A0A077Z580_TRITR Loading...

Stress-activated protein kinase JNK

Responds to activation by environmental stress and pro-inflammatory cytokines by phosphorylating a number of transcription factors, and thus regulates transcriptional activity.

AlphaFold DB , UniProt , Accession A0A077Z580, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 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	37.4	Very low	38.5	Very low	244 Å²	244	114 Å²	114	100%	1.202	72%	0.72	S	S	*	*				0	92.6	0	-73.1	178.1	176.7	0	0	107.3
2	S	34.3	Very low	39.2	Very low	116 Å²	116	117.1 Å²	117.1	81%	0.811	71%	0.707	S	S	*	*			trans	-154.2	75.4	-172.2	49.6	0	0	0	0	109
3	S	33.5	Very low	40.3	Very low	113 Å²	113	112.2 Å²	112.2	79%	0.79	68%	0.682	S	S	*	*			trans	-173.7	63.3	174.4	50.8	0	0	0	0	112.5
4	V	36.7	Very low	41.9	Very low	136 Å²	136	106.4 Å²	106.4	82%	0.824	66%	0.655	S	S	*	*			trans	-152	80.7	156.9	-170.3	0	0	0	0	108.7
5	N	36.5	Very low	44	Very low	150 Å²	150	100.3 Å²	100.3	80%	0.802	62%	0.616	S	S	*	*			trans	-154.4	7.7	167	-105.9	-7.6	0	0	0	114.2
6	G	35	Very low	45.7	Very low	48 Å²	48	103.5 Å²	103.5	50%	0.495	62%	0.622	S	S	.	*	S	Bend	trans	-87.8	-22.8	-178.6	0	0	0	0	0	115.1
7	S	38.4	Very low	48	Very low	104 Å²	104	104.5 Å²	104.5	73%	0.727	62%	0.618	S	S	*	*	H	α-helix	trans	-87.7	-20.6	-168.8	-42.6	0	0	0	0	114.4
8	S	45.5	Very low	50.4	Low	74 Å²	74	102.2 Å²	102.2	52%	0.517	60%	0.601	S	S	.	*	H	α-helix	trans	-85.3	-23.3	-177.2	73.6	0	0	0	0	113.9	R12	S8-R12 WeakPolarHBondContact O-CB 3.44Å; S8-R12 WeakPolarHBondContact O-CG 3.35Å; S8-R12 PolarHBondContact O-N 3.2Å
9	S	41.2	Very low	52.8	Low	68 Å²	68	97.8 Å²	97.8	48%	0.476	57%	0.573	S	S	.	*	H	α-helix	trans	-77.7	-39.8	-179.1	61.4	0	0	0	0	112.8	R12 S13	S9-R12 PolarHBondContact O-N 3.46Å; S9-S13 PolarHBondContact O-N 2.68Å
10	L	36	Very low	54.9	Low	129 Å²	129	96 Å²	96	68%	0.675	56%	0.557	S	S	*	*	H	α-helix	trans	-67	-39.5	176.2	-88.4	134	0	0	0	112.6	R12 S13 G14	L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 3.41Å; L10-S13 PolarHBondContact O-N 2.91Å; L10-S13 PolarHBondContact O-OG 3.25Å; L10-S13 VanDerWaalsContact O-OG 3.11Å; L10-G14 PolarHBondContact O-N 3.11Å
11	A	48.6	Very low	56.9	Low	72 Å²	72	96.6 Å²	96.6	60%	0.595	55%	0.554	S	S	*	*	H	α-helix	trans	-66.6	-33.6	174.5	0	0	0	0	0	112
12	R	46.9	Very low	59.6	Low	151 Å²	151	87.3 Å²	87.3	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-68.5	-39.8	175.3	-87.3	179.5	160.7	-171.8	-8	112.9	S8 S9 L10 Q16	S8-R12 WeakPolarHBondContact O-CB 3.44Å; S8-R12 WeakPolarHBondContact O-CG 3.35Å; S8-R12 PolarHBondContact O-N 3.2Å; S9-R12 PolarHBondContact O-N 3.46Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 3.41Å; R12-Q16 PolarHBondContact O-N 3.41Å
13	S	53.9	Low	62.5	Low	54 Å²	54	88.6 Å²	88.6	38%	0.378	50%	0.502	S	S	.	.	H	α-helix	trans	-67.2	-45.4	-178.8	71.7	0	0	0	0	111.9	S9 L10 H15 Q16 E17	S9-S13 PolarHBondContact O-N 2.68Å; L10-S13 PolarHBondContact O-N 2.91Å; L10-S13 PolarHBondContact O-OG 3.25Å; L10-S13 VanDerWaalsContact O-OG 3.11Å; S13-H15 VanDerWaalsContact C-N 3.25Å; S13-H15 PolarHBondContact O-N 3.35Å; S13-Q16 PolarHBondContact O-N 3.36Å; S13-E17 WeakPolarHBondContact O-CG 3.4Å; S13-E17 PolarHBondContact O-N 2.98Å
14	G	63.2	Low	65.4	Low	30 Å²	30	83.8 Å²	83.8	31%	0.309	47%	0.468	S	S	.	.	H	α-helix	trans	-62.7	-30.2	-179.4	0	0	0	0	0	113.7	L10 Q18	L10-G14 PolarHBondContact O-N 3.11Å; G14-Q18 WeakPolarHBondContact O-CG 3.02Å
15	H	72.3	Confident	67.7	Low	15 Å²	15	81.2 Å²	81.2	7%	0.069	46%	0.456	C	S	.	.	H	α-helix	trans	-74.1	-47.1	177.3	179.1	72.1	0	0	0	113	S13 E17 Q18 F19 K105 Y379	S13-H15 VanDerWaalsContact C-N 3.25Å; S13-H15 PolarHBondContact O-N 3.35Å; H15-E17 PolarHBondContact O-N 2.96Å; H15-Q18 WeakPolarHBondContact O-CB 3.43Å; H15-Q18 PolarHBondContact O-N 3.27Å; H15-F19 AromaticContact CE1-CE2 3.25Å; H15-F19 WeakPolarHBondContact CE1-CE2 3.2Å; H15-F19 AromaticContact CE1-CZ 3.73Å; H15-F19 AromaticContact ND1-CE2 3.78Å; H15-F19 AromaticContact NE2-CE2 3.48Å; H15-F19 WeakPolarHBondContact NE2-CE2 3.39Å; H15-F19 VanDerWaalsContact O-CD2 3.32Å; H15-F19 WeakPolarHBondContact O-CD2 3.25Å; H15-K105 VanDerWaalsContact CD2-CE 3.43Å; H15-K105 WeakPolarHBondContact CD2-CE 3.17Å; H15-K105 WeakPolarHBondContact CD2-CG 3.43Å; H15-K105 WeakPolarHBondContact CE1-CE 3.36Å; H15-K105 PolarHBondContact CE1-NZ 3.4Å; H15-K105 WeakPolarHBondContact ND1-CE 3.33Å; H15-K105 PolarHBondContact ND1-NZ 3.25Å; H15-K105 WeakPolarHBondContact NE2-CD 3.49Å; H15-K105 VanDerWaalsContact NE2-CE 3.31Å; H15-K105 WeakPolarHBondContact NE2-CE 3.13Å; H15-Y379 AromaticContact CE1-CE1 4Å; H15-Y379 AromaticContact CE1-CZ 3.87Å; H15-Y379 PolarHBondContact CE1-OH 3Å; H15-Y379 AromaticContact ND1-CE1 3.76Å; H15-Y379 AromaticContact ND1-CZ 3.65Å; H15-Y379 PolarHBondContact ND1-OH 2.85Å
16	Q	72.4	Confident	70.2	Confident	152 Å²	152	81.3 Å²	81.3	71%	0.71	46%	0.457	S	S	*	.	H	α-helix	trans	-61.1	-32.4	177.1	-86.5	-176.2	-15.9	0	0	111.6	R12 S13 Q18 F19	R12-Q16 PolarHBondContact O-N 3.41Å; S13-Q16 PolarHBondContact O-N 3.36Å; Q16-Q18 PolarHBondContact O-N 2.92Å; Q16-F19 PolarHBondContact O-N 3.48Å; Q16-F19 VanDerWaalsContact O-N 3.15Å
17	E	84.3	Confident	72.9	Confident	120 Å²	120	81.1 Å²	81.1	56%	0.561	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.5	174.6	-74	177.5	-171.7	0	0	113.9	S13 H15 F19 K33	S13-E17 WeakPolarHBondContact O-CG 3.4Å; S13-E17 PolarHBondContact O-N 2.98Å; H15-E17 PolarHBondContact O-N 2.96Å; E17-F19 VanDerWaalsContact C-N 3.35Å; E17-K33 WeakPolarHBondContact O-CD 3.36Å; E17-K33 WeakPolarHBondContact O-CE 3.48Å; E17-K33 PolarHBondContact O-NZ 3.22Å
18	Q	91.5	Very high	75.5	Confident	64 Å²	64	83.1 Å²	83.1	30%	0.299	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.3	175.5	-59.8	-57.1	-38.1	0	0	113.4	G14 H15 Q16 L32 K33 Y379	G14-Q18 WeakPolarHBondContact O-CG 3.02Å; H15-Q18 WeakPolarHBondContact O-CB 3.43Å; H15-Q18 PolarHBondContact O-N 3.27Å; Q16-Q18 PolarHBondContact O-N 2.92Å; Q18-L32 HydrophobicContact CB-CD2 4.11Å; Q18-L32 CarbonylContact O-C 3.53Å; Q18-L32 WeakPolarHBondContact O-CA 3.32Å; Q18-K33 WeakPolarHBondContact O-CG 3.32Å; Q18-K33 PolarHBondContact O-N 3.47Å; Q18-Y379 HydrophobicContact CB-CD1 3.76Å; Q18-Y379 HydrophobicContact CB-CE1 3.99Å; Q18-Y379 HydrophobicContact CG-CD1 3.71Å; Q18-Y379 HydrophobicContact CG-CE1 4.06Å
19	F	95.3	Very high	77.8	Confident	19 Å²	19	79.6 Å²	79.6	8%	0.083	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	153.9	-178	-63.7	-97.9	0	0	0	111.2	H15 Q16 E17 I31 L32 F101 P103 Y379	H15-F19 AromaticContact CE1-CE2 3.25Å; H15-F19 WeakPolarHBondContact CE1-CE2 3.2Å; H15-F19 AromaticContact CE1-CZ 3.73Å; H15-F19 AromaticContact ND1-CE2 3.78Å; H15-F19 AromaticContact NE2-CE2 3.48Å; H15-F19 WeakPolarHBondContact NE2-CE2 3.39Å; H15-F19 VanDerWaalsContact O-CD2 3.32Å; H15-F19 WeakPolarHBondContact O-CD2 3.25Å; Q16-F19 PolarHBondContact O-N 3.48Å; Q16-F19 VanDerWaalsContact O-N 3.15Å; E17-F19 VanDerWaalsContact C-N 3.35Å; F19-I31 CarbonylContact C-O 3.59Å; F19-I31 VanDerWaalsContact CA-O 3.23Å; F19-I31 WeakPolarHBondContact CA-O 3.26Å; F19-L32 HydrophobicContact CD1-CD2 4.07Å; F19-L32 HydrophobicContact CD1-CG 4.28Å; F19-L32 HydrophobicContact CD2-CD2 4.25Å; F19-L32 HydrophobicContact CE1-CD2 3.54Å; F19-L32 HydrophobicContact CE1-CG 3.73Å; F19-L32 HydrophobicContact CE2-CD2 3.7Å; F19-L32 HydrophobicContact CG-CD2 4.41Å; F19-L32 HydrophobicContact CZ-CD2 3.33Å; F19-L32 HydrophobicContact CZ-CG 3.99Å; F19-F101 AromaticContact CE1-CD2 3.69Å; F19-F101 HydrophobicContact CE1-CD2 3.69Å; F19-F101 AromaticContact CE1-CE2 3.89Å; F19-F101 HydrophobicContact CE1-CE2 3.89Å; F19-F101 HydrophobicContact CZ-CD2 4.36Å; F19-P103 HydrophobicContact CD1-CB 3.77Å; F19-P103 HydrophobicContact CE1-CB 3.76Å; F19-P103 HydrophobicContact CG-CB 4.19Å; F19-P103 HydrophobicContact CZ-CB 4.21Å; F19-Y379 HydrophobicContact CE2-CE1 4.18Å; F19-Y379 HydrophobicContact CZ-CE1 4.39Å
20	Y	95.9	Very high	80.4	Confident	61 Å²	61	78.6 Å²	78.6	24%	0.239	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.5	164.1	76.4	-75.6	0	0	0	109.2	I22 I31 K33 Y35 L38	Y20-I22 HydrophobicContact CD2-CB 4.42Å; Y20-I22 HydrophobicContact CE2-CB 3.9Å; Y20-I22 HydrophobicContact CE2-CD1 4.31Å; Y20-I22 HydrophobicContact CE2-CG2 4.1Å; Y20-I31 VanDerWaalsContact CD1-O 3.26Å; Y20-I31 WeakPolarHBondContact CD1-O 3.23Å; Y20-I31 HydrophobicContact CE1-CB 4.07Å; Y20-I31 HydrophobicContact CE1-CG2 4.08Å; Y20-I31 PolarHBondContact N-O 3.36Å; Y20-I31 PolarHBondContact O-N 2.88Å; Y20-K33 HydrophobicContact CD1-CG 4.12Å; Y20-Y35 VanDerWaalsContact CE1-O 3.31Å; Y20-Y35 WeakPolarHBondContact CE1-O 3.35Å; Y20-Y35 PolarHBondContact OH-O 2.83Å; Y20-L38 WeakPolarHBondContact OH-CD1 3.44Å
21	Q	95.5	Very high	83.3	Confident	109 Å²	109	72.4 Å²	72.4	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.7	178.2	179.3	176.6	-50.6	0	0	110.2	R28 M29 L30	Q21-R28 HydrophobicContact CG-CG 4.02Å; Q21-M29 WeakPolarHBondContact CA-O 3.41Å; Q21-L30 HydrophobicContact CB-CD2 4.11Å
22	I	95.7	Very high	85.6	Confident	49 Å²	49	69.1 Å²	69.1	25%	0.251	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.6	172	-171.2	165.8	0	0	0	109.8	Y20 V24 M29 I31 L38	Y20-I22 HydrophobicContact CD2-CB 4.42Å; Y20-I22 HydrophobicContact CE2-CB 3.9Å; Y20-I22 HydrophobicContact CE2-CD1 4.31Å; Y20-I22 HydrophobicContact CE2-CG2 4.1Å; I22-V24 HydrophobicContact CD1-CG2 4.37Å; I22-V24 HydrophobicContact CG1-CG2 4.13Å; I22-V24 HydrophobicContact CG2-CG2 4.27Å; I22-M29 HydrophobicContact CG2-CB 4.1Å; I22-M29 PolarHBondContact N-O 2.83Å; I22-M29 PolarHBondContact O-N 2.83Å; I22-I31 HydrophobicContact CG2-CG1 4.46Å; I22-L38 HydrophobicContact CD1-CB 4.36Å; I22-L38 HydrophobicContact CG2-CD2 4.05Å
23	E	95.1	Very high	88	Confident	142 Å²	142	67.1 Å²	67.1	66%	0.664	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	125	173.5	-169.1	165.1	-167.6	0	0	108.9
24	V	92.7	Very high	90	Very high	13 Å²	13	66 Å²	66	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.1	-178.9	-176.6	0	0	0	0	107.9	I22 D26 T27 M29 L38 A40 L48	I22-V24 HydrophobicContact CD1-CG2 4.37Å; I22-V24 HydrophobicContact CG1-CG2 4.13Å; I22-V24 HydrophobicContact CG2-CG2 4.27Å; V24-D26 VanDerWaalsContact C-N 3.34Å; V24-D26 PolarHBondContact O-N 3.15Å; V24-T27 PolarHBondContact N-O 2.98Å; V24-T27 WeakPolarHBondContact O-CB 3.35Å; V24-T27 PolarHBondContact O-N 2.92Å; V24-M29 HydrophobicContact CB-SD 4.09Å; V24-M29 HydrophobicContact CG2-SD 4.04Å; V24-L38 HydrophobicContact CG2-CB 4.31Å; V24-A40 HydrophobicContact CG1-CB 3.79Å; V24-L48 HydrophobicContact CB-CD2 4.08Å; V24-L48 HydrophobicContact CG1-CD2 4.18Å; V24-L48 WeakPolarHBondContact O-CD2 3.43Å
25	S	86.3	Confident	91.6	Very high	82 Å²	82	64.6 Å²	64.6	57%	0.573	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	55.2	-177.8	-56.2	0	0	0	0	112.5	T27 A40	S25-T27 PolarHBondContact O-N 2.86Å; S25-A40 WeakPolarHBondContact OG-CB 3.31Å
26	D	88.8	Confident	92.8	Very high	151 Å²	151	68.2 Å²	68.2	81%	0.807	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	12.2	-179.2	-47	-42.9	0	0	0	115.3	V24	V24-D26 VanDerWaalsContact C-N 3.34Å; V24-D26 PolarHBondContact O-N 3.15Å
27	T	90.5	Very high	94	Very high	44 Å²	44	66.5 Å²	66.5	27%	0.27	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.6	175.4	-57.6	0	0	0	0	110.1	V24 S25 M29 L48 K65	V24-T27 PolarHBondContact N-O 2.98Å; V24-T27 WeakPolarHBondContact O-CB 3.35Å; V24-T27 PolarHBondContact O-N 2.92Å; S25-T27 PolarHBondContact O-N 2.86Å; T27-M29 HydrophobicContact CG2-CG 4.35Å; T27-M29 PolarHBondContact O-N 3.2Å; T27-L48 HydrophobicContact CG2-CD2 4.12Å; T27-K65 HydrophobicContact CG2-CD 4.02Å
28	R	93.5	Very high	94.6	Very high	147 Å²	147	61.9 Å²	61.9	56%	0.555	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	124.8	169.9	-175.6	178.4	172	-175.2	0.7	110.3	Q21 K65	Q21-R28 HydrophobicContact CG-CG 4.02Å; R28-K65 PolarHBondContact O-NZ 3.17Å
29	M	95.3	Very high	94.8	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.6	176.2	-54.9	178.9	76.1	0	0	109.7	Q21 I22 V24 T27 I31 L38 L48 C50 K65 Y114	Q21-M29 WeakPolarHBondContact CA-O 3.41Å; I22-M29 HydrophobicContact CG2-CB 4.1Å; I22-M29 PolarHBondContact N-O 2.83Å; I22-M29 PolarHBondContact O-N 2.83Å; V24-M29 HydrophobicContact CB-SD 4.09Å; V24-M29 HydrophobicContact CG2-SD 4.04Å; T27-M29 HydrophobicContact CG2-CG 4.35Å; T27-M29 PolarHBondContact O-N 3.2Å; M29-I31 HydrophobicContact CB-CD1 4.09Å; M29-I31 HydrophobicContact CB-CG1 3.71Å; M29-I31 HydrophobicContact CE-CD1 3.84Å; M29-I31 HydrophobicContact CE-CG1 4.42Å; M29-L38 HydrophobicContact CE-CD2 4.38Å; M29-L38 HydrophobicContact SD-CD2 4.29Å; M29-L48 HydrophobicContact SD-CD2 3.7Å; M29-C50 VanDerWaalsContact SD-SG 3.68Å; M29-K65 HydrophobicContact CE-CB 3.98Å; M29-K65 HydrophobicContact CG-CD 4.17Å; M29-Y114 HydrophobicContact CB-CE1 4.21Å; M29-Y114 HydrophobicContact CE-CD1 4.23Å; M29-Y114 HydrophobicContact CE-CE1 3.91Å
30	L	95.8	Very high	94.7	Very high	46 Å²	46	66.6 Å²	66.6	24%	0.241	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	102.5	172.2	-81.3	161.5	0	0	0	106.6	Q21 P103 Y114	Q21-L30 HydrophobicContact CB-CD2 4.11Å; L30-P103 HydrophobicContact CB-CB 3.88Å; L30-P103 HydrophobicContact CB-CG 3.8Å; L30-P103 HydrophobicContact CD1-CB 4.43Å; L30-P103 HydrophobicContact CD1-CG 4.23Å; L30-Y114 PolarHBondContact N-OH 3.27Å; L30-Y114 VanDerWaalsContact O-CE2 3.32Å; L30-Y114 WeakPolarHBondContact O-CE2 3.41Å
31	I	96.4	Very high	94.4	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.8	-164.5	-61.5	-66.4	0	0	0	109.7	F19 Y20 I22 M29 Y35 L38 I63 F101 Y114	F19-I31 CarbonylContact C-O 3.59Å; F19-I31 VanDerWaalsContact CA-O 3.23Å; F19-I31 WeakPolarHBondContact CA-O 3.26Å; Y20-I31 VanDerWaalsContact CD1-O 3.26Å; Y20-I31 WeakPolarHBondContact CD1-O 3.23Å; Y20-I31 HydrophobicContact CE1-CB 4.07Å; Y20-I31 HydrophobicContact CE1-CG2 4.08Å; Y20-I31 PolarHBondContact N-O 3.36Å; Y20-I31 PolarHBondContact O-N 2.88Å; I22-I31 HydrophobicContact CG2-CG1 4.46Å; M29-I31 HydrophobicContact CB-CD1 4.09Å; M29-I31 HydrophobicContact CB-CG1 3.71Å; M29-I31 HydrophobicContact CE-CD1 3.84Å; M29-I31 HydrophobicContact CE-CG1 4.42Å; I31-Y35 HydrophobicContact CG2-CD2 4.02Å; I31-Y35 HydrophobicContact CG2-CG 4.35Å; I31-L38 HydrophobicContact CB-CD2 4.5Å; I31-L38 HydrophobicContact CD1-CD2 4.43Å; I31-L38 HydrophobicContact CG1-CD2 3.84Å; I31-L38 HydrophobicContact CG2-CD2 4.31Å; I31-I63 HydrophobicContact CD1-CG2 4.28Å; I31-I63 HydrophobicContact CG2-CD1 4.45Å; I31-F101 HydrophobicContact CD1-CE2 4.4Å; I31-F101 HydrophobicContact CD1-CZ 4.05Å; I31-F101 HydrophobicContact CG2-CZ 4.45Å; I31-Y114 HydrophobicContact CD1-CD1 3.33Å; I31-Y114 HydrophobicContact CD1-CE1 3.28Å; I31-Y114 HydrophobicContact CD1-CG 4.07Å; I31-Y114 HydrophobicContact CG1-CE1 4.39Å
32	L	96.9	Very high	93.7	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	135.9	173.4	-69.4	169.7	0	0	0	110.8	Q18 F19 R34 Y35 F101 V378 Y379	Q18-L32 HydrophobicContact CB-CD2 4.11Å; Q18-L32 CarbonylContact O-C 3.53Å; Q18-L32 WeakPolarHBondContact O-CA 3.32Å; F19-L32 HydrophobicContact CD1-CD2 4.07Å; F19-L32 HydrophobicContact CD1-CG 4.28Å; F19-L32 HydrophobicContact CD2-CD2 4.25Å; F19-L32 HydrophobicContact CE1-CD2 3.54Å; F19-L32 HydrophobicContact CE1-CG 3.73Å; F19-L32 HydrophobicContact CE2-CD2 3.7Å; F19-L32 HydrophobicContact CG-CD2 4.41Å; F19-L32 HydrophobicContact CZ-CD2 3.33Å; F19-L32 HydrophobicContact CZ-CG 3.99Å; L32-R34 HydrophobicContact CB-CG 3.98Å; L32-R34 PolarHBondContact O-N 3.39Å; L32-Y35 HydrophobicContact CB-CD2 3.91Å; L32-Y35 HydrophobicContact CB-CE2 4.1Å; L32-Y35 HydrophobicContact CD1-CE2 4.09Å; L32-Y35 PolarHBondContact O-N 2.88Å; L32-F101 HydrophobicContact CD1-CB 4.2Å; L32-F101 HydrophobicContact CD1-CD1 3.68Å; L32-F101 HydrophobicContact CD1-CD2 4.12Å; L32-F101 HydrophobicContact CD1-CE1 4.01Å; L32-F101 HydrophobicContact CD1-CE2 4.42Å; L32-F101 HydrophobicContact CD1-CG 3.73Å; L32-F101 HydrophobicContact CD1-CZ 4.36Å; L32-F101 HydrophobicContact CG-CD1 4.38Å; L32-F101 HydrophobicContact CG-CD2 4.07Å; L32-F101 HydrophobicContact CG-CE1 4.41Å; L32-F101 HydrophobicContact CG-CE2 4.1Å; L32-F101 HydrophobicContact CG-CG 4.2Å; L32-F101 HydrophobicContact CG-CZ 4.27Å; L32-V378 HydrophobicContact CD1-CG1 3.65Å; L32-V378 WeakPolarHBondContact CD1-O 3.49Å; L32-Y379 HydrophobicContact CD2-CD1 3.49Å; L32-Y379 VanDerWaalsContact CD2-CD1 3.49Å; L32-Y379 HydrophobicContact CD2-CE1 3.58Å
33	K	95.8	Very high	92.8	Very high	108 Å²	108	66.9 Å²	66.9	47%	0.47	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.5	-179.6	-76.7	176.8	174.7	174.4	0	114.5	E17 Q18 Y20 Y35 Q36	E17-K33 WeakPolarHBondContact O-CD 3.36Å; E17-K33 WeakPolarHBondContact O-CE 3.48Å; E17-K33 PolarHBondContact O-NZ 3.22Å; Q18-K33 WeakPolarHBondContact O-CG 3.32Å; Q18-K33 PolarHBondContact O-N 3.47Å; Y20-K33 HydrophobicContact CD1-CG 4.12Å; K33-Y35 PolarHBondContact O-N 2.82Å; K33-Q36 PolarHBondContact O-NE2 2.97Å
34	R	96.4	Very high	91.5	Very high	30 Å²	30	62.5 Å²	62.5	11%	0.113	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.7	173.8	71.9	-177.1	-70.2	172.1	-1.2	113.2	L32 D54 V55 V56 D377 V378	L32-R34 HydrophobicContact CB-CG 3.98Å; L32-R34 PolarHBondContact O-N 3.39Å; R34-D54 IonicContact CZ-OD1 2.67Å; R34-D54 IonicContact CZ-OD2 3.08Å; R34-D54 IonicContact NE-OD1 3.44Å; R34-D54 PolarHBondContact NE-OD1 2.77Å; R34-D54 IonicContact NE-OD2 2.61Å; R34-D54 IonicContact NH2-OD1 3.42Å; R34-D54 PolarHBondContact NH2-OD1 2.85Å; R34-D54 IonicContact NH2-OD2 3.58Å; R34-D54 PolarHBondContact NH2-OD2 2.74Å; R34-D54 WeakPolarHBondContact O-CA 3.48Å; R34-V55 HydrophobicContact CB-CG2 4.33Å; R34-V55 WeakPolarHBondContact O-CG2 3.32Å; R34-V55 PolarHBondContact O-N 3.47Å; R34-V56 HydrophobicContact CB-CG2 3.77Å; R34-D377 PolarHBondContact NH1-O 3.24Å; R34-V378 WeakPolarHBondContact CD-O 3.4Å; R34-V378 PolarHBondContact NH1-O 2.85Å
35	Y	97.9	Very high	90.3	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.008	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.6	179.4	-57.8	-57.7	0	0	0	109.6	Y20 I31 L32 K33 N53 D54 V61 I63 N99 F101 V116	Y20-Y35 VanDerWaalsContact CE1-O 3.31Å; Y20-Y35 WeakPolarHBondContact CE1-O 3.35Å; Y20-Y35 PolarHBondContact OH-O 2.83Å; I31-Y35 HydrophobicContact CG2-CD2 4.02Å; I31-Y35 HydrophobicContact CG2-CG 4.35Å; L32-Y35 HydrophobicContact CB-CD2 3.91Å; L32-Y35 HydrophobicContact CB-CE2 4.1Å; L32-Y35 HydrophobicContact CD1-CE2 4.09Å; L32-Y35 PolarHBondContact O-N 2.88Å; K33-Y35 PolarHBondContact O-N 2.82Å; Y35-N53 WeakPolarHBondContact CA-O 3.14Å; Y35-D54 HydrophobicContact CD1-CB 3.94Å; Y35-D54 HydrophobicContact CE1-CB 3.81Å; Y35-V61 HydrophobicContact CD1-CG2 3.84Å; Y35-V61 HydrophobicContact CE1-CG2 3.96Å; Y35-I63 HydrophobicContact CD1-CD1 3.94Å; Y35-I63 HydrophobicContact CD2-CD1 3.83Å; Y35-I63 HydrophobicContact CG-CD1 3.5Å; Y35-N99 VanDerWaalsContact OH-CB 3.26Å; Y35-N99 WeakPolarHBondContact OH-CB 3.46Å; Y35-N99 PolarHBondContact OH-ND2 3.21Å; Y35-F101 HydrophobicContact CD2-CE1 4.03Å; Y35-F101 HydrophobicContact CD2-CZ 4.23Å; Y35-F101 HydrophobicContact CE2-CD1 4.27Å; Y35-F101 AromaticContact CE2-CE1 3.54Å; Y35-F101 HydrophobicContact CE2-CE1 3.54Å; Y35-F101 HydrophobicContact CE2-CZ 4.19Å; Y35-V116 HydrophobicContact CE1-CG1 4Å; Y35-V116 HydrophobicContact CE1-CG2 4.48Å; Y35-V116 HydrophobicContact CE2-CG2 3.93Å
36	Q	97.3	Very high	89.6	Confident	90 Å²	90	65.1 Å²	65.1	42%	0.421	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	167.4	-176	-61.2	-171	-0.3	0	0	111.5	K33 L38 A52 N53 V55	K33-Q36 PolarHBondContact O-NE2 2.97Å; Q36-L38 PolarHBondContact O-N 3.39Å; Q36-A52 CarbonylContact O-C 3.51Å; Q36-A52 WeakPolarHBondContact O-CA 3.13Å; Q36-N53 PolarHBondContact N-O 2.99Å; Q36-N53 PolarHBondContact O-N 2.96Å; Q36-V55 HydrophobicContact CB-CG1 4.34Å; Q36-V55 HydrophobicContact CG-CG1 3.9Å
37	N	96.4	Very high	89.3	Confident	117 Å²	117	58.2 Å²	58.2	63%	0.626	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.7	46.4	176.7	-55.2	-35.6	0	0	0	113.8	K39 N53	N37-K39 PolarHBondContact O-N 3.07Å; N37-N53 PolarHBondContact ND2-ND2 2.8Å; N37-N53 VanDerWaalsContact ND2-ND2 3.2Å
38	L	97.2	Very high	89.2	Confident	22 Å²	22	56.5 Å²	56.5	12%	0.115	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	132.5	-178.5	-84.4	65.2	0	0	0	111.4	Y20 I22 V24 M29 I31 Q36 C50 S51 A52	Y20-L38 WeakPolarHBondContact OH-CD1 3.44Å; I22-L38 HydrophobicContact CD1-CB 4.36Å; I22-L38 HydrophobicContact CG2-CD2 4.05Å; V24-L38 HydrophobicContact CG2-CB 4.31Å; M29-L38 HydrophobicContact CE-CD2 4.38Å; M29-L38 HydrophobicContact SD-CD2 4.29Å; I31-L38 HydrophobicContact CB-CD2 4.5Å; I31-L38 HydrophobicContact CD1-CD2 4.43Å; I31-L38 HydrophobicContact CG1-CD2 3.84Å; I31-L38 HydrophobicContact CG2-CD2 4.31Å; Q36-L38 PolarHBondContact O-N 3.39Å; L38-C50 HydrophobicContact CB-CB 4.47Å; L38-C50 HydrophobicContact CD2-CB 4.48Å; L38-C50 HydrophobicContact CG-CB 4.38Å; L38-S51 VanDerWaalsContact CA-O 3.25Å; L38-S51 WeakPolarHBondContact CA-O 3.41Å; L38-A52 HydrophobicContact CD1-CB 3.73Å; L38-A52 HydrophobicContact CG-CB 4.06Å
39	K	95.3	Very high	89.2	Confident	147 Å²	147	51.1 Å²	51.1	64%	0.639	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	129.8	174	-177.1	-179.1	177.2	-176.1	0	109.8	N37 I41 C50 S51	N37-K39 PolarHBondContact O-N 3.07Å; K39-I41 PolarHBondContact O-N 3.31Å; K39-C50 CarbonylContact O-C 3.58Å; K39-C50 WeakPolarHBondContact O-CA 3.48Å; K39-S51 PolarHBondContact N-O 3.43Å; K39-S51 PolarHBondContact O-N 3.4Å
40	A	93.2	Very high	89.2	Confident	35 Å²	35	51.1 Å²	51.1	29%	0.289	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	129.7	173.9	0	0	0	0	0	110.7	V24 S25 L48	V24-A40 HydrophobicContact CG1-CB 3.79Å; S25-A40 WeakPolarHBondContact OG-CB 3.31Å; A40-L48 HydrophobicContact CB-CD1 4.28Å
41	I	89.7	Confident	89.2	Confident	90 Å²	90	50 Å²	50	46%	0.462	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-18.7	175.6	59.5	171.6	0	0	0	112.8	K39 V49 A62 L119	K39-I41 PolarHBondContact O-N 3.31Å; I41-V49 HydrophobicContact CD1-CG1 3.84Å; I41-V49 HydrophobicContact CG1-CB 4.15Å; I41-V49 HydrophobicContact CG1-CG1 3.81Å; I41-V49 WeakPolarHBondContact CG1-O 3.1Å; I41-V49 PolarHBondContact N-O 3.47Å; I41-A62 HydrophobicContact CD1-CB 4.35Å; I41-L119 HydrophobicContact CD1-CD1 3.71Å
42	G	81.7	Confident	89.3	Confident	31 Å²	31	50.1 Å²	50.1	32%	0.32	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	146.6	174.5	0	0	0	0	0	112.1	V49	G42-V49 PolarHBondContact N-O 3.28Å; G42-V49 VanDerWaalsContact N-O 3.15Å; G42-V49 PolarHBondContact O-N 3.45Å
43	S	76.1	Confident	89.4	Confident	105 Å²	105	53.2 Å²	53.2	73%	0.734	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.6	174	59.4	0	0	0	0	108.9
44	G	68.9	Low	89.4	Confident	50 Å²	50	48.5 Å²	48.5	52%	0.515	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	-172.4	177.7	0	0	0	0	0	112.8	Q46 G47	G44-Q46 PolarHBondContact O-N 2.79Å; G44-G47 PolarHBondContact N-O 2.73Å; G44-G47 PolarHBondContact O-N 2.96Å
45	A	67.3	Low	89.5	Confident	101 Å²	101	50.9 Å²	50.9	84%	0.835	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.7	-178.5	0	0	0	0	0	114
46	Q	71.2	Confident	89.3	Confident	48 Å²	48	54.3 Å²	54.3	22%	0.224	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.6	-178.4	-58	172.7	29.7	0	0	113.1	G44 L66 S67 R78 D178	G44-Q46 PolarHBondContact O-N 2.79Å; Q46-L66 WeakPolarHBondContact O-CA 3.48Å; Q46-S67 PolarHBondContact O-N 3.06Å; Q46-S67 VanDerWaalsContact O-N 3.1Å; Q46-R78 VanDerWaalsContact CD-NH2 3.29Å; Q46-D178 PolarHBondContact NE2-OD2 2.96Å; Q46-D178 PolarHBondContact OE1-OD1 2.88Å; Q46-D178 PolarHBondContact OE1-OD2 3.34Å
47	G	82.1	Confident	89.2	Confident	7 Å²	7	52.9 Å²	52.9	7%	0.072	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.7	-162.8	175.4	0	0	0	0	0	114.8	G44 K65 S67	G44-G47 PolarHBondContact N-O 2.73Å; G44-G47 PolarHBondContact O-N 2.96Å; G47-K65 WeakPolarHBondContact CA-O 3.31Å; G47-S67 WeakPolarHBondContact CA-OG 3.43Å
48	L	89.3	Confident	89.2	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.037	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.4	-174.3	177.9	66.7	0	0	0	109.7	V24 T27 M29 A40 K64 K65	V24-L48 HydrophobicContact CB-CD2 4.08Å; V24-L48 HydrophobicContact CG1-CD2 4.18Å; V24-L48 WeakPolarHBondContact O-CD2 3.43Å; T27-L48 HydrophobicContact CG2-CD2 4.12Å; M29-L48 HydrophobicContact SD-CD2 3.7Å; A40-L48 HydrophobicContact CB-CD1 4.28Å; L48-K64 CarbonylContact O-C 3.41Å; L48-K64 WeakPolarHBondContact O-CA 3.45Å; L48-K65 PolarHBondContact N-O 3Å; L48-K65 PolarHBondContact O-N 2.9Å
49	V	92.1	Very high	89.1	Confident	35 Å²	35	55.2 Å²	55.2	21%	0.212	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.5	172.4	-169.4	0	0	0	0	108.7	I41 G42 A62 I63 K64	I41-V49 HydrophobicContact CD1-CG1 3.84Å; I41-V49 HydrophobicContact CG1-CB 4.15Å; I41-V49 HydrophobicContact CG1-CG1 3.81Å; I41-V49 WeakPolarHBondContact CG1-O 3.1Å; I41-V49 PolarHBondContact N-O 3.47Å; G42-V49 PolarHBondContact N-O 3.28Å; G42-V49 VanDerWaalsContact N-O 3.15Å; G42-V49 PolarHBondContact O-N 3.45Å; V49-A62 HydrophobicContact CG1-CB 4.29Å; V49-I63 WeakPolarHBondContact CA-O 3.45Å; V49-K64 HydrophobicContact CG2-CB 4.22Å; V49-K64 HydrophobicContact CG2-CG 4.09Å
50	C	95.7	Very high	89.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.3	175.9	-61.2	0	0	0	0	110.1	M29 L38 K39 A62 I63	M29-C50 VanDerWaalsContact SD-SG 3.68Å; L38-C50 HydrophobicContact CB-CB 4.47Å; L38-C50 HydrophobicContact CD2-CB 4.48Å; L38-C50 HydrophobicContact CG-CB 4.38Å; K39-C50 CarbonylContact O-C 3.58Å; K39-C50 WeakPolarHBondContact O-CA 3.48Å; C50-A62 CarbonylContact O-C 3.52Å; C50-A62 WeakPolarHBondContact O-CA 3.37Å; C50-I63 PolarHBondContact N-O 2.9Å; C50-I63 PolarHBondContact O-N 3.36Å
51	S	96.7	Very high	89.4	Confident	22 Å²	22	49.7 Å²	49.7	15%	0.154	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	152.1	157.8	62.8	0	0	0	0	109.6	L38 K39 V61	L38-S51 VanDerWaalsContact CA-O 3.25Å; L38-S51 WeakPolarHBondContact CA-O 3.41Å; K39-S51 PolarHBondContact N-O 3.43Å; K39-S51 PolarHBondContact O-N 3.4Å; S51-V61 CarbonylContact C-O 3.58Å; S51-V61 VanDerWaalsContact CA-O 3.3Å; S51-V61 WeakPolarHBondContact CA-O 3.44Å
52	A	98.2	Very high	89.7	Confident	2 Å²	2	45.8 Å²	45.8	2%	0.017	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	160.2	173.3	0	0	0	0	0	110.3	Q36 L38 S60 V61 I63	Q36-A52 CarbonylContact O-C 3.51Å; Q36-A52 WeakPolarHBondContact O-CA 3.13Å; L38-A52 HydrophobicContact CD1-CB 3.73Å; L38-A52 HydrophobicContact CG-CB 4.06Å; A52-S60 CarbonylContact O-C 3.57Å; A52-S60 WeakPolarHBondContact O-CA 3.38Å; A52-V61 HydrophobicContact CB-CG2 4.1Å; A52-V61 PolarHBondContact N-O 3Å; A52-V61 PolarHBondContact O-N 3.34Å; A52-I63 HydrophobicContact CB-CD1 3.65Å; A52-I63 HydrophobicContact CB-CG1 4.23Å
53	N	98	Very high	90.4	Very high	68 Å²	68	44.3 Å²	44.3	36%	0.364	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.6	167.4	-65.3	-15.5	0	0	0	108.7	Y35 Q36 N37 V55 S60	Y35-N53 WeakPolarHBondContact CA-O 3.14Å; Q36-N53 PolarHBondContact N-O 2.99Å; Q36-N53 PolarHBondContact O-N 2.96Å; N37-N53 PolarHBondContact ND2-ND2 2.8Å; N37-N53 VanDerWaalsContact ND2-ND2 3.2Å; N53-V55 PolarHBondContact O-N 3.43Å; N53-S60 PolarHBondContact OD1-OG 2.92Å
54	D	97.8	Very high	91.3	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.048	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	105.2	170.2	179.7	12.7	0	0	0	109.4	R34 Y35 V56 S57 G58 Q59 V61	R34-D54 IonicContact CZ-OD1 2.67Å; R34-D54 IonicContact CZ-OD2 3.08Å; R34-D54 IonicContact NE-OD1 3.44Å; R34-D54 PolarHBondContact NE-OD1 2.77Å; R34-D54 IonicContact NE-OD2 2.61Å; R34-D54 IonicContact NH2-OD1 3.42Å; R34-D54 PolarHBondContact NH2-OD1 2.85Å; R34-D54 IonicContact NH2-OD2 3.58Å; R34-D54 PolarHBondContact NH2-OD2 2.74Å; R34-D54 WeakPolarHBondContact O-CA 3.48Å; Y35-D54 HydrophobicContact CD1-CB 3.94Å; Y35-D54 HydrophobicContact CE1-CB 3.81Å; D54-V56 PolarHBondContact O-N 2.81Å; D54-V56 PolarHBondContact OD1-N 2.88Å; D54-S57 WeakPolarHBondContact CB-OG 3.3Å; D54-S57 PolarHBondContact O-N 3.35Å; D54-S57 WeakPolarHBondContact OD2-CB 3.37Å; D54-S57 PolarHBondContact OD2-OG 2.83Å; D54-G58 WeakPolarHBondContact O-CA 3.42Å; D54-G58 PolarHBondContact O-N 2.99Å; D54-Q59 WeakPolarHBondContact CB-O 3.47Å; D54-Q59 PolarHBondContact N-O 3.25Å; D54-V61 HydrophobicContact CB-CG1 4.12Å; D54-V61 HydrophobicContact CB-CG2 4.4Å
55	V	96.6	Very high	92.5	Very high	81 Å²	81	38.8 Å²	38.8	49%	0.491	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.6	-175.9	-55.2	0	0	0	0	113.4	R34 Q36 N53	R34-V55 HydrophobicContact CB-CG2 4.33Å; R34-V55 WeakPolarHBondContact O-CG2 3.32Å; R34-V55 PolarHBondContact O-N 3.47Å; Q36-V55 HydrophobicContact CB-CG1 4.34Å; Q36-V55 HydrophobicContact CG-CG1 3.9Å; N53-V55 PolarHBondContact O-N 3.43Å
56	V	95.5	Very high	93.6	Very high	74 Å²	74	34.4 Å²	34.4	45%	0.448	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-48.2	178.9	175.1	0	0	0	0	110.2	R34 D54	R34-V56 HydrophobicContact CB-CG2 3.77Å; D54-V56 PolarHBondContact O-N 2.81Å; D54-V56 PolarHBondContact OD1-N 2.88Å
57	S	94.5	Very high	94.2	Very high	59 Å²	59	35 Å²	35	41%	0.413	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-16.8	178.7	62.7	0	0	0	0	113.6	D54 Q59	D54-S57 WeakPolarHBondContact CB-OG 3.3Å; D54-S57 PolarHBondContact O-N 3.35Å; D54-S57 WeakPolarHBondContact OD2-CB 3.37Å; D54-S57 PolarHBondContact OD2-OG 2.83Å; S57-Q59 PolarHBondContact O-N 2.91Å; S57-Q59 PolarHBondContact OG-N 3.01Å
58	G	95.4	Very high	94.5	Very high	71 Å²	71	43.7 Å²	43.7	73%	0.732	25%	0.254	S	S	*	.			trans	73.2	6.5	-172.6	0	0	0	0	0	114	D54	D54-G58 WeakPolarHBondContact O-CA 3.42Å; D54-G58 PolarHBondContact O-N 2.99Å
59	Q	95.5	Very high	94.6	Very high	118 Å²	118	43.5 Å²	43.5	55%	0.551	25%	0.254	S	S	*	.			trans	-101.2	150.7	-176.3	-62.7	-171.8	-12.2	0	0	112.2	D54 S57	D54-Q59 WeakPolarHBondContact CB-O 3.47Å; D54-Q59 PolarHBondContact N-O 3.25Å; S57-Q59 PolarHBondContact O-N 2.91Å; S57-Q59 PolarHBondContact OG-N 3.01Å
60	S	97.2	Very high	94.7	Very high	64 Å²	64	43.1 Å²	43.1	45%	0.448	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.3	166.8	-60.1	0	0	0	0	110.6	A52 N53 L119	A52-S60 CarbonylContact O-C 3.57Å; A52-S60 WeakPolarHBondContact O-CA 3.38Å; N53-S60 PolarHBondContact OD1-OG 2.92Å; S60-L119 WeakPolarHBondContact O-CB 3.26Å
61	V	97.8	Very high	94.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	158.6	-174.5	-61.3	0	0	0	0	111.2	Y35 S51 A52 D54 I63 L98 V116 M117	Y35-V61 HydrophobicContact CD1-CG2 3.84Å; Y35-V61 HydrophobicContact CE1-CG2 3.96Å; S51-V61 CarbonylContact C-O 3.58Å; S51-V61 VanDerWaalsContact CA-O 3.3Å; S51-V61 WeakPolarHBondContact CA-O 3.44Å; A52-V61 HydrophobicContact CB-CG2 4.1Å; A52-V61 PolarHBondContact N-O 3Å; A52-V61 PolarHBondContact O-N 3.34Å; D54-V61 HydrophobicContact CB-CG1 4.12Å; D54-V61 HydrophobicContact CB-CG2 4.4Å; V61-I63 HydrophobicContact CG2-CD1 4.44Å; V61-I63 HydrophobicContact CG2-CG1 4.13Å; V61-L98 HydrophobicContact CG1-CD1 3.83Å; V61-V116 HydrophobicContact CB-CG1 3.72Å; V61-V116 HydrophobicContact CG1-CG1 4.14Å; V61-V116 HydrophobicContact CG2-CG1 3.77Å; V61-M117 WeakPolarHBondContact CA-O 3.46Å; V61-M117 WeakPolarHBondContact CB-O 3.26Å
62	A	96.6	Very high	94.2	Very high	8 Å²	8	50.1 Å²	50.1	7%	0.066	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.2	168.1	0	0	0	0	0	109.7	I41 V49 C50 V116 M117 L119	I41-A62 HydrophobicContact CD1-CB 4.35Å; V49-A62 HydrophobicContact CG1-CB 4.29Å; C50-A62 CarbonylContact O-C 3.52Å; C50-A62 WeakPolarHBondContact O-CA 3.37Å; A62-V116 CarbonylContact O-C 3.51Å; A62-V116 WeakPolarHBondContact O-CA 3.25Å; A62-M117 PolarHBondContact N-O 3.49Å; A62-M117 PolarHBondContact O-N 2.85Å; A62-L119 HydrophobicContact CB-CD1 4.02Å
63	I	96.6	Very high	93.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.3	179.3	-52.3	-178.2	0	0	0	108.6	I31 Y35 V49 C50 A52 V61 Y114 I115 V116	I31-I63 HydrophobicContact CD1-CG2 4.28Å; I31-I63 HydrophobicContact CG2-CD1 4.45Å; Y35-I63 HydrophobicContact CD1-CD1 3.94Å; Y35-I63 HydrophobicContact CD2-CD1 3.83Å; Y35-I63 HydrophobicContact CG-CD1 3.5Å; V49-I63 WeakPolarHBondContact CA-O 3.45Å; C50-I63 PolarHBondContact N-O 2.9Å; C50-I63 PolarHBondContact O-N 3.36Å; A52-I63 HydrophobicContact CB-CD1 3.65Å; A52-I63 HydrophobicContact CB-CG1 4.23Å; V61-I63 HydrophobicContact CG2-CD1 4.44Å; V61-I63 HydrophobicContact CG2-CG1 4.13Å; I63-Y114 HydrophobicContact CG2-CD1 4.17Å; I63-I115 CarbonylContact C-O 3.52Å; I63-I115 WeakPolarHBondContact CA-O 3.48Å; I63-V116 HydrophobicContact CG1-CG1 4.28Å; I63-V116 HydrophobicContact CG1-CG2 4.18Å; I63-V116 HydrophobicContact CG2-CG2 4.4Å
64	K	93.5	Very high	93.3	Very high	13 Å²	13	54.8 Å²	54.8	6%	0.057	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.9	173.1	-175.9	-175	-169.4	-170.2	0	109.4	L48 V49 L66 E82 Y114 I115 M117	L48-K64 CarbonylContact O-C 3.41Å; L48-K64 WeakPolarHBondContact O-CA 3.45Å; V49-K64 HydrophobicContact CG2-CB 4.22Å; V49-K64 HydrophobicContact CG2-CG 4.09Å; K64-L66 HydrophobicContact CD-CD2 3.87Å; K64-L66 HydrophobicContact CG-CD2 4.17Å; K64-E82 IonicContact NZ-OE1 3.49Å; K64-E82 PolarHBondContact NZ-OE1 2.97Å; K64-E82 IonicContact NZ-OE2 3Å; K64-E82 PolarHBondContact NZ-OE2 3.07Å; K64-Y114 WeakPolarHBondContact O-CA 3.16Å; K64-I115 HydrophobicContact CB-CB 4.41Å; K64-I115 PolarHBondContact N-O 3.09Å; K64-I115 PolarHBondContact O-N 2.51Å; K64-M117 HydrophobicContact CB-CE 3.81Å
65	K	94.6	Very high	92.8	Very high	27 Å²	27	57.3 Å²	57.3	12%	0.117	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.2	164.9	-179.3	-178.8	-177.3	178.1	0	108.7	T27 R28 M29 G47 L48 S67 D112 Y114	T27-K65 HydrophobicContact CG2-CD 4.02Å; R28-K65 PolarHBondContact O-NZ 3.17Å; M29-K65 HydrophobicContact CE-CB 3.98Å; M29-K65 HydrophobicContact CG-CD 4.17Å; G47-K65 WeakPolarHBondContact CA-O 3.31Å; L48-K65 PolarHBondContact N-O 3Å; L48-K65 PolarHBondContact O-N 2.9Å; K65-S67 PolarHBondContact O-N 2.68Å; K65-D112 WeakPolarHBondContact CE-OD1 3.15Å; K65-D112 IonicContact NZ-OD1 3.48Å; K65-D112 PolarHBondContact NZ-OD1 3Å; K65-Y114 HydrophobicContact CB-CD1 3.82Å; K65-Y114 HydrophobicContact CB-CE1 3.68Å; K65-Y114 HydrophobicContact CD-CE1 3.7Å; K65-Y114 HydrophobicContact CG-CD1 4.08Å; K65-Y114 HydrophobicContact CG-CE1 3.58Å
66	L	90.9	Very high	92.6	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.047	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.5	175.4	-63.6	-170.6	0	0	0	111	Q46 K64 R68 P69 A79 L113 I115	Q46-L66 WeakPolarHBondContact O-CA 3.48Å; K64-L66 HydrophobicContact CD-CD2 3.87Å; K64-L66 HydrophobicContact CG-CD2 4.17Å; L66-R68 PolarHBondContact O-N 3.45Å; L66-P69 HydrophobicContact CB-CB 4.45Å; L66-P69 HydrophobicContact CB-CG 4.46Å; L66-A79 HydrophobicContact CD1-CB 3.66Å; L66-L113 HydrophobicContact CD1-CB 4.49Å; L66-L113 HydrophobicContact CD1-CD2 3.75Å; L66-L113 HydrophobicContact CD1-CG 4.28Å; L66-L113 PolarHBondContact N-O 2.9Å; L66-I115 HydrophobicContact CD1-CD1 4.29Å; L66-I115 HydrophobicContact CD2-CD1 4.33Å; L66-I115 HydrophobicContact CG-CD1 4.35Å
67	S	84.2	Confident	92.3	Very high	61 Å²	61	51.6 Å²	51.6	43%	0.427	29%	0.286	S	S	.	.	S	Bend	trans	-82.7	115.9	176.2	-79.9	0	0	0	0	111.3	Q46 G47 K65	Q46-S67 PolarHBondContact O-N 3.06Å; Q46-S67 VanDerWaalsContact O-N 3.1Å; G47-S67 WeakPolarHBondContact CA-OG 3.43Å; K65-S67 PolarHBondContact O-N 2.68Å
68	R	88	Confident	91.9	Very high	188 Å²	188	51.2 Å²	51.2	71%	0.709	28%	0.275	S	S	*	.			trans	45.6	55.7	172.6	-56	-179.6	-176.1	165.5	1.3	113	L66 F70 Q71	L66-R68 PolarHBondContact O-N 3.45Å; R68-F70 PolarHBondContact O-N 3.05Å; R68-Q71 HydrophobicContact CB-CB 4.15Å; R68-Q71 WeakPolarHBondContact O-CB 3.43Å; R68-Q71 PolarHBondContact O-N 2.76Å
69	P	91.3	Very high	91.7	Very high	4 Å²	4	48 Å²	48	3%	0.026	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.8	-176	24.2	-34.1	0	0	0	112.9	L66 H75 A76 A79	L66-P69 HydrophobicContact CB-CB 4.45Å; L66-P69 HydrophobicContact CB-CG 4.46Å; P69-H75 CarbonylContact O-C 3.56Å; P69-H75 VanDerWaalsContact O-CB 3.31Å; P69-H75 WeakPolarHBondContact O-CB 3.35Å; P69-A76 WeakPolarHBondContact O-CA 3.33Å; P69-A76 PolarHBondContact O-N 3.15Å; P69-A79 HydrophobicContact CB-CB 3.69Å
70	F	93.9	Very high	91.5	Very high	27 Å²	27	43 Å²	43	12%	0.118	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	20.6	-179	-46.3	-55.1	0	0	0	114	R68 N72 A76 F110 V358 K362 L365	R68-F70 PolarHBondContact O-N 3.05Å; F70-N72 VanDerWaalsContact C-N 3.33Å; F70-N72 PolarHBondContact O-N 2.91Å; F70-A76 HydrophobicContact CD1-CB 4.15Å; F70-F110 HydrophobicContact CE1-CE1 4.21Å; F70-F110 AromaticContact CE2-CD1 3.79Å; F70-F110 HydrophobicContact CE2-CD1 3.79Å; F70-F110 HydrophobicContact CE2-CD2 4.49Å; F70-F110 AromaticContact CE2-CE1 3.79Å; F70-F110 HydrophobicContact CE2-CE1 3.79Å; F70-F110 HydrophobicContact CE2-CE2 4.45Å; F70-F110 HydrophobicContact CE2-CG 4.18Å; F70-F110 HydrophobicContact CE2-CZ 4.12Å; F70-F110 AromaticContact CZ-CD1 3.68Å; F70-F110 HydrophobicContact CZ-CD1 3.68Å; F70-F110 AromaticContact CZ-CE1 3.24Å; F70-F110 HydrophobicContact CZ-CE1 3.24Å; F70-F110 HydrophobicContact CZ-CE2 4.39Å; F70-F110 HydrophobicContact CZ-CG 4.45Å; F70-F110 AromaticContact CZ-CZ 3.64Å; F70-F110 HydrophobicContact CZ-CZ 3.64Å; F70-V358 HydrophobicContact CB-CG1 3.79Å; F70-V358 WeakPolarHBondContact O-CG1 3.42Å; F70-K362 HydrophobicContact CD1-CB 3.74Å; F70-K362 HydrophobicContact CD1-CG 3.9Å; F70-K362 HydrophobicContact CD2-CD 4.12Å; F70-K362 HydrophobicContact CD2-CG 4.02Å; F70-K362 HydrophobicContact CE1-CB 3.84Å; F70-K362 HydrophobicContact CE1-CG 3.83Å; F70-K362 HydrophobicContact CE2-CD 4.39Å; F70-K362 HydrophobicContact CE2-CG 3.93Å; F70-K362 HydrophobicContact CG-CB 4.22Å; F70-K362 HydrophobicContact CG-CD 4.23Å; F70-K362 HydrophobicContact CG-CG 4.03Å; F70-K362 HydrophobicContact CZ-CB 4.39Å; F70-K362 HydrophobicContact CZ-CG 3.87Å; F70-L365 HydrophobicContact CE1-CD2 3.89Å; F70-L365 HydrophobicContact CZ-CD2 3.92Å
71	Q	90.7	Very high	91.1	Very high	119 Å²	119	40.4 Å²	40.4	56%	0.556	20%	0.199	S	C	*	.	S	Bend	trans	-65.7	-35.9	-180	-177.5	174.7	-5.3	0	0	112.9	R68	R68-Q71 HydrophobicContact CB-CB 4.15Å; R68-Q71 WeakPolarHBondContact O-CB 3.43Å; R68-Q71 PolarHBondContact O-N 2.76Å
72	N	91.3	Very high	90.7	Very high	50 Å²	50	40.7 Å²	40.7	27%	0.267	20%	0.2	S	C	.	.	S	Bend	trans	-158.1	171.9	174.8	61.1	47.3	0	0	0	109.9	F70 T74 H75 A76	F70-N72 VanDerWaalsContact C-N 3.33Å; F70-N72 PolarHBondContact O-N 2.91Å; N72-T74 PolarHBondContact O-N 2.89Å; N72-T74 WeakPolarHBondContact OD1-CB 3.26Å; N72-T74 PolarHBondContact OD1-N 2.87Å; N72-T74 VanDerWaalsContact OD1-N 3.11Å; N72-H75 VanDerWaalsContact CG-ND1 3.26Å; N72-H75 PolarHBondContact ND2-CE1 3.01Å; N72-H75 PolarHBondContact ND2-ND1 2.71Å; N72-H75 PolarHBondContact O-N 2.78Å; N72-H75 VanDerWaalsContact O-N 3.16Å; N72-H75 PolarHBondContact OD1-N 2.9Å; N72-H75 PolarHBondContact OD1-ND1 3.15Å; N72-A76 PolarHBondContact O-N 2.82Å
73	V	91.8	Very high	90.4	Very high	65 Å²	65	40.4 Å²	40.4	39%	0.394	20%	0.197	S	C	.	.	H	α-helix	trans	-56.9	-38.3	-176.9	177.3	0	0	0	0	112	A76 K77 H356 V358	V73-A76 PolarHBondContact O-N 2.79Å; V73-K77 WeakPolarHBondContact O-CB 3.46Å; V73-K77 PolarHBondContact O-N 2.8Å; V73-H356 WeakPolarHBondContact CG1-O 3.42Å; V73-V358 HydrophobicContact CG2-CG2 3.84Å
74	T	85.9	Confident	90.1	Very high	102 Å²	102	42.9 Å²	42.9	63%	0.626	21%	0.208	S	C	*	.	H	α-helix	trans	-64.8	-44.5	179.4	-52.2	0	0	0	0	112	N72 R78	N72-T74 PolarHBondContact O-N 2.89Å; N72-T74 WeakPolarHBondContact OD1-CB 3.26Å; N72-T74 PolarHBondContact OD1-N 2.87Å; N72-T74 VanDerWaalsContact OD1-N 3.11Å; T74-R78 VanDerWaalsContact O-CB 3.28Å; T74-R78 WeakPolarHBondContact O-CB 3.38Å; T74-R78 PolarHBondContact O-N 2.91Å
75	H	87	Confident	89.8	Confident	63 Å²	63	42.4 Å²	42.4	29%	0.292	21%	0.206	S	C	.	.	H	α-helix	trans	-65.8	-42.4	176	-68.7	115.4	0	0	0	111.7	P69 N72 R78 A79	P69-H75 CarbonylContact O-C 3.56Å; P69-H75 VanDerWaalsContact O-CB 3.31Å; P69-H75 WeakPolarHBondContact O-CB 3.35Å; N72-H75 VanDerWaalsContact CG-ND1 3.26Å; N72-H75 PolarHBondContact ND2-CE1 3.01Å; N72-H75 PolarHBondContact ND2-ND1 2.71Å; N72-H75 PolarHBondContact O-N 2.78Å; N72-H75 VanDerWaalsContact O-N 3.16Å; N72-H75 PolarHBondContact OD1-N 2.9Å; N72-H75 PolarHBondContact OD1-ND1 3.15Å; H75-R78 WeakPolarHBondContact O-CB 2.93Å; H75-R78 PolarHBondContact O-N 3.46Å; H75-A79 PolarHBondContact O-N 3.32Å
76	A	91.7	Very high	89.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-45.8	-175.8	0	0	0	0	0	111	P69 F70 N72 V73 R78 A79 Y80 W361	P69-A76 WeakPolarHBondContact O-CA 3.33Å; P69-A76 PolarHBondContact O-N 3.15Å; F70-A76 HydrophobicContact CD1-CB 4.15Å; N72-A76 PolarHBondContact O-N 2.82Å; V73-A76 PolarHBondContact O-N 2.79Å; A76-R78 VanDerWaalsContact C-N 3.34Å; A76-R78 PolarHBondContact O-N 2.72Å; A76-A79 PolarHBondContact O-N 3.12Å; A76-Y80 PolarHBondContact O-N 3.44Å; A76-W361 HydrophobicContact CB-CB 3.51Å; A76-W361 HydrophobicContact CB-CG 4.01Å
77	K	89.9	Confident	89.6	Confident	35 Å²	35	44.1 Å²	44.1	15%	0.152	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-41.7	173.1	-176.3	170	-173.2	162.9	0	112.7	V73 Y80 R81 D352 W361	V73-K77 WeakPolarHBondContact O-CB 3.46Å; V73-K77 PolarHBondContact O-N 2.8Å; K77-Y80 PolarHBondContact O-N 3.45Å; K77-R81 WeakPolarHBondContact O-CB 3.39Å; K77-R81 WeakPolarHBondContact O-CG 3.41Å; K77-R81 PolarHBondContact O-N 3.3Å; K77-D352 WeakPolarHBondContact CE-OD1 3.35Å; K77-D352 PolarHBondContact NZ-O 2.87Å; K77-W361 HydrophobicContact CB-CD2 4.16Å; K77-W361 HydrophobicContact CB-CZ2 3.94Å; K77-W361 HydrophobicContact CD-CH2 4.39Å; K77-W361 HydrophobicContact CD-CZ2 3.7Å; K77-W361 HydrophobicContact CG-CH2 3.99Å; K77-W361 HydrophobicContact CG-CZ2 3.61Å
78	R	86.9	Confident	89.8	Confident	50 Å²	50	43.5 Å²	43.5	19%	0.189	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-46.6	176.6	179.1	173.4	-171.5	155.7	15.5	111.4	Q46 T74 H75 A76 R81 E82 D178	Q46-R78 VanDerWaalsContact CD-NH2 3.29Å; T74-R78 VanDerWaalsContact O-CB 3.28Å; T74-R78 WeakPolarHBondContact O-CB 3.38Å; T74-R78 PolarHBondContact O-N 2.91Å; H75-R78 WeakPolarHBondContact O-CB 2.93Å; H75-R78 PolarHBondContact O-N 3.46Å; A76-R78 VanDerWaalsContact C-N 3.34Å; A76-R78 PolarHBondContact O-N 2.72Å; R78-R81 PolarHBondContact O-N 2.99Å; R78-E82 WeakPolarHBondContact O-CB 3.43Å; R78-E82 PolarHBondContact O-N 2.95Å; R78-D178 IonicContact CZ-OD1 3.79Å; R78-D178 IonicContact NE-OD1 3.68Å; R78-D178 VanDerWaalsContact NH2-CG 3.32Å; R78-D178 IonicContact NH2-OD1 2.79Å; R78-D178 PolarHBondContact NH2-OD1 3.11Å; R78-D178 IonicContact NH2-OD2 3.7Å; R78-D178 PolarHBondContact NH2-OD2 3Å
79	A	90.1	Very high	89.8	Confident	5 Å²	5	35 Å²	35	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-43.9	178.6	0	0	0	0	0	111.7	L66 P69 H75 A76 E82 V83 L365	L66-A79 HydrophobicContact CD1-CB 3.66Å; P69-A79 HydrophobicContact CB-CB 3.69Å; H75-A79 PolarHBondContact O-N 3.32Å; A76-A79 PolarHBondContact O-N 3.12Å; A79-E82 PolarHBondContact O-N 2.83Å; A79-V83 PolarHBondContact O-N 3.07Å; A79-L365 HydrophobicContact CB-CD2 3.81Å
80	Y	92.3	Very high	89.8	Confident	12 Å²	12	41.2 Å²	41.2	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-51.6	174.4	179.9	-96.3	0	0	0	112.1	A76 K77 E82 V83 K84 I351 W361 L364 L365	A76-Y80 PolarHBondContact O-N 3.44Å; K77-Y80 PolarHBondContact O-N 3.45Å; Y80-E82 PolarHBondContact O-N 3.27Å; Y80-V83 PolarHBondContact O-N 3.36Å; Y80-K84 HydrophobicContact CE1-CB 4.22Å; Y80-K84 HydrophobicContact CE1-CG 4.3Å; Y80-K84 WeakPolarHBondContact O-CB 3.43Å; Y80-K84 PolarHBondContact O-N 2.97Å; Y80-I351 HydrophobicContact CE1-CD1 3.78Å; Y80-I351 HydrophobicContact CE1-CG1 4.44Å; Y80-I351 HydrophobicContact CE1-CG2 4.11Å; Y80-I351 WeakPolarHBondContact OH-CD1 3.36Å; Y80-W361 HydrophobicContact CD1-CE3 4.08Å; Y80-W361 HydrophobicContact CD1-CH2 4.38Å; Y80-W361 AromaticContact CD1-CZ3 3.45Å; Y80-W361 HydrophobicContact CD1-CZ3 3.45Å; Y80-W361 VanDerWaalsContact CD1-CZ3 3.45Å; Y80-W361 HydrophobicContact CD2-CE3 4.46Å; Y80-W361 HydrophobicContact CD2-CZ3 4.49Å; Y80-W361 HydrophobicContact CE1-CZ3 4.05Å; Y80-W361 AromaticContact CG-CE3 3.84Å; Y80-W361 HydrophobicContact CG-CE3 3.84Å; Y80-W361 AromaticContact CG-CZ3 3.71Å; Y80-W361 HydrophobicContact CG-CZ3 3.71Å; Y80-L364 HydrophobicContact CD2-CB 3.99Å; Y80-L364 HydrophobicContact CE2-CB 3.86Å; Y80-L365 HydrophobicContact CD2-CB 4.19Å
81	R	88.8	Confident	89.8	Confident	9 Å²	9	40.6 Å²	40.6	3%	0.034	21%	0.205	C	C	.	.	H	α-helix	trans	-58.5	-45.6	178.2	-80.1	172.6	146.4	-146.4	-21.9	112.8	K77 R78 V83 K84 L85 A182 Y347 D352	K77-R81 WeakPolarHBondContact O-CB 3.39Å; K77-R81 WeakPolarHBondContact O-CG 3.41Å; K77-R81 PolarHBondContact O-N 3.3Å; R78-R81 PolarHBondContact O-N 2.99Å; R81-V83 PolarHBondContact O-N 2.7Å; R81-K84 PolarHBondContact O-N 3.25Å; R81-L85 HydrophobicContact CB-CD1 4.38Å; R81-L85 VanDerWaalsContact O-CB 3.26Å; R81-L85 WeakPolarHBondContact O-CB 3.35Å; R81-L85 WeakPolarHBondContact O-CG 3.19Å; R81-L85 PolarHBondContact O-N 3.49Å; R81-A182 PolarHBondContact NH1-O 2.99Å; R81-A182 PolarHBondContact NH2-O 2.68Å; R81-A182 VanDerWaalsContact NH2-O 3.14Å; R81-Y347 WeakPolarHBondContact CG-OH 3.38Å; R81-D352 VanDerWaalsContact CZ-CG 3.48Å; R81-D352 IonicContact CZ-OD1 3.8Å; R81-D352 IonicContact CZ-OD2 2.8Å; R81-D352 IonicContact NE-OD1 2.99Å; R81-D352 PolarHBondContact NE-OD1 3.18Å; R81-D352 IonicContact NE-OD2 3.04Å; R81-D352 PolarHBondContact NE-OD2 2.66Å; R81-D352 VanDerWaalsContact NH2-CG 3.26Å; R81-D352 IonicContact NH2-OD1 2.6Å; R81-D352 IonicContact NH2-OD2 3.95Å; R81-D352 PolarHBondContact NH2-OD2 2.95Å
82	E	88.2	Confident	90.1	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-57.3	-50.5	-179.2	-173.7	167.9	-171.5	0	0	110.6	K64 R78 A79 Y80 M86 I115	K64-E82 IonicContact NZ-OE1 3.49Å; K64-E82 PolarHBondContact NZ-OE1 2.97Å; K64-E82 IonicContact NZ-OE2 3Å; K64-E82 PolarHBondContact NZ-OE2 3.07Å; R78-E82 WeakPolarHBondContact O-CB 3.43Å; R78-E82 PolarHBondContact O-N 2.95Å; A79-E82 PolarHBondContact O-N 2.83Å; Y80-E82 PolarHBondContact O-N 3.27Å; E82-M86 HydrophobicContact CG-SD 4.17Å; E82-M86 VanDerWaalsContact O-CB 3.3Å; E82-M86 WeakPolarHBondContact O-CB 3.28Å; E82-M86 WeakPolarHBondContact O-CG 3.24Å; E82-M86 PolarHBondContact O-N 2.8Å; E82-I115 HydrophobicContact CG-CD1 4.2Å
83	V	90.6	Very high	90.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-47.9	176.9	175	0	0	0	0	111.8	A79 Y80 R81 L85 M86 K87 L113 I115 L365 E368 I369	A79-V83 PolarHBondContact O-N 3.07Å; Y80-V83 PolarHBondContact O-N 3.36Å; R81-V83 PolarHBondContact O-N 2.7Å; V83-L85 PolarHBondContact O-N 2.85Å; V83-M86 PolarHBondContact O-N 3.07Å; V83-K87 HydrophobicContact CG1-CD 4.11Å; V83-K87 WeakPolarHBondContact O-CG 3.25Å; V83-K87 PolarHBondContact O-N 3.19Å; V83-L113 HydrophobicContact CG2-CD2 3.69Å; V83-I115 HydrophobicContact CG2-CD1 4.03Å; V83-I115 HydrophobicContact CG2-CG1 4.45Å; V83-L365 HydrophobicContact CB-CD1 4.09Å; V83-L365 HydrophobicContact CG1-CD1 4.43Å; V83-L365 HydrophobicContact CG2-CD1 3.89Å; V83-E368 HydrophobicContact CG1-CG 4.12Å; V83-I369 HydrophobicContact CG1-CD1 3.89Å; V83-I369 HydrophobicContact CG2-CD1 4.32Å
84	K	90.1	Very high	90.5	Very high	53 Å²	53	33.4 Å²	33.4	23%	0.23	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-42.8	-174.8	-166.9	66.8	171.7	-176	0	111.8	Y80 R81 K87 L88 Y347 E368	Y80-K84 HydrophobicContact CE1-CB 4.22Å; Y80-K84 HydrophobicContact CE1-CG 4.3Å; Y80-K84 WeakPolarHBondContact O-CB 3.43Å; Y80-K84 PolarHBondContact O-N 2.97Å; R81-K84 PolarHBondContact O-N 3.25Å; K84-K87 PolarHBondContact O-N 2.76Å; K84-L88 WeakPolarHBondContact O-CG 3.28Å; K84-L88 PolarHBondContact O-N 3.19Å; K84-Y347 HydrophobicContact CB-CE2 4.01Å; K84-Y347 HydrophobicContact CG-CD2 4.16Å; K84-Y347 HydrophobicContact CG-CE2 3.65Å; K84-E368 VanDerWaalsContact CD-CD 3.49Å; K84-E368 HydrophobicContact CD-CG 4.32Å; K84-E368 WeakPolarHBondContact CD-OE1 3.28Å; K84-E368 WeakPolarHBondContact CD-OE2 3.38Å; K84-E368 IonicContact NZ-OE1 3.43Å; K84-E368 PolarHBondContact NZ-OE1 3.25Å; K84-E368 IonicContact NZ-OE2 2.84Å; K84-E368 PolarHBondContact NZ-OE2 3.11Å
85	L	88.7	Confident	91	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-69.6	-42.4	178.7	-66.1	170.5	0	0	0	111.3	R81 V83 K87 L88 V89 I156 F179 A182 Y347	R81-L85 HydrophobicContact CB-CD1 4.38Å; R81-L85 VanDerWaalsContact O-CB 3.26Å; R81-L85 WeakPolarHBondContact O-CB 3.35Å; R81-L85 WeakPolarHBondContact O-CG 3.19Å; R81-L85 PolarHBondContact O-N 3.49Å; V83-L85 PolarHBondContact O-N 2.85Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 3.11Å; L85-L88 PolarHBondContact O-N 3.38Å; L85-L88 VanDerWaalsContact O-N 3.07Å; L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.43Å; L85-V89 PolarHBondContact O-N 3.24Å; L85-I156 HydrophobicContact CD2-CD1 3.54Å; L85-I156 HydrophobicContact CD2-CG1 3.83Å; L85-I156 HydrophobicContact CD2-CG2 4.42Å; L85-F179 HydrophobicContact CB-CB 4.01Å; L85-F179 HydrophobicContact CB-CG 4.39Å; L85-F179 HydrophobicContact CD1-CB 3.61Å; L85-F179 HydrophobicContact CG-CB 4.46Å; L85-A182 HydrophobicContact CD1-CB 3.99Å; L85-Y347 HydrophobicContact CD2-CD1 4.19Å; L85-Y347 HydrophobicContact CD2-CD2 3.29Å; L85-Y347 HydrophobicContact CD2-CE2 3.78Å; L85-Y347 HydrophobicContact CD2-CG 3.51Å; L85-Y347 HydrophobicContact CG-CD2 4.07Å; L85-Y347 HydrophobicContact CG-CE2 4.09Å
86	M	90.3	Very high	91.2	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.034	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-30.5	176.2	-76.6	-176.3	76	0	0	113.4	E82 V83 I95 L97 I115 M117 F179	E82-M86 HydrophobicContact CG-SD 4.17Å; E82-M86 VanDerWaalsContact O-CB 3.3Å; E82-M86 WeakPolarHBondContact O-CB 3.28Å; E82-M86 WeakPolarHBondContact O-CG 3.24Å; E82-M86 PolarHBondContact O-N 2.8Å; V83-M86 PolarHBondContact O-N 3.07Å; M86-I95 HydrophobicContact CE-CG2 4.32Å; M86-L97 HydrophobicContact CB-CB 4.17Å; M86-L97 HydrophobicContact CB-CD2 4.49Å; M86-L97 HydrophobicContact CE-CB 4.09Å; M86-L97 HydrophobicContact CE-CD1 3.83Å; M86-I115 HydrophobicContact CE-CG2 3.72Å; M86-I115 HydrophobicContact SD-CG2 3.83Å; M86-M117 HydrophobicContact CE-CG 3.5Å; M86-M117 VanDerWaalsContact CE-CG 3.5Å; M86-M117 HydrophobicContact CE-SD 3.67Å; M86-F179 HydrophobicContact CG-CD2 4Å; M86-F179 HydrophobicContact CG-CE2 4.27Å
87	K	89.8	Confident	91.4	Very high	65 Å²	65	28.4 Å²	28.4	28%	0.283	14%	0.139	S	C	.	.	H	α-helix	trans	-71.8	-29.9	172.8	-75.2	178.6	65.9	175.5	0	113.3	V83 K84 L85 L97 E368 Y372	V83-K87 HydrophobicContact CG1-CD 4.11Å; V83-K87 WeakPolarHBondContact O-CG 3.25Å; V83-K87 PolarHBondContact O-N 3.19Å; K84-K87 PolarHBondContact O-N 2.76Å; L85-K87 VanDerWaalsContact C-N 3.26Å; L85-K87 PolarHBondContact O-N 3.11Å; K87-L97 HydrophobicContact CG-CD2 3.66Å; K87-E368 HydrophobicContact CD-CG 4.05Å; K87-E368 WeakPolarHBondContact CD-OE1 3.19Å; K87-E368 VanDerWaalsContact CE-OE1 3.28Å; K87-E368 WeakPolarHBondContact CE-OE1 3.4Å; K87-E368 PolarHBondContact NZ-O 3.42Å; K87-E368 IonicContact NZ-OE1 3.61Å; K87-E368 PolarHBondContact NZ-OE1 3.34Å; K87-Y372 HydrophobicContact CD-CD2 4.02Å; K87-Y372 HydrophobicContact CG-CD2 4.2Å; K87-Y372 HydrophobicContact CG-CE2 4.48Å
88	L	88	Confident	91.6	Very high	48 Å²	48	30.1 Å²	30.1	25%	0.251	15%	0.15	S	C	.	.	H	α-helix	trans	-81.7	-45.1	-177.1	-73.1	167.9	0	0	0	111.2	K84 L85 P344 A345 Y347	K84-L88 WeakPolarHBondContact O-CG 3.28Å; K84-L88 PolarHBondContact O-N 3.19Å; L85-L88 PolarHBondContact O-N 3.38Å; L85-L88 VanDerWaalsContact O-N 3.07Å; L88-P344 HydrophobicContact CB-CB 4.36Å; L88-P344 WeakPolarHBondContact O-CB 3.35Å; L88-A345 HydrophobicContact CD2-CB 4.16Å; L88-Y347 HydrophobicContact CD1-CD2 3.62Å; L88-Y347 HydrophobicContact CD1-CG 4.31Å
89	V	89.2	Confident	92	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.055	14%	0.142	C	C	.	.			trans	-82.9	131	-166.3	-179.3	0	0	0	0	111.6	L85 I94 L151 I156 P344	L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.43Å; L85-V89 PolarHBondContact O-N 3.24Å; V89-I94 HydrophobicContact CB-CG2 4.33Å; V89-I94 HydrophobicContact CG1-CB 4.02Å; V89-I94 HydrophobicContact CG1-CD1 3.34Å; V89-I94 HydrophobicContact CG1-CG1 4.25Å; V89-I94 HydrophobicContact CG1-CG2 3.52Å; V89-L151 HydrophobicContact CG1-CD2 4.29Å; V89-L151 HydrophobicContact CG2-CD2 4.1Å; V89-I156 HydrophobicContact CG2-CD1 3.81Å; V89-P344 HydrophobicContact CG2-CG 4.18Å
90	N	90.4	Very high	92.3	Very high	136 Å²	136	27.7 Å²	27.7	73%	0.727	14%	0.14	S	C	*	.			trans	-137.4	98.4	175.9	-177.9	21	0	0	0	110.3	H150	N90-H150 PolarHBondContact O-CE1 3.25Å; N90-H150 PolarHBondContact O-NE2 3.41Å
91	H	94.9	Very high	92.5	Very high	14 Å²	14	27.2 Å²	27.2	7%	0.065	14%	0.138	C	C	.	.			trans	-150.9	144.9	178.9	-173.9	-104	0	0	0	110.7	N93 I94 H150 E338	H91-N93 PolarHBondContact CE1-OD1 3.15Å; H91-N93 VanDerWaalsContact CE1-OD1 3.26Å; H91-N93 PolarHBondContact ND1-N 3.38Å; H91-N93 VanDerWaalsContact ND1-N 3.11Å; H91-N93 PolarHBondContact O-N 3Å; H91-N93 VanDerWaalsContact O-N 3.14Å; H91-I94 HydrophobicContact CB-CB 4.19Å; H91-I94 HydrophobicContact CB-CD1 3.94Å; H91-I94 HydrophobicContact CB-CG1 4.17Å; H91-I94 PolarHBondContact O-N 3.26Å; H91-H150 HydrophobicContact CB-CB 4.3Å; H91-H150 AromaticContact CD2-CG 3.93Å; H91-H150 AromaticContact CD2-ND1 3.7Å; H91-H150 AromaticContact CG-CG 3.8Å; H91-H150 AromaticContact CG-ND1 3.97Å; H91-E338 PolarHBondContact NE2-O 2.95Å
92	K	95.9	Very high	92.8	Very high	78 Å²	78	26.8 Å²	26.8	34%	0.339	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.5	-176.7	68.9	167.8	-165.3	160.2	0	113.5	I94 K175 E338	K92-I94 VanDerWaalsContact C-N 3.34Å; K92-K175 VanDerWaalsContact O-CE 3.25Å; K92-K175 WeakPolarHBondContact O-CE 3.39Å; K92-K175 VanDerWaalsContact O-CG 3.23Å; K92-K175 WeakPolarHBondContact O-CG 3.17Å; K92-K175 PolarHBondContact O-NZ 2.83Å; K92-K175 VanDerWaalsContact O-NZ 3.07Å; K92-E338 HydrophobicContact CD-CG 4.49Å; K92-E338 WeakPolarHBondContact CE-OE1 3.45Å; K92-E338 WeakPolarHBondContact CE-OE2 3.31Å; K92-E338 IonicContact NZ-OE1 3.03Å; K92-E338 PolarHBondContact NZ-OE1 3.07Å; K92-E338 IonicContact NZ-OE2 2.76Å; K92-E338 PolarHBondContact NZ-OE2 2.58Å
93	N	97.5	Very high	93.1	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.011	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	14.5	177.9	-55.5	116.4	0	0	0	114.3	H91 Q143 L174 K175 I176	H91-N93 PolarHBondContact CE1-OD1 3.15Å; H91-N93 VanDerWaalsContact CE1-OD1 3.26Å; H91-N93 PolarHBondContact ND1-N 3.38Å; H91-N93 VanDerWaalsContact ND1-N 3.11Å; H91-N93 PolarHBondContact O-N 3Å; H91-N93 VanDerWaalsContact O-N 3.14Å; N93-Q143 VanDerWaalsContact CB-O 3.28Å; N93-Q143 WeakPolarHBondContact CB-O 3.44Å; N93-Q143 WeakPolarHBondContact ND2-CB 3.49Å; N93-Q143 WeakPolarHBondContact ND2-CG 3.49Å; N93-Q143 PolarHBondContact ND2-OE1 2.99Å; N93-L174 VanDerWaalsContact CA-O 3.27Å; N93-L174 WeakPolarHBondContact CA-O 3.31Å; N93-L174 PolarHBondContact ND2-O 2.97Å; N93-K175 WeakPolarHBondContact O-CA 3.26Å; N93-I176 PolarHBondContact O-N 3.48Å
94	I	95.5	Very high	93.3	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-124.3	140.2	173.2	-65.5	172.1	0	0	0	107.3	V89 H91 K92 A96 G147 H150 L151 K175 F179	V89-I94 HydrophobicContact CB-CG2 4.33Å; V89-I94 HydrophobicContact CG1-CB 4.02Å; V89-I94 HydrophobicContact CG1-CD1 3.34Å; V89-I94 HydrophobicContact CG1-CG1 4.25Å; V89-I94 HydrophobicContact CG1-CG2 3.52Å; H91-I94 HydrophobicContact CB-CB 4.19Å; H91-I94 HydrophobicContact CB-CD1 3.94Å; H91-I94 HydrophobicContact CB-CG1 4.17Å; H91-I94 PolarHBondContact O-N 3.26Å; K92-I94 VanDerWaalsContact C-N 3.34Å; I94-A96 PolarHBondContact O-N 3.23Å; I94-G147 WeakPolarHBondContact CD1-O 3.39Å; I94-H150 HydrophobicContact CD1-CB 4.22Å; I94-L151 HydrophobicContact CD1-CD1 4.41Å; I94-L151 HydrophobicContact CD1-CD2 3.71Å; I94-L151 HydrophobicContact CD1-CG 3.66Å; I94-K175 PolarHBondContact O-NZ 3.05Å; I94-F179 HydrophobicContact CG2-CE1 4.43Å; I94-F179 HydrophobicContact CG2-CE2 3.9Å; I94-F179 HydrophobicContact CG2-CZ 3.44Å; I94-F179 VanDerWaalsContact CG2-CZ 3.44Å
95	I	94.6	Very high	93.1	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	15%	0.149	C	C	.	.			trans	-64.5	129	179.6	-165.5	65.8	0	0	0	110.7	M86 M117 E118 M120 K175 I176 L177 F179	M86-I95 HydrophobicContact CE-CG2 4.32Å; I95-M117 HydrophobicContact CD1-CB 4.24Å; I95-M117 HydrophobicContact CG1-CB 3.84Å; I95-M117 HydrophobicContact CG1-CG 4.02Å; I95-M117 HydrophobicContact CG1-SD 4Å; I95-M117 HydrophobicContact CG2-SD 4.38Å; I95-E118 HydrophobicContact CD1-CB 3.95Å; I95-M120 HydrophobicContact CD1-CG 4.42Å; I95-K175 HydrophobicContact CD1-CD 4.03Å; I95-I176 WeakPolarHBondContact CG2-O 3.39Å; I95-I176 PolarHBondContact N-O 3.05Å; I95-L177 HydrophobicContact CB-CD2 3.6Å; I95-L177 HydrophobicContact CD1-CD2 4.17Å; I95-L177 HydrophobicContact CG1-CD2 3.69Å; I95-L177 HydrophobicContact CG2-CD2 3.66Å; I95-F179 HydrophobicContact CG2-CE2 4.29Å
96	A	92.9	Very high	93.4	Very high	29 Å²	29	30.8 Å²	30.8	24%	0.24	16%	0.16	C	C	.	.			trans	-83.1	144	179	0	0	0	0	0	111.4	I94 L98 E118	I94-A96 PolarHBondContact O-N 3.23Å; A96-L98 HydrophobicContact CB-CD2 4.44Å; A96-L98 PolarHBondContact O-N 3.11Å; A96-E118 HydrophobicContact CB-CG 4.38Å; A96-E118 WeakPolarHBondContact CB-OE2 3.45Å; A96-E118 PolarHBondContact N-OE2 2.78Å
97	L	94	Very high	93.6	Very high	26 Å²	26	33 Å²	33	14%	0.136	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	112.4	164.4	-173.5	64.6	0	0	0	109.3	M86 K87 N99 A100 I115 Y372	M86-L97 HydrophobicContact CB-CB 4.17Å; M86-L97 HydrophobicContact CB-CD2 4.49Å; M86-L97 HydrophobicContact CE-CB 4.09Å; M86-L97 HydrophobicContact CE-CD1 3.83Å; K87-L97 HydrophobicContact CG-CD2 3.66Å; L97-N99 VanDerWaalsContact CD1-O 3.28Å; L97-N99 WeakPolarHBondContact CD1-O 3.44Å; L97-A100 HydrophobicContact CD1-CB 4.26Å; L97-A100 HydrophobicContact CD2-CB 4.35Å; L97-I115 HydrophobicContact CD1-CG2 3.57Å; L97-Y372 HydrophobicContact CD2-CD2 4.42Å; L97-Y372 HydrophobicContact CD2-CE2 3.81Å
98	L	94.7	Very high	93.8	Very high	71 Å²	71	36.6 Å²	36.6	37%	0.372	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-34.1	176.2	-59.4	-175.6	0	0	0	112.3	V61 A96 V116 E118 Y372	V61-L98 HydrophobicContact CG1-CD1 3.83Å; A96-L98 HydrophobicContact CB-CD2 4.44Å; A96-L98 PolarHBondContact O-N 3.11Å; L98-V116 HydrophobicContact CB-CG1 4.34Å; L98-V116 PolarHBondContact N-O 3.21Å; L98-E118 HydrophobicContact CD1-CG 4.05Å; L98-E118 HydrophobicContact CD2-CG 4.11Å; L98-E118 HydrophobicContact CG-CG 4.23Å; L98-Y372 PolarHBondContact O-OH 3.34Å
99	N	95.9	Very high	94	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	157.3	175.9	-160.2	-2.8	0	0	0	110.1	Y35 L97 V116 Y372 V378	Y35-N99 VanDerWaalsContact OH-CB 3.26Å; Y35-N99 WeakPolarHBondContact OH-CB 3.46Å; Y35-N99 PolarHBondContact OH-ND2 3.21Å; L97-N99 VanDerWaalsContact CD1-O 3.28Å; L97-N99 WeakPolarHBondContact CD1-O 3.44Å; N99-V116 HydrophobicContact CB-CB 3.74Å; N99-V116 HydrophobicContact CB-CG1 4.48Å; N99-V116 HydrophobicContact CB-CG2 3.84Å; N99-V116 PolarHBondContact N-O 3.29Å; N99-V116 PolarHBondContact O-N 3.4Å; N99-Y372 WeakPolarHBondContact CA-OH 3.42Å; N99-V378 PolarHBondContact ND2-O 3.47Å; N99-V378 WeakPolarHBondContact OD1-CG2 3.5Å
100	A	95.9	Very high	94.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	130.8	169.6	0	0	0	0	0	109.3	L97 Y114 I369 Y372	L97-A100 HydrophobicContact CD1-CB 4.26Å; L97-A100 HydrophobicContact CD2-CB 4.35Å; A100-Y114 WeakPolarHBondContact CA-O 3.49Å; A100-I369 HydrophobicContact CB-CD1 3.89Å; A100-Y372 HydrophobicContact CB-CD1 4.09Å; A100-Y372 HydrophobicContact CB-CE1 4.15Å; A100-Y372 VanDerWaalsContact N-CE1 3.31Å
101	F	96.1	Very high	94.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	159.5	-176	65.9	-92.6	0	0	0	113.5	F19 I31 L32 Y35 Y114 V116 V378	F19-F101 AromaticContact CE1-CD2 3.69Å; F19-F101 HydrophobicContact CE1-CD2 3.69Å; F19-F101 AromaticContact CE1-CE2 3.89Å; F19-F101 HydrophobicContact CE1-CE2 3.89Å; F19-F101 HydrophobicContact CZ-CD2 4.36Å; I31-F101 HydrophobicContact CD1-CE2 4.4Å; I31-F101 HydrophobicContact CD1-CZ 4.05Å; I31-F101 HydrophobicContact CG2-CZ 4.45Å; L32-F101 HydrophobicContact CD1-CB 4.2Å; L32-F101 HydrophobicContact CD1-CD1 3.68Å; L32-F101 HydrophobicContact CD1-CD2 4.12Å; L32-F101 HydrophobicContact CD1-CE1 4.01Å; L32-F101 HydrophobicContact CD1-CE2 4.42Å; L32-F101 HydrophobicContact CD1-CG 3.73Å; L32-F101 HydrophobicContact CD1-CZ 4.36Å; L32-F101 HydrophobicContact CG-CD1 4.38Å; L32-F101 HydrophobicContact CG-CD2 4.07Å; L32-F101 HydrophobicContact CG-CE1 4.41Å; L32-F101 HydrophobicContact CG-CE2 4.1Å; L32-F101 HydrophobicContact CG-CG 4.2Å; L32-F101 HydrophobicContact CG-CZ 4.27Å; Y35-F101 HydrophobicContact CD2-CE1 4.03Å; Y35-F101 HydrophobicContact CD2-CZ 4.23Å; Y35-F101 HydrophobicContact CE2-CD1 4.27Å; Y35-F101 AromaticContact CE2-CE1 3.54Å; Y35-F101 HydrophobicContact CE2-CE1 3.54Å; Y35-F101 HydrophobicContact CE2-CZ 4.19Å; F101-Y114 AromaticContact CD2-CD2 3.84Å; F101-Y114 HydrophobicContact CD2-CD2 3.84Å; F101-Y114 HydrophobicContact CD2-CG 4.18Å; F101-Y114 HydrophobicContact CE1-CG 4.49Å; F101-Y114 HydrophobicContact CE2-CD1 4.42Å; F101-Y114 AromaticContact CE2-CD2 3.47Å; F101-Y114 HydrophobicContact CE2-CD2 3.47Å; F101-Y114 VanDerWaalsContact CE2-CD2 3.47Å; F101-Y114 HydrophobicContact CE2-CE2 4.28Å; F101-Y114 AromaticContact CE2-CG 3.56Å; F101-Y114 HydrophobicContact CE2-CG 3.56Å; F101-Y114 VanDerWaalsContact CZ-CB 3.44Å; F101-Y114 HydrophobicContact CZ-CD1 4.38Å; F101-Y114 HydrophobicContact CZ-CD2 4.15Å; F101-Y114 AromaticContact CZ-CG 3.74Å; F101-Y114 HydrophobicContact CZ-CG 3.74Å; F101-Y114 PolarHBondContact N-O 3.34Å; F101-Y114 PolarHBondContact O-N 3.35Å; F101-V116 HydrophobicContact CD1-CG2 4.2Å; F101-V116 HydrophobicContact CE1-CG2 3.69Å; F101-V378 HydrophobicContact CB-CG1 3.79Å
102	T	96.1	Very high	94.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.			trans	-129.8	141.4	167.9	179.4	0	0	0	0	109.1	Q104 F110 D112 F366 I369 M370	T102-Q104 WeakPolarHBondContact CG2-O 3.46Å; T102-Q104 PolarHBondContact O-N 3.07Å; T102-Q104 PolarHBondContact OG1-N 3.19Å; T102-Q104 PolarHBondContact OG1-OE1 3.21Å; T102-F110 HydrophobicContact CG2-CD2 4.15Å; T102-F110 HydrophobicContact CG2-CE2 4.17Å; T102-F110 WeakPolarHBondContact OG1-CD2 3.32Å; T102-D112 WeakPolarHBondContact CB-O 3.36Å; T102-D112 PolarHBondContact OG1-O 2.94Å; T102-F366 HydrophobicContact CG2-CE2 4.29Å; T102-I369 HydrophobicContact CG2-CG2 4.02Å; T102-M370 HydrophobicContact CG2-CE 3.73Å
103	P	94.2	Very high	94.3	Very high	19 Å²	19	33.8 Å²	33.8	12%	0.123	18%	0.18	C	C	.	.	S	Bend	trans	-76.1	-7.4	174.1	31.5	-36.1	0	0	0	112.9	F19 L30 D112 Y114	F19-P103 HydrophobicContact CD1-CB 3.77Å; F19-P103 HydrophobicContact CE1-CB 3.76Å; F19-P103 HydrophobicContact CG-CB 4.19Å; F19-P103 HydrophobicContact CZ-CB 4.21Å; L30-P103 HydrophobicContact CB-CB 3.88Å; L30-P103 HydrophobicContact CB-CG 3.8Å; L30-P103 HydrophobicContact CD1-CB 4.43Å; L30-P103 HydrophobicContact CD1-CG 4.23Å; P103-D112 HydrophobicContact CG-CB 4.28Å; P103-Y114 HydrophobicContact CG-CE2 4.13Å
104	Q	93.7	Very high	94.3	Very high	24 Å²	24	33.8 Å²	33.8	11%	0.112	18%	0.179	C	C	.	.			trans	-96.8	136.5	-177.5	-66.4	103	20.3	0	0	111.7	T102 E109 N111 D112	T102-Q104 WeakPolarHBondContact CG2-O 3.46Å; T102-Q104 PolarHBondContact O-N 3.07Å; T102-Q104 PolarHBondContact OG1-N 3.19Å; T102-Q104 PolarHBondContact OG1-OE1 3.21Å; Q104-E109 HydrophobicContact CB-CB 4.07Å; Q104-E109 HydrophobicContact CG-CB 4.03Å; Q104-E109 WeakPolarHBondContact CG-O 3.48Å; Q104-N111 VanDerWaalsContact OE1-N 3.16Å; Q104-D112 PolarHBondContact NE2-OD2 2.81Å; Q104-D112 PolarHBondContact OE1-O 3.01Å
105	K	87.6	Confident	94.2	Very high	71 Å²	71	33.6 Å²	33.6	31%	0.309	18%	0.179	S	C	.	.			trans	-99.2	-11	-175.3	-77	-48.4	-152.8	-157	0	116.1	H15 E373 Y379	H15-K105 VanDerWaalsContact CD2-CE 3.43Å; H15-K105 WeakPolarHBondContact CD2-CE 3.17Å; H15-K105 WeakPolarHBondContact CD2-CG 3.43Å; H15-K105 WeakPolarHBondContact CE1-CE 3.36Å; H15-K105 PolarHBondContact CE1-NZ 3.4Å; H15-K105 WeakPolarHBondContact ND1-CE 3.33Å; H15-K105 PolarHBondContact ND1-NZ 3.25Å; H15-K105 WeakPolarHBondContact NE2-CD 3.49Å; H15-K105 VanDerWaalsContact NE2-CE 3.31Å; H15-K105 WeakPolarHBondContact NE2-CE 3.13Å; K105-E373 VanDerWaalsContact NZ-CD 3.26Å; K105-E373 IonicContact NZ-OE1 2.8Å; K105-E373 PolarHBondContact NZ-OE1 3.14Å; K105-E373 IonicContact NZ-OE2 3.81Å; K105-E373 PolarHBondContact NZ-OE2 3.01Å; K105-Y379 PolarHBondContact NZ-OH 2.94Å
106	C	93.5	Very high	94.3	Very high	34 Å²	34	33.4 Å²	33.4	23%	0.23	18%	0.178	C	C	.	.	S	Bend	trans	-127	154.5	174.1	61.2	0	0	0	0	111	D108 E109 F110	C106-D108 PolarHBondContact O-N 3.1Å; C106-E109 PolarHBondContact O-N 3.48Å; C106-E109 VanDerWaalsContact SG-CD 3.51Å; C106-E109 VanDerWaalsContact SG-CG 3.51Å; C106-F110 PolarHBondContact O-N 3.18Å; C106-F110 VanDerWaalsContact O-N 3.09Å
107	L	94.7	Very high	94.5	Very high	53 Å²	53	32.9 Å²	32.9	28%	0.277	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37	-179.2	179.8	60.5	0	0	0	112.4	E109 F110 K362 E363 F366	L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 PolarHBondContact O-N 3.47Å; L107-F110 PolarHBondContact O-N 2.85Å; L107-K362 HydrophobicContact CD1-CD 4.3Å; L107-K362 HydrophobicContact CD1-CG 3.92Å; L107-K362 WeakPolarHBondContact O-CE 3.45Å; L107-K362 PolarHBondContact O-NZ 2.84Å; L107-E363 HydrophobicContact CD1-CB 4.34Å; L107-E363 HydrophobicContact CD2-CB 4.01Å; L107-E363 HydrophobicContact CD2-CG 3.99Å; L107-F366 HydrophobicContact CB-CD1 4.23Å; L107-F366 HydrophobicContact CB-CE1 4.48Å; L107-F366 HydrophobicContact CD1-CB 3.71Å; L107-F366 HydrophobicContact CD1-CD1 4.27Å; L107-F366 HydrophobicContact CD1-CG 4.02Å
108	D	93.9	Very high	94.4	Very high	142 Å²	142	33.9 Å²	33.9	76%	0.759	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-40	-179	-63.2	-27.7	0	0	0	111.7	C106 K362	C106-D108 PolarHBondContact O-N 3.1Å; D108-K362 PolarHBondContact O-NZ 3.43Å
109	E	93.4	Very high	94.5	Very high	107 Å²	107	32.5 Å²	32.5	50%	0.5	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-20.4	-178.9	-67.8	174.9	178.5	0	0	113.2	Q104 C106 L107 N111	Q104-E109 HydrophobicContact CB-CB 4.07Å; Q104-E109 HydrophobicContact CG-CB 4.03Å; Q104-E109 WeakPolarHBondContact CG-O 3.48Å; C106-E109 PolarHBondContact O-N 3.48Å; C106-E109 VanDerWaalsContact SG-CD 3.51Å; C106-E109 VanDerWaalsContact SG-CG 3.51Å; L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 PolarHBondContact O-N 3.47Å; E109-N111 PolarHBondContact O-N 2.92Å; E109-N111 VanDerWaalsContact O-N 3.12Å; E109-N111 PolarHBondContact O-ND2 2.82Å
110	F	95	Very high	94.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.			trans	-55.7	117	-174.5	176.3	-140.5	0	0	0	111.8	F70 T102 C106 L107 L113 K362 L365 F366	F70-F110 HydrophobicContact CE1-CE1 4.21Å; F70-F110 AromaticContact CE2-CD1 3.79Å; F70-F110 HydrophobicContact CE2-CD1 3.79Å; F70-F110 HydrophobicContact CE2-CD2 4.49Å; F70-F110 AromaticContact CE2-CE1 3.79Å; F70-F110 HydrophobicContact CE2-CE1 3.79Å; F70-F110 HydrophobicContact CE2-CE2 4.45Å; F70-F110 HydrophobicContact CE2-CG 4.18Å; F70-F110 HydrophobicContact CE2-CZ 4.12Å; F70-F110 AromaticContact CZ-CD1 3.68Å; F70-F110 HydrophobicContact CZ-CD1 3.68Å; F70-F110 AromaticContact CZ-CE1 3.24Å; F70-F110 HydrophobicContact CZ-CE1 3.24Å; F70-F110 HydrophobicContact CZ-CE2 4.39Å; F70-F110 HydrophobicContact CZ-CG 4.45Å; F70-F110 AromaticContact CZ-CZ 3.64Å; F70-F110 HydrophobicContact CZ-CZ 3.64Å; T102-F110 HydrophobicContact CG2-CD2 4.15Å; T102-F110 HydrophobicContact CG2-CE2 4.17Å; T102-F110 WeakPolarHBondContact OG1-CD2 3.32Å; C106-F110 PolarHBondContact O-N 3.18Å; C106-F110 VanDerWaalsContact O-N 3.09Å; L107-F110 PolarHBondContact O-N 2.85Å; F110-L113 HydrophobicContact CE2-CB 4.31Å; F110-K362 HydrophobicContact CD1-CG 3.83Å; F110-K362 HydrophobicContact CE1-CG 4.41Å; F110-K362 WeakPolarHBondContact O-CE 3.3Å; F110-K362 PolarHBondContact O-NZ 3.02Å; F110-L365 HydrophobicContact CE1-CB 4.34Å; F110-L365 HydrophobicContact CE1-CD2 4.38Å; F110-L365 HydrophobicContact CE1-CG 4.08Å; F110-L365 HydrophobicContact CZ-CD2 4.2Å; F110-L365 HydrophobicContact CZ-CG 4.01Å; F110-F366 HydrophobicContact CB-CD2 3.74Å; F110-F366 HydrophobicContact CB-CE2 4.09Å; F110-F366 HydrophobicContact CD1-CB 3.65Å; F110-F366 AromaticContact CD1-CD2 3.58Å; F110-F366 HydrophobicContact CD1-CD2 3.58Å; F110-F366 HydrophobicContact CD1-CG 4.03Å; F110-F366 HydrophobicContact CD2-CD2 4.05Å; F110-F366 HydrophobicContact CE1-CB 3.77Å; F110-F366 HydrophobicContact CE1-CD2 4.08Å; F110-F366 HydrophobicContact CE1-CG 4.44Å; F110-F366 HydrophobicContact CG-CB 4.48Å; F110-F366 AromaticContact CG-CD2 3.54Å; F110-F366 HydrophobicContact CG-CD2 3.54Å; F110-F366 HydrophobicContact CG-CE2 4.24Å; F110-F366 HydrophobicContact CG-CG 4.4Å
111	N	92.8	Very high	94.3	Very high	86 Å²	86	38.2 Å²	38.2	46%	0.46	20%	0.197	S	C	.	.			trans	-147.9	-27.8	179.2	-78.2	-68.1	0	0	0	112.4	Q104 E109	Q104-N111 VanDerWaalsContact OE1-N 3.16Å; E109-N111 PolarHBondContact O-N 2.92Å; E109-N111 VanDerWaalsContact O-N 3.12Å; E109-N111 PolarHBondContact O-ND2 2.82Å
112	D	93.6	Very high	94.1	Very high	33 Å²	33	39.3 Å²	39.3	18%	0.176	21%	0.206	C	C	.	.			trans	-103.9	130.8	178.5	-59.6	-66.1	0	0	0	110.1	K65 T102 P103 Q104 Y114	K65-D112 WeakPolarHBondContact CE-OD1 3.15Å; K65-D112 IonicContact NZ-OD1 3.48Å; K65-D112 PolarHBondContact NZ-OD1 3Å; T102-D112 WeakPolarHBondContact CB-O 3.36Å; T102-D112 PolarHBondContact OG1-O 2.94Å; P103-D112 HydrophobicContact CG-CB 4.28Å; Q104-D112 PolarHBondContact NE2-OD2 2.81Å; Q104-D112 PolarHBondContact OE1-O 3.01Å; D112-Y114 HydrophobicContact CB-CE2 3.66Å
113	L	95.3	Very high	93.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.			trans	-126.8	131.4	171.2	173	59.9	0	0	0	109	L66 V83 F110 I115 L365 I369	L66-L113 HydrophobicContact CD1-CB 4.49Å; L66-L113 HydrophobicContact CD1-CD2 3.75Å; L66-L113 HydrophobicContact CD1-CG 4.28Å; L66-L113 PolarHBondContact N-O 2.9Å; V83-L113 HydrophobicContact CG2-CD2 3.69Å; F110-L113 HydrophobicContact CE2-CB 4.31Å; L113-I115 HydrophobicContact CG-CG1 4.42Å; L113-L365 HydrophobicContact CD2-CD1 3.98Å; L113-L365 HydrophobicContact CD2-CD2 3.87Å; L113-L365 HydrophobicContact CD2-CG 4.27Å; L113-I369 HydrophobicContact CD1-CD1 3.47Å; L113-I369 VanDerWaalsContact CD1-CD1 3.47Å; L113-I369 HydrophobicContact CD1-CG1 3.84Å; L113-I369 HydrophobicContact CD2-CD1 4.45Å
114	Y	96.3	Very high	93.9	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.4	177.4	-58.6	-91.1	0	0	0	109.4	M29 L30 I31 I63 K64 K65 A100 F101 P103 D112	M29-Y114 HydrophobicContact CB-CE1 4.21Å; M29-Y114 HydrophobicContact CE-CD1 4.23Å; M29-Y114 HydrophobicContact CE-CE1 3.91Å; L30-Y114 PolarHBondContact N-OH 3.27Å; L30-Y114 VanDerWaalsContact O-CE2 3.32Å; L30-Y114 WeakPolarHBondContact O-CE2 3.41Å; I31-Y114 HydrophobicContact CD1-CD1 3.33Å; I31-Y114 HydrophobicContact CD1-CE1 3.28Å; I31-Y114 HydrophobicContact CD1-CG 4.07Å; I31-Y114 HydrophobicContact CG1-CE1 4.39Å; I63-Y114 HydrophobicContact CG2-CD1 4.17Å; K64-Y114 WeakPolarHBondContact O-CA 3.16Å; K65-Y114 HydrophobicContact CB-CD1 3.82Å; K65-Y114 HydrophobicContact CB-CE1 3.68Å; K65-Y114 HydrophobicContact CD-CE1 3.7Å; K65-Y114 HydrophobicContact CG-CD1 4.08Å; K65-Y114 HydrophobicContact CG-CE1 3.58Å; A100-Y114 WeakPolarHBondContact CA-O 3.49Å; F101-Y114 AromaticContact CD2-CD2 3.84Å; F101-Y114 HydrophobicContact CD2-CD2 3.84Å; F101-Y114 HydrophobicContact CD2-CG 4.18Å; F101-Y114 HydrophobicContact CE1-CG 4.49Å; F101-Y114 HydrophobicContact CE2-CD1 4.42Å; F101-Y114 AromaticContact CE2-CD2 3.47Å; F101-Y114 HydrophobicContact CE2-CD2 3.47Å; F101-Y114 VanDerWaalsContact CE2-CD2 3.47Å; F101-Y114 HydrophobicContact CE2-CE2 4.28Å; F101-Y114 AromaticContact CE2-CG 3.56Å; F101-Y114 HydrophobicContact CE2-CG 3.56Å; F101-Y114 VanDerWaalsContact CZ-CB 3.44Å; F101-Y114 HydrophobicContact CZ-CD1 4.38Å; F101-Y114 HydrophobicContact CZ-CD2 4.15Å; F101-Y114 AromaticContact CZ-CG 3.74Å; F101-Y114 HydrophobicContact CZ-CG 3.74Å; F101-Y114 PolarHBondContact N-O 3.34Å; F101-Y114 PolarHBondContact O-N 3.35Å; P103-Y114 HydrophobicContact CG-CE2 4.13Å; D112-Y114 HydrophobicContact CB-CE2 3.66Å
115	I	95	Very high	93.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.3	177.4	-60.8	177.5	0	0	0	107.1	I63 K64 L66 E82 V83 M86 L97 L113 M117	I63-I115 CarbonylContact C-O 3.52Å; I63-I115 WeakPolarHBondContact CA-O 3.48Å; K64-I115 HydrophobicContact CB-CB 4.41Å; K64-I115 PolarHBondContact N-O 3.09Å; K64-I115 PolarHBondContact O-N 2.51Å; L66-I115 HydrophobicContact CD1-CD1 4.29Å; L66-I115 HydrophobicContact CD2-CD1 4.33Å; L66-I115 HydrophobicContact CG-CD1 4.35Å; E82-I115 HydrophobicContact CG-CD1 4.2Å; V83-I115 HydrophobicContact CG2-CD1 4.03Å; V83-I115 HydrophobicContact CG2-CG1 4.45Å; M86-I115 HydrophobicContact CE-CG2 3.72Å; M86-I115 HydrophobicContact SD-CG2 3.83Å; L97-I115 HydrophobicContact CD1-CG2 3.57Å; L113-I115 HydrophobicContact CG-CG1 4.42Å; I115-M117 HydrophobicContact CG2-CG 4.06Å; I115-M117 HydrophobicContact CG2-SD 4.26Å
116	V	96.5	Very high	94	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.3	179.4	-171.1	0	0	0	0	109.1	Y35 V61 A62 I63 L98 N99 F101	Y35-V116 HydrophobicContact CE1-CG1 4Å; Y35-V116 HydrophobicContact CE1-CG2 4.48Å; Y35-V116 HydrophobicContact CE2-CG2 3.93Å; V61-V116 HydrophobicContact CB-CG1 3.72Å; V61-V116 HydrophobicContact CG1-CG1 4.14Å; V61-V116 HydrophobicContact CG2-CG1 3.77Å; A62-V116 CarbonylContact O-C 3.51Å; A62-V116 WeakPolarHBondContact O-CA 3.25Å; I63-V116 HydrophobicContact CG1-CG1 4.28Å; I63-V116 HydrophobicContact CG1-CG2 4.18Å; I63-V116 HydrophobicContact CG2-CG2 4.4Å; L98-V116 HydrophobicContact CB-CG1 4.34Å; L98-V116 PolarHBondContact N-O 3.21Å; N99-V116 HydrophobicContact CB-CB 3.74Å; N99-V116 HydrophobicContact CB-CG1 4.48Å; N99-V116 HydrophobicContact CB-CG2 3.84Å; N99-V116 PolarHBondContact N-O 3.29Å; N99-V116 PolarHBondContact O-N 3.4Å; F101-V116 HydrophobicContact CD1-CG2 4.2Å; F101-V116 HydrophobicContact CE1-CG2 3.69Å
117	M	95.6	Very high	94	Very high	17 Å²	17	42.9 Å²	42.9	8%	0.084	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	167.1	-173.5	-65.9	170.1	-66.9	0	0	110	V61 A62 K64 M86 I95 I115 L119	V61-M117 WeakPolarHBondContact CA-O 3.46Å; V61-M117 WeakPolarHBondContact CB-O 3.26Å; A62-M117 PolarHBondContact N-O 3.49Å; A62-M117 PolarHBondContact O-N 2.85Å; K64-M117 HydrophobicContact CB-CE 3.81Å; M86-M117 HydrophobicContact CE-CG 3.5Å; M86-M117 VanDerWaalsContact CE-CG 3.5Å; M86-M117 HydrophobicContact CE-SD 3.67Å; I95-M117 HydrophobicContact CD1-CB 4.24Å; I95-M117 HydrophobicContact CG1-CB 3.84Å; I95-M117 HydrophobicContact CG1-CG 4.02Å; I95-M117 HydrophobicContact CG1-SD 4Å; I95-M117 HydrophobicContact CG2-SD 4.38Å; I115-M117 HydrophobicContact CG2-CG 4.06Å; I115-M117 HydrophobicContact CG2-SD 4.26Å; M117-L119 PolarHBondContact O-N 3.5Å
118	E	93.4	Very high	93.9	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.22	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	135.8	168.5	-59.5	167.2	95.7	0	0	110.3	I95 A96 L98 K175	I95-E118 HydrophobicContact CD1-CB 3.95Å; A96-E118 HydrophobicContact CB-CG 4.38Å; A96-E118 WeakPolarHBondContact CB-OE2 3.45Å; A96-E118 PolarHBondContact N-OE2 2.78Å; L98-E118 HydrophobicContact CD1-CG 4.05Å; L98-E118 HydrophobicContact CD2-CG 4.11Å; L98-E118 HydrophobicContact CG-CG 4.23Å; E118-K175 WeakPolarHBondContact OE1-CE 3.36Å; E118-K175 IonicContact OE1-NZ 2.79Å; E118-K175 PolarHBondContact OE1-NZ 3.39Å; E118-K175 WeakPolarHBondContact OE2-CD 3.26Å; E118-K175 WeakPolarHBondContact OE2-CE 3.2Å; E118-K175 IonicContact OE2-NZ 3.6Å; E118-K175 PolarHBondContact OE2-NZ 3.32Å
119	L	95.4	Very high	93.7	Very high	42 Å²	42	40.5 Å²	40.5	22%	0.22	21%	0.21	C	C	.	.			trans	-77.9	134.4	170.8	-172.7	63	0	0	0	109.9	I41 S60 A62 M117 K169	I41-L119 HydrophobicContact CD1-CD1 3.71Å; S60-L119 WeakPolarHBondContact O-CB 3.26Å; A62-L119 HydrophobicContact CB-CD1 4.02Å; M117-L119 PolarHBondContact O-N 3.5Å; L119-K169 WeakPolarHBondContact O-CE 3.47Å
120	M	95.2	Very high	93.7	Very high	22 Å²	22	41.1 Å²	41.1	11%	0.108	21%	0.214	C	C	.	.			trans	-119.7	158.6	177.2	-58	-68.2	-74.1	0	0	109.1	I95 V167 K169 K175	I95-M120 HydrophobicContact CD1-CG 4.42Å; M120-V167 HydrophobicContact CB-CB 3.74Å; M120-V167 HydrophobicContact CB-CG1 4.48Å; M120-V167 HydrophobicContact CB-CG2 3.99Å; M120-V167 HydrophobicContact CE-CG2 4.22Å; M120-V167 HydrophobicContact CG-CB 3.92Å; M120-V167 HydrophobicContact CG-CG2 3.57Å; M120-K169 HydrophobicContact CE-CG 3.76Å; M120-K169 HydrophobicContact SD-CD 4.15Å; M120-K169 VanDerWaalsContact SD-CE 3.54Å; M120-K169 HydrophobicContact SD-CG 3.76Å; M120-K175 HydrophobicContact CE-CB 4.19Å; M120-K175 HydrophobicContact CE-CD 4.05Å; M120-K175 HydrophobicContact CE-CG 4.22Å; M120-K175 HydrophobicContact SD-CD 3.91Å
121	D	93	Very high	93.4	Very high	103 Å²	103	50.5 Å²	50.5	55%	0.551	26%	0.258	S	S	*	.	S	Bend	trans	-83.3	-36.2	-169.6	-60.4	-38.1	0	0	0	112.5	V168 K169 S170	D121-V168 PolarHBondContact N-O 3.31Å; D121-K169 WeakPolarHBondContact OD2-CA 2.77Å; D121-K169 WeakPolarHBondContact OD2-CB 3.08Å; D121-S170 PolarHBondContact OD2-N 2.99Å
122	A	92.2	Very high	93.5	Very high	24 Å²	24	47.6 Å²	47.6	20%	0.198	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164.8	-175.3	0	0	0	0	0	111.7	Q126 V167 V168	A122-Q126 VanDerWaalsContact CA-OE1 3.27Å; A122-Q126 HydrophobicContact CB-CB 4.41Å; A122-V167 CarbonylContact O-C 3.47Å; A122-V167 VanDerWaalsContact O-CA 3.26Å; A122-V167 WeakPolarHBondContact O-CA 3.38Å; A122-V167 WeakPolarHBondContact O-CB 3.47Å; A122-V168 HydrophobicContact CB-CG2 4Å; A122-V168 PolarHBondContact N-O 2.89Å; A122-V168 VanDerWaalsContact N-O 3.15Å; A122-V168 PolarHBondContact O-N 3.41Å
123	N	91.9	Very high	93.6	Very high	49 Å²	49	48.4 Å²	48.4	26%	0.262	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	165.9	162	66.2	45.5	0	0	0	111	C125 Q126 I166 V167	N123-C125 PolarHBondContact O-N 2.92Å; N123-C125 WeakPolarHBondContact OD1-CB 3.32Å; N123-C125 PolarHBondContact OD1-N 3.28Å; N123-Q126 VanDerWaalsContact N-OE1 3.12Å; N123-Q126 PolarHBondContact O-N 2.86Å; N123-Q126 VanDerWaalsContact O-N 3.11Å; N123-Q126 PolarHBondContact OD1-N 3.29Å; N123-I166 CarbonylContact C-O 3.54Å; N123-I166 VanDerWaalsContact CA-O 3.26Å; N123-I166 WeakPolarHBondContact CA-O 3.32Å; N123-I166 WeakPolarHBondContact CB-O 3.27Å; N123-V167 HydrophobicContact CB-CG1 4.17Å
124	L	94.4	Very high	93.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-17.6	-175.5	-160	73.9	0	0	0	112.7	Q126 V127 I128 L140 M144 P163 I166 V168 I223 M227	L124-Q126 PolarHBondContact O-N 3.03Å; L124-V127 HydrophobicContact CD1-CB 3.88Å; L124-V127 HydrophobicContact CD1-CG1 3.97Å; L124-V127 HydrophobicContact CD1-CG2 4.2Å; L124-V127 HydrophobicContact CG-CB 4.46Å; L124-V127 PolarHBondContact O-N 3.23Å; L124-I128 HydrophobicContact CG-CD1 4.39Å; L124-I128 HydrophobicContact CG-CG1 4.48Å; L124-I128 WeakPolarHBondContact O-CB 3.25Å; L124-I128 WeakPolarHBondContact O-CD1 3.13Å; L124-I128 VanDerWaalsContact O-CG1 3.28Å; L124-I128 WeakPolarHBondContact O-CG1 3.37Å; L124-I128 PolarHBondContact O-N 2.98Å; L124-L140 HydrophobicContact CD1-CD1 4.32Å; L124-M144 HydrophobicContact CD2-SD 4.24Å; L124-P163 HydrophobicContact CB-CB 3.98Å; L124-P163 WeakPolarHBondContact CB-O 3.22Å; L124-P163 PolarHBondContact N-O 2.83Å; L124-I166 HydrophobicContact CB-CB 4.07Å; L124-I166 HydrophobicContact CB-CG2 4.18Å; L124-I166 HydrophobicContact CD2-CB 4.35Å; L124-I166 HydrophobicContact CD2-CD1 4.27Å; L124-I166 HydrophobicContact CD2-CG2 4.18Å; L124-I166 PolarHBondContact N-O 2.86Å; L124-V168 HydrophobicContact CD1-CG1 4.2Å; L124-I223 HydrophobicContact CD2-CG2 3.3Å; L124-M227 HydrophobicContact CD1-SD 4.44Å; L124-M227 HydrophobicContact CD2-SD 4.49Å
125	C	92.1	Very high	93.8	Very high	53 Å²	53	52.6 Å²	52.6	36%	0.358	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-37.9	171.9	-54.4	0	0	0	0	111.4	N123 P163 S164	N123-C125 PolarHBondContact O-N 2.92Å; N123-C125 WeakPolarHBondContact OD1-CB 3.32Å; N123-C125 PolarHBondContact OD1-N 3.28Å; C125-P163 HydrophobicContact CB-CB 4.46Å; C125-S164 PolarHBondContact SG-N 3.44Å; C125-S164 VanDerWaalsContact SG-N 3.44Å
126	Q	91.4	Very high	93.9	Very high	110 Å²	110	58.4 Å²	58.4	51%	0.514	29%	0.288	S	S	.	.	H	α-helix	trans	-73.1	-39	178.4	-63.8	168.3	-69.8	0	0	110.8	A122 N123 L124 Q129	A122-Q126 VanDerWaalsContact CA-OE1 3.27Å; A122-Q126 HydrophobicContact CB-CB 4.41Å; N123-Q126 VanDerWaalsContact N-OE1 3.12Å; N123-Q126 PolarHBondContact O-N 2.86Å; N123-Q126 VanDerWaalsContact O-N 3.11Å; N123-Q126 PolarHBondContact OD1-N 3.29Å; L124-Q126 PolarHBondContact O-N 3.03Å; Q126-Q129 PolarHBondContact O-N 3.18Å
127	V	92.7	Very high	93.9	Very high	12 Å²	12	58.6 Å²	58.6	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-39.1	179.3	-179.9	0	0	0	0	112.1	L124 Q129 M130 L132 L140 V168	L124-V127 HydrophobicContact CD1-CB 3.88Å; L124-V127 HydrophobicContact CD1-CG1 3.97Å; L124-V127 HydrophobicContact CD1-CG2 4.2Å; L124-V127 HydrophobicContact CG-CB 4.46Å; L124-V127 PolarHBondContact O-N 3.23Å; V127-Q129 PolarHBondContact O-N 2.93Å; V127-Q129 VanDerWaalsContact O-N 3.15Å; V127-M130 WeakPolarHBondContact O-CB 3.34Å; V127-M130 PolarHBondContact O-N 3.14Å; V127-L132 HydrophobicContact CG1-CD1 3.94Å; V127-L132 HydrophobicContact CG1-CD2 4.08Å; V127-L140 HydrophobicContact CG1-CD1 3.96Å; V127-V168 HydrophobicContact CG2-CG1 4.39Å; V127-V168 HydrophobicContact CG2-CG2 3.43Å; V127-V168 VanDerWaalsContact CG2-CG2 3.43Å
128	I	92.5	Very high	94	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26	177.1	-78.5	161.3	0	0	0	112.6	L124 M130 P163 E226 M227	L124-I128 HydrophobicContact CG-CD1 4.39Å; L124-I128 HydrophobicContact CG-CG1 4.48Å; L124-I128 WeakPolarHBondContact O-CB 3.25Å; L124-I128 WeakPolarHBondContact O-CD1 3.13Å; L124-I128 VanDerWaalsContact O-CG1 3.28Å; L124-I128 WeakPolarHBondContact O-CG1 3.37Å; L124-I128 PolarHBondContact O-N 2.98Å; I128-M130 VanDerWaalsContact C-N 3.28Å; I128-P163 HydrophobicContact CD1-CB 3.63Å; I128-P163 HydrophobicContact CD1-CG 3.45Å; I128-P163 VanDerWaalsContact CD1-CG 3.45Å; I128-E226 HydrophobicContact CD1-CG 3.92Å; I128-E226 HydrophobicContact CG1-CG 4.36Å; I128-E226 HydrophobicContact CG2-CG 3.62Å; I128-M227 HydrophobicContact CG1-CG 3.66Å
129	Q	90.5	Very high	94.3	Very high	141 Å²	141	58.6 Å²	58.6	66%	0.659	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.6	178.7	-59.1	-60.1	-54	0	0	113	Q126 V127 G230	Q126-Q129 PolarHBondContact O-N 3.18Å; V127-Q129 PolarHBondContact O-N 2.93Å; V127-Q129 VanDerWaalsContact O-N 3.15Å; Q129-G230 PolarHBondContact NE2-O 3.11Å
130	M	92	Very high	94.4	Very high	119 Å²	119	56.8 Å²	56.8	59%	0.586	28%	0.277	S	S	*	.	S	Bend	trans	-96.9	154.4	178.6	-57.7	174.7	63.1	0	0	110.7	V127 I128 L132	V127-M130 WeakPolarHBondContact O-CB 3.34Å; V127-M130 PolarHBondContact O-N 3.14Å; I128-M130 VanDerWaalsContact C-N 3.28Å; M130-L132 PolarHBondContact O-N 3.37Å
131	E	89.2	Confident	94.6	Very high	198 Å²	198	55.7 Å²	55.7	93%	0.925	27%	0.272	S	S	*	.			trans	-74.5	117.5	166.7	-68.5	-175.5	170.3	0	0	109.3
132	L	94.6	Very high	94.8	Very high	24 Å²	24	50.9 Å²	50.9	13%	0.126	25%	0.246	C	C	.	.			trans	-110	134.4	177.3	-59.3	172.8	0	0	0	109.8	V127 M130 R136 M137 L140 M227 P290	V127-L132 HydrophobicContact CG1-CD1 3.94Å; V127-L132 HydrophobicContact CG1-CD2 4.08Å; M130-L132 PolarHBondContact O-N 3.37Å; L132-R136 HydrophobicContact CD2-CB 4.26Å; L132-M137 HydrophobicContact CB-CG 3.53Å; L132-M137 HydrophobicContact CB-SD 4.39Å; L132-M137 HydrophobicContact CD1-CG 3.85Å; L132-M137 HydrophobicContact CG-CG 4.36Å; L132-L140 HydrophobicContact CD1-CD1 4.34Å; L132-M227 HydrophobicContact CD1-SD 4.28Å; L132-P290 WeakPolarHBondContact O-CG 3.35Å
133	D	96.6	Very high	95.2	Very high	51 Å²	51	49.8 Å²	49.8	27%	0.273	24%	0.237	S	C	.	.			trans	-75.5	171	165.9	55.2	40.9	0	0	0	111.2	E135 R136 M137	D133-E135 VanDerWaalsContact C-N 3.26Å; D133-E135 PolarHBondContact O-N 3.27Å; D133-E135 PolarHBondContact OD1-N 3.45Å; D133-R136 PolarHBondContact O-N 3.08Å; D133-R136 VanDerWaalsContact OD1-CB 3.32Å; D133-R136 WeakPolarHBondContact OD1-CB 3.35Å; D133-R136 VanDerWaalsContact OD1-CG 3.27Å; D133-R136 WeakPolarHBondContact OD1-CG 3.27Å; D133-R136 PolarHBondContact OD1-N 3.04Å; D133-R136 IonicContact OD2-CZ 3.24Å; D133-R136 IonicContact OD2-NH1 2.85Å; D133-R136 PolarHBondContact OD2-NH1 3.43Å; D133-M137 WeakPolarHBondContact O-CG 3.3Å; D133-M137 PolarHBondContact O-N 3.21Å
134	H	97.7	Very high	95.5	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-33.5	178.7	-74.9	-63.3	0	0	0	113	S138 F289 P290 P291 L298 A300 Y329	H134-S138 VanDerWaalsContact O-CB 3.23Å; H134-S138 WeakPolarHBondContact O-CB 3.43Å; H134-S138 PolarHBondContact O-N 2.89Å; H134-S138 PolarHBondContact O-OG 3Å; H134-F289 AromaticContact CE1-CD1 3.99Å; H134-P290 PolarHBondContact NE2-O 3.28Å; H134-P291 PolarHBondContact CD2-O 3.46Å; H134-L298 HydrophobicContact CB-CB 3.87Å; H134-L298 PolarHBondContact CD2-O 3.35Å; H134-A300 PolarHBondContact CE1-N 3.02Å; H134-A300 PolarHBondContact NE2-N 2.99Å; H134-Y329 HydrophobicContact CB-CE2 4.24Å; H134-Y329 AromaticContact ND1-CE2 3.45Å; H134-Y329 WeakPolarHBondContact ND1-CE2 3.46Å; H134-Y329 AromaticContact ND1-CZ 3.56Å; H134-Y329 PolarHBondContact ND1-OH 3.33Å
135	E	97.4	Very high	95.7	Very high	87 Å²	87	47.5 Å²	47.5	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-51.1	179.9	-73	171.8	-159.4	0	0	110.9	D133 S138 Y139 S293 L298 W333	D133-E135 VanDerWaalsContact C-N 3.26Å; D133-E135 PolarHBondContact O-N 3.27Å; D133-E135 PolarHBondContact OD1-N 3.45Å; E135-S138 PolarHBondContact O-OG 2.91Å; E135-Y139 VanDerWaalsContact O-CB 3.22Å; E135-Y139 WeakPolarHBondContact O-CB 3.37Å; E135-Y139 PolarHBondContact O-N 3.32Å; E135-S293 PolarHBondContact OE1-OG 3.22Å; E135-L298 HydrophobicContact CB-CD1 4.43Å; E135-L298 HydrophobicContact CG-CD1 3.51Å; E135-W333 HydrophobicContact CB-CZ2 4.17Å; E135-W333 HydrophobicContact CG-CZ2 4.49Å
136	R	97	Very high	96	Very high	122 Å²	122	45 Å²	45	46%	0.46	21%	0.207	S	C	.	.	H	α-helix	trans	-64.4	-45.3	177.8	-70.3	171.6	172.7	123.4	-7.8	111.8	L132 D133 Y139 L140	L132-R136 HydrophobicContact CD2-CB 4.26Å; D133-R136 PolarHBondContact O-N 3.08Å; D133-R136 VanDerWaalsContact OD1-CB 3.32Å; D133-R136 WeakPolarHBondContact OD1-CB 3.35Å; D133-R136 VanDerWaalsContact OD1-CG 3.27Å; D133-R136 WeakPolarHBondContact OD1-CG 3.27Å; D133-R136 PolarHBondContact OD1-N 3.04Å; D133-R136 IonicContact OD2-CZ 3.24Å; D133-R136 IonicContact OD2-NH1 2.85Å; D133-R136 PolarHBondContact OD2-NH1 3.43Å; R136-Y139 PolarHBondContact O-N 3.4Å; R136-L140 WeakPolarHBondContact O-CB 3.23Å; R136-L140 VanDerWaalsContact O-CG 3.25Å; R136-L140 WeakPolarHBondContact O-CG 3.27Å; R136-L140 PolarHBondContact O-N 2.91Å
137	M	97.5	Very high	96.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-49	178.6	-76.8	-166.9	-75.6	0	0	112	L132 D133 Y139 L140 L141 F224 I228 P290	L132-M137 HydrophobicContact CB-CG 3.53Å; L132-M137 HydrophobicContact CB-SD 4.39Å; L132-M137 HydrophobicContact CD1-CG 3.85Å; L132-M137 HydrophobicContact CG-CG 4.36Å; D133-M137 WeakPolarHBondContact O-CG 3.3Å; D133-M137 PolarHBondContact O-N 3.21Å; M137-Y139 VanDerWaalsContact C-N 3.33Å; M137-Y139 PolarHBondContact O-N 3.07Å; M137-L140 PolarHBondContact O-N 2.68Å; M137-L141 WeakPolarHBondContact O-CB 3.42Å; M137-L141 PolarHBondContact O-N 3.41Å; M137-F224 HydrophobicContact SD-CE2 4.38Å; M137-I228 HydrophobicContact SD-CG1 3.95Å; M137-P290 VanDerWaalsContact CE-CD 3.49Å; M137-P290 HydrophobicContact CE-CG 3.56Å
138	S	98.2	Very high	96.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-36.4	179.7	55.5	0	0	0	0	112	H134 E135 L141 Y142 L298 Y329 W333	H134-S138 VanDerWaalsContact O-CB 3.23Å; H134-S138 WeakPolarHBondContact O-CB 3.43Å; H134-S138 PolarHBondContact O-N 2.89Å; H134-S138 PolarHBondContact O-OG 3Å; E135-S138 PolarHBondContact O-OG 2.91Å; S138-L141 PolarHBondContact O-N 3.38Å; S138-Y142 WeakPolarHBondContact O-CB 3.41Å; S138-Y142 PolarHBondContact O-N 3.48Å; S138-L298 VanDerWaalsContact OG-CD2 3.26Å; S138-L298 WeakPolarHBondContact OG-CD2 3.44Å; S138-Y329 WeakPolarHBondContact CB-O 3.36Å; S138-W333 PolarHBondContact OG-NE1 3.42Å
139	Y	98.3	Very high	96.5	Very high	64 Å²	64	41.1 Å²	41.1	25%	0.251	19%	0.187	S	C	.	.	H	α-helix	trans	-69.6	-40.5	178.2	-173.1	-126.1	0	0	0	112.6	E135 R136 M137 L141 Y142 Q143 C172 W333	E135-Y139 VanDerWaalsContact O-CB 3.22Å; E135-Y139 WeakPolarHBondContact O-CB 3.37Å; E135-Y139 PolarHBondContact O-N 3.32Å; R136-Y139 PolarHBondContact O-N 3.4Å; M137-Y139 VanDerWaalsContact C-N 3.33Å; M137-Y139 PolarHBondContact O-N 3.07Å; Y139-L141 VanDerWaalsContact C-N 3.31Å; Y139-L141 PolarHBondContact O-N 2.68Å; Y139-Y142 HydrophobicContact CD2-CD1 4.06Å; Y139-Y142 HydrophobicContact CE2-CD1 4.07Å; Y139-Y142 HydrophobicContact CE2-CE1 4.43Å; Y139-Y142 PolarHBondContact O-N 2.8Å; Y139-Q143 VanDerWaalsContact CD1-NE2 3.26Å; Y139-Q143 HydrophobicContact CE2-CG 4.25Å; Y139-Q143 VanDerWaalsContact O-CG 3.3Å; Y139-Q143 WeakPolarHBondContact O-CG 3.13Å; Y139-Q143 PolarHBondContact O-N 3.43Å; Y139-Q143 PolarHBondContact O-NE2 3.03Å; Y139-C172 HydrophobicContact CD1-CB 4.18Å; Y139-C172 HydrophobicContact CE1-CB 4.45Å; Y139-W333 HydrophobicContact CD2-CB 4.32Å; Y139-W333 AromaticContact CD2-CD2 3.67Å; Y139-W333 HydrophobicContact CD2-CD2 3.67Å; Y139-W333 AromaticContact CD2-CE3 3.86Å; Y139-W333 HydrophobicContact CD2-CE3 3.86Å; Y139-W333 AromaticContact CD2-CG 3.87Å; Y139-W333 HydrophobicContact CD2-CG 3.87Å; Y139-W333 HydrophobicContact CD2-CZ3 4.47Å; Y139-W333 HydrophobicContact CE2-CE3 4.36Å; Y139-W333 HydrophobicContact CG-CD2 4.33Å
140	L	98.4	Very high	96.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-41.8	171.7	-69.2	169.8	0	0	0	110.8	L124 V127 L132 R136 M137 Q143 M144 V168 L174 M227	L124-L140 HydrophobicContact CD1-CD1 4.32Å; V127-L140 HydrophobicContact CG1-CD1 3.96Å; L132-L140 HydrophobicContact CD1-CD1 4.34Å; R136-L140 WeakPolarHBondContact O-CB 3.23Å; R136-L140 VanDerWaalsContact O-CG 3.25Å; R136-L140 WeakPolarHBondContact O-CG 3.27Å; R136-L140 PolarHBondContact O-N 2.91Å; M137-L140 PolarHBondContact O-N 2.68Å; L140-Q143 PolarHBondContact O-N 2.71Å; L140-M144 WeakPolarHBondContact O-CG 3.25Å; L140-M144 PolarHBondContact O-N 2.58Å; L140-V168 HydrophobicContact CD2-CG1 3.92Å; L140-L174 HydrophobicContact CB-CD1 4.27Å; L140-L174 HydrophobicContact CD2-CB 4.21Å; L140-L174 HydrophobicContact CD2-CD1 3.85Å; L140-M227 HydrophobicContact CD1-SD 4.46Å
141	L	98.4	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-45.3	178	-171.2	59.4	0	0	0	112.5	M137 S138 Y139 Q143 M144 L145 V220 F224 L306 M310 Y329 V330	M137-L141 WeakPolarHBondContact O-CB 3.42Å; M137-L141 PolarHBondContact O-N 3.41Å; S138-L141 PolarHBondContact O-N 3.38Å; Y139-L141 VanDerWaalsContact C-N 3.31Å; Y139-L141 PolarHBondContact O-N 2.68Å; L141-Q143 PolarHBondContact O-N 3.44Å; L141-M144 HydrophobicContact CB-CE 4.38Å; L141-M144 HydrophobicContact CD1-CE 3.81Å; L141-M144 PolarHBondContact O-N 3.39Å; L141-L145 HydrophobicContact CG-CD1 4.2Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.28Å; L141-L145 PolarHBondContact O-N 3.38Å; L141-V220 HydrophobicContact CD1-CG1 3.22Å; L141-F224 HydrophobicContact CD1-CB 4.44Å; L141-F224 HydrophobicContact CD2-CD1 3.85Å; L141-F224 HydrophobicContact CD2-CD2 4.5Å; L141-F224 HydrophobicContact CD2-CE1 3.9Å; L141-F224 HydrophobicContact CD2-CG 4.17Å; L141-F224 HydrophobicContact CD2-CZ 4.24Å; L141-L306 HydrophobicContact CD2-CD2 3.49Å; L141-L306 VanDerWaalsContact CD2-CD2 3.49Å; L141-M310 HydrophobicContact CD1-CE 4.2Å; L141-M310 HydrophobicContact CD2-CE 4.35Å; L141-Y329 HydrophobicContact CD2-CD1 4.42Å; L141-V330 HydrophobicContact CD2-CG2 3.79Å; L141-V330 HydrophobicContact CG-CG2 4.03Å
142	Y	98.8	Very high	96.9	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-54.1	-52	173.2	166.5	-107.4	0	0	0	111.3	S138 Y139 M144 L145 C146 L325 V330 W333 D335 E338 V339	S138-Y142 WeakPolarHBondContact O-CB 3.41Å; S138-Y142 PolarHBondContact O-N 3.48Å; Y139-Y142 HydrophobicContact CD2-CD1 4.06Å; Y139-Y142 HydrophobicContact CE2-CD1 4.07Å; Y139-Y142 HydrophobicContact CE2-CE1 4.43Å; Y139-Y142 PolarHBondContact O-N 2.8Å; Y142-M144 PolarHBondContact O-N 3.47Å; Y142-L145 PolarHBondContact O-N 3.35Å; Y142-L145 VanDerWaalsContact O-N 3.11Å; Y142-C146 WeakPolarHBondContact CE2-SG 3.47Å; Y142-C146 PolarHBondContact O-N 3Å; Y142-C146 PolarHBondContact O-SG 2.96Å; Y142-L325 HydrophobicContact CD2-CD2 3.95Å; Y142-L325 HydrophobicContact CE2-CD2 4.21Å; Y142-V330 HydrophobicContact CD2-CG1 4.07Å; Y142-W333 HydrophobicContact CD1-CB 3.63Å; Y142-W333 HydrophobicContact CD1-CG 4.43Å; Y142-W333 HydrophobicContact CD2-CB 3.89Å; Y142-W333 HydrophobicContact CE1-CB 4.08Å; Y142-W333 HydrophobicContact CE2-CB 4.31Å; Y142-W333 WeakPolarHBondContact CE2-O 3.42Å; Y142-W333 HydrophobicContact CG-CB 3.53Å; Y142-W333 HydrophobicContact CG-CG 4.32Å; Y142-W333 PolarHBondContact OH-O 2.87Å; Y142-D335 PolarHBondContact OH-N 2.94Å; Y142-E338 VanDerWaalsContact CE1-OE2 3.25Å; Y142-E338 WeakPolarHBondContact CE1-OE2 3.45Å; Y142-E338 WeakPolarHBondContact OH-CB 3.36Å; Y142-E338 PolarHBondContact OH-OE2 3.31Å; Y142-V339 HydrophobicContact CE2-CG2 3.96Å
143	Q	98.7	Very high	96.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-39.1	-179.9	-72.7	179	89.6	0	0	113.1	N93 Y139 L140 L141 C146 G147 C172 L174	N93-Q143 VanDerWaalsContact CB-O 3.28Å; N93-Q143 WeakPolarHBondContact CB-O 3.44Å; N93-Q143 WeakPolarHBondContact ND2-CB 3.49Å; N93-Q143 WeakPolarHBondContact ND2-CG 3.49Å; N93-Q143 PolarHBondContact ND2-OE1 2.99Å; Y139-Q143 VanDerWaalsContact CD1-NE2 3.26Å; Y139-Q143 HydrophobicContact CE2-CG 4.25Å; Y139-Q143 VanDerWaalsContact O-CG 3.3Å; Y139-Q143 WeakPolarHBondContact O-CG 3.13Å; Y139-Q143 PolarHBondContact O-N 3.43Å; Y139-Q143 PolarHBondContact O-NE2 3.03Å; L140-Q143 PolarHBondContact O-N 2.71Å; L141-Q143 PolarHBondContact O-N 3.44Å; Q143-C146 PolarHBondContact O-N 3.1Å; Q143-G147 PolarHBondContact O-N 2.72Å; Q143-C172 PolarHBondContact NE2-O 3.49Å; Q143-L174 HydrophobicContact CB-CB 3.95Å; Q143-L174 HydrophobicContact CB-CD2 4.26Å
144	M	98.5	Very high	96.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-59.3	-47.8	172.3	-73.9	-173	-72.5	0	0	110.7	L124 L140 L141 Y142 G147 I148 I166 L174 I223 M227	L124-M144 HydrophobicContact CD2-SD 4.24Å; L140-M144 WeakPolarHBondContact O-CG 3.25Å; L140-M144 PolarHBondContact O-N 2.58Å; L141-M144 HydrophobicContact CB-CE 4.38Å; L141-M144 HydrophobicContact CD1-CE 3.81Å; L141-M144 PolarHBondContact O-N 3.39Å; Y142-M144 PolarHBondContact O-N 3.47Å; M144-G147 PolarHBondContact O-N 2.9Å; M144-I148 WeakPolarHBondContact O-CB 3.49Å; M144-I148 WeakPolarHBondContact O-CD1 3.41Å; M144-I148 WeakPolarHBondContact O-CG1 3.28Å; M144-I148 PolarHBondContact O-N 3.04Å; M144-I166 HydrophobicContact CG-CD1 4.12Å; M144-I166 HydrophobicContact SD-CD1 3.51Å; M144-I166 VanDerWaalsContact SD-CD1 3.51Å; M144-L174 HydrophobicContact CG-CD1 3.56Å; M144-L174 HydrophobicContact CG-CD2 3.79Å; M144-L174 HydrophobicContact CG-CG 4.37Å; M144-L174 HydrophobicContact SD-CD1 4.34Å; M144-I223 HydrophobicContact CE-CG2 4.29Å; M144-I223 HydrophobicContact SD-CG2 4.18Å; M144-M227 HydrophobicContact CE-CE 3.84Å
145	L	98.7	Very high	95.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.7	-40.1	-179.5	-69.4	167.5	0	0	0	112.3	L141 Y142 I148 R149 I217 M310 V321 A324 L325 V330	L141-L145 HydrophobicContact CG-CD1 4.2Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.28Å; L141-L145 PolarHBondContact O-N 3.38Å; Y142-L145 PolarHBondContact O-N 3.35Å; Y142-L145 VanDerWaalsContact O-N 3.11Å; L145-I148 PolarHBondContact O-N 3.28Å; L145-R149 VanDerWaalsContact O-CB 3.28Å; L145-R149 WeakPolarHBondContact O-CB 3.35Å; L145-R149 PolarHBondContact O-N 3.34Å; L145-I217 HydrophobicContact CD2-CD1 3.47Å; L145-I217 VanDerWaalsContact CD2-CD1 3.47Å; L145-M310 HydrophobicContact CD1-CE 4.27Å; L145-M310 HydrophobicContact CD2-CE 4.31Å; L145-V321 HydrophobicContact CD2-CG1 4.29Å; L145-A324 HydrophobicContact CD1-CB 3.92Å; L145-A324 HydrophobicContact CD2-CB 3.95Å; L145-L325 HydrophobicContact CB-CD2 3.55Å; L145-L325 HydrophobicContact CB-CG 3.85Å; L145-L325 HydrophobicContact CD1-CD2 4.36Å; L145-L325 HydrophobicContact CD1-CG 4.47Å; L145-V330 HydrophobicContact CD1-CG1 3.93Å; L145-V330 HydrophobicContact CD1-CG2 4.08Å
146	C	98.1	Very high	95.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.7	-46.5	174.2	-68.2	0	0	0	0	111.9	Y142 Q143 I148 R149 H150	Y142-C146 WeakPolarHBondContact CE2-SG 3.47Å; Y142-C146 PolarHBondContact O-N 3Å; Y142-C146 PolarHBondContact O-SG 2.96Å; Q143-C146 PolarHBondContact O-N 3.1Å; C146-I148 PolarHBondContact O-N 3.14Å; C146-R149 PolarHBondContact O-N 3.04Å; C146-H150 WeakPolarHBondContact O-CB 3.46Å; C146-H150 PolarHBondContact O-N 3.34Å
147	G	96.6	Very high	95.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.2	-46.2	175.8	0	0	0	0	0	112.4	I94 Q143 M144 H150 L151	I94-G147 WeakPolarHBondContact CD1-O 3.39Å; Q143-G147 PolarHBondContact O-N 2.72Å; M144-G147 PolarHBondContact O-N 2.9Å; G147-H150 PolarHBondContact O-N 2.84Å; G147-L151 WeakPolarHBondContact O-CG 2.91Å; G147-L151 PolarHBondContact O-N 3.43Å; G147-L151 VanDerWaalsContact O-N 3.11Å
148	I	96.1	Very high	94.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.2	-45.6	178.3	-68.5	165	0	0	0	111.3	M144 L145 C146 H150 L151 H152 L161 I176 D216 V220 V321	M144-I148 WeakPolarHBondContact O-CB 3.49Å; M144-I148 WeakPolarHBondContact O-CD1 3.41Å; M144-I148 WeakPolarHBondContact O-CG1 3.28Å; M144-I148 PolarHBondContact O-N 3.04Å; L145-I148 PolarHBondContact O-N 3.28Å; C146-I148 PolarHBondContact O-N 3.14Å; I148-H150 VanDerWaalsContact C-N 3.29Å; I148-H150 PolarHBondContact O-N 3.34Å; I148-L151 WeakPolarHBondContact O-CB 3.32Å; I148-L151 PolarHBondContact O-N 2.8Å; I148-L151 VanDerWaalsContact O-N 3.16Å; I148-H152 WeakPolarHBondContact CG2-CE1 3.38Å; I148-H152 WeakPolarHBondContact CG2-NE2 3.48Å; I148-H152 PolarHBondContact O-CD2 2.6Å; I148-H152 VanDerWaalsContact O-CG 3.3Å; I148-H152 PolarHBondContact O-N 3.39Å; I148-L161 HydrophobicContact CD1-CD1 3.4Å; I148-L161 VanDerWaalsContact CD1-CD1 3.4Å; I148-L161 HydrophobicContact CG1-CD1 3.79Å; I148-I176 HydrophobicContact CG1-CD1 3.87Å; I148-D216 HydrophobicContact CG2-CB 3.93Å; I148-V220 HydrophobicContact CD1-CG2 3.24Å; I148-V321 HydrophobicContact CG2-CG1 4.46Å; I148-V321 HydrophobicContact CG2-CG2 3.87Å
149	R	96.1	Very high	94.2	Very high	45 Å²	45	11.1 Å²	11.1	17%	0.17	6%	0.062	C	C	.	.	H	α-helix	trans	-57.8	-45	177.9	-171.3	-173.7	177.7	-71	-15.7	111.3	L145 C146 L151 H152 A153 V321 D322 L325 V339 Y340	L145-R149 VanDerWaalsContact O-CB 3.28Å; L145-R149 WeakPolarHBondContact O-CB 3.35Å; L145-R149 PolarHBondContact O-N 3.34Å; C146-R149 PolarHBondContact O-N 3.04Å; R149-L151 VanDerWaalsContact C-N 3.32Å; R149-L151 PolarHBondContact O-N 2.92Å; R149-H152 PolarHBondContact O-N 3.31Å; R149-A153 WeakPolarHBondContact O-CB 3.23Å; R149-A153 PolarHBondContact O-N 2.87Å; R149-V321 HydrophobicContact CB-CG1 3.76Å; R149-V321 HydrophobicContact CG-CG1 4.34Å; R149-D322 WeakPolarHBondContact CD-OD1 3.41Å; R149-D322 IonicContact CZ-OD1 2.7Å; R149-D322 IonicContact NE-OD1 2.68Å; R149-D322 PolarHBondContact NE-OD1 3.06Å; R149-D322 IonicContact NH2-OD1 3.25Å; R149-L325 HydrophobicContact CB-CD1 4.34Å; R149-L325 HydrophobicContact CG-CD1 4.49Å; R149-V339 WeakPolarHBondContact CD-O 3.39Å; R149-V339 PolarHBondContact NH1-O 3.45Å; R149-Y340 VanDerWaalsContact NH2-CE1 3.32Å
150	H	94.4	Very high	93.6	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.019	5%	0.052	C	C	.	.	H	α-helix	trans	-62.4	-39.3	178.8	-173.6	92.6	0	0	0	112	N90 H91 I94 C146 G147 I148 A154 P342 P344	N90-H150 PolarHBondContact O-CE1 3.25Å; N90-H150 PolarHBondContact O-NE2 3.41Å; H91-H150 HydrophobicContact CB-CB 4.3Å; H91-H150 AromaticContact CD2-CG 3.93Å; H91-H150 AromaticContact CD2-ND1 3.7Å; H91-H150 AromaticContact CG-CG 3.8Å; H91-H150 AromaticContact CG-ND1 3.97Å; I94-H150 HydrophobicContact CD1-CB 4.22Å; C146-H150 WeakPolarHBondContact O-CB 3.46Å; C146-H150 PolarHBondContact O-N 3.34Å; G147-H150 PolarHBondContact O-N 2.84Å; I148-H150 VanDerWaalsContact C-N 3.29Å; I148-H150 PolarHBondContact O-N 3.34Å; H150-A154 PolarHBondContact O-N 3.47Å; H150-P342 PolarHBondContact CE1-O 3.36Å; H150-P344 WeakPolarHBondContact NE2-CD 3.42Å
151	L	92.5	Very high	93.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.4	-46.9	171.8	-66.4	169.4	0	0	0	111.7	V89 I94 G147 I148 R149 A153 A154 G155 I156 H158 F179	V89-L151 HydrophobicContact CG1-CD2 4.29Å; V89-L151 HydrophobicContact CG2-CD2 4.1Å; I94-L151 HydrophobicContact CD1-CD1 4.41Å; I94-L151 HydrophobicContact CD1-CD2 3.71Å; I94-L151 HydrophobicContact CD1-CG 3.66Å; G147-L151 WeakPolarHBondContact O-CG 2.91Å; G147-L151 PolarHBondContact O-N 3.43Å; G147-L151 VanDerWaalsContact O-N 3.11Å; I148-L151 WeakPolarHBondContact O-CB 3.32Å; I148-L151 PolarHBondContact O-N 2.8Å; I148-L151 VanDerWaalsContact O-N 3.16Å; R149-L151 VanDerWaalsContact C-N 3.32Å; R149-L151 PolarHBondContact O-N 2.92Å; L151-A153 VanDerWaalsContact C-N 3.32Å; L151-A153 PolarHBondContact O-N 2.91Å; L151-A154 WeakPolarHBondContact O-CA 3.38Å; L151-A154 WeakPolarHBondContact O-CB 3.05Å; L151-A154 PolarHBondContact O-N 2.96Å; L151-G155 PolarHBondContact O-N 3.07Å; L151-I156 CarbonylContact C-O 3.5Å; L151-I156 HydrophobicContact CB-CB 4.23Å; L151-I156 HydrophobicContact CB-CG2 4.49Å; L151-I156 WeakPolarHBondContact CB-O 3.42Å; L151-I156 HydrophobicContact CD2-CB 4.43Å; L151-I156 HydrophobicContact CD2-CD1 4.32Å; L151-I156 HydrophobicContact CD2-CG2 4.22Å; L151-I156 WeakPolarHBondContact O-CA 3.23Å; L151-I156 WeakPolarHBondContact O-CB 3.47Å; L151-I156 PolarHBondContact O-N 2.64Å; L151-H158 HydrophobicContact CD1-CB 4.43Å; L151-F179 HydrophobicContact CD1-CD1 4.3Å; L151-F179 HydrophobicContact CD1-CE1 3.71Å; L151-F179 HydrophobicContact CD2-CD1 4Å; L151-F179 HydrophobicContact CD2-CE1 3.63Å; L151-F179 HydrophobicContact CD2-CZ 4.34Å; L151-F179 HydrophobicContact CG-CE1 4.29Å
152	H	92.8	Very high	93	Very high	25 Å²	25	9 Å²	9	12%	0.116	6%	0.055	C	C	.	.	H	α-helix	trans	-62.5	-39.4	-179.3	-68.3	176.4	0	0	0	111.9	I148 R149 A154 G155 I156 E213 D216	I148-H152 WeakPolarHBondContact CG2-CE1 3.38Å; I148-H152 WeakPolarHBondContact CG2-NE2 3.48Å; I148-H152 PolarHBondContact O-CD2 2.6Å; I148-H152 VanDerWaalsContact O-CG 3.3Å; I148-H152 PolarHBondContact O-N 3.39Å; R149-H152 PolarHBondContact O-N 3.31Å; H152-A154 PolarHBondContact O-N 3.49Å; H152-G155 WeakPolarHBondContact O-CA 3.29Å; H152-G155 PolarHBondContact O-N 2.99Å; H152-I156 PolarHBondContact CD2-O 3.39Å; H152-I156 PolarHBondContact N-O 2.98Å; H152-E213 HydrophobicContact CB-CG 4.18Å; H152-E213 PolarHBondContact CE1-O 3.5Å; H152-E213 PolarHBondContact NE2-O 3.32Å; H152-D216 IonicContact CD2-OD2 3.83Å; H152-D216 IonicContact CE1-OD2 3.32Å; H152-D216 IonicContact NE2-OD2 2.63Å; H152-D216 PolarHBondContact NE2-OD2 3.26Å
153	A	90.9	Very high	92.8	Very high	44 Å²	44	9.1 Å²	9.1	36%	0.364	6%	0.055	S	C	.	.	H	α-helix	trans	-62.4	-26.7	175.3	0	0	0	0	0	112.9	R149 L151 G155 P343	R149-A153 WeakPolarHBondContact O-CB 3.23Å; R149-A153 PolarHBondContact O-N 2.87Å; L151-A153 VanDerWaalsContact C-N 3.32Å; L151-A153 PolarHBondContact O-N 2.91Å; A153-G155 VanDerWaalsContact C-N 3.3Å; A153-P343 HydrophobicContact CB-CB 3.77Å; A153-P343 HydrophobicContact CB-CG 4.39Å
154	A	87.8	Confident	92.3	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.008	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.9	172	0	0	0	0	0	114.1	H150 L151 H152 I156 P344	H150-A154 PolarHBondContact O-N 3.47Å; L151-A154 WeakPolarHBondContact O-CA 3.38Å; L151-A154 WeakPolarHBondContact O-CB 3.05Å; L151-A154 PolarHBondContact O-N 2.96Å; H152-A154 PolarHBondContact O-N 3.49Å; A154-I156 HydrophobicContact CB-CD1 3.69Å; A154-I156 HydrophobicContact CB-CG1 4.02Å; A154-P344 HydrophobicContact CB-CG 3.49Å; A154-P344 VanDerWaalsContact CB-CG 3.49Å
155	G	87.7	Confident	92	Very high	27 Å²	27	12 Å²	12	28%	0.278	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	23	-172.8	0	0	0	0	0	113.7	L151 H152 A153 H349	L151-G155 PolarHBondContact O-N 3.07Å; H152-G155 WeakPolarHBondContact O-CA 3.29Å; H152-G155 PolarHBondContact O-N 2.99Å; A153-G155 VanDerWaalsContact C-N 3.3Å; G155-H349 PolarHBondContact O-CE1 2.86Å; G155-H349 VanDerWaalsContact O-CE1 3.31Å; G155-H349 PolarHBondContact O-NE2 3.39Å
156	I	88.6	Confident	91.9	Very high	1 Å²	1	12 Å²	12	1%	0.005	8%	0.075	C	C	.	.			trans	-108.6	113	-177.9	-56.4	162.3	0	0	0	108.9	L85 V89 L151 H152 A154 A182	L85-I156 HydrophobicContact CD2-CD1 3.54Å; L85-I156 HydrophobicContact CD2-CG1 3.83Å; L85-I156 HydrophobicContact CD2-CG2 4.42Å; V89-I156 HydrophobicContact CG2-CD1 3.81Å; L151-I156 CarbonylContact C-O 3.5Å; L151-I156 HydrophobicContact CB-CB 4.23Å; L151-I156 HydrophobicContact CB-CG2 4.49Å; L151-I156 WeakPolarHBondContact CB-O 3.42Å; L151-I156 HydrophobicContact CD2-CB 4.43Å; L151-I156 HydrophobicContact CD2-CD1 4.32Å; L151-I156 HydrophobicContact CD2-CG2 4.22Å; L151-I156 WeakPolarHBondContact O-CA 3.23Å; L151-I156 WeakPolarHBondContact O-CB 3.47Å; L151-I156 PolarHBondContact O-N 2.64Å; H152-I156 PolarHBondContact CD2-O 3.39Å; H152-I156 PolarHBondContact N-O 2.98Å; A154-I156 HydrophobicContact CB-CD1 3.69Å; A154-I156 HydrophobicContact CB-CG1 4.02Å; I156-A182 HydrophobicContact CG2-CB 3.58Å
157	I	90.4	Very high	91.7	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-96.1	129.4	169.9	-55.6	-178.6	0	0	0	108.9	R159 A182 R183 A185 Y211 E213 V215 D216	I157-R159 HydrophobicContact CB-CG 4.26Å; I157-R159 HydrophobicContact CG2-CG 3.59Å; I157-A182 CarbonylContact O-C 3.6Å; I157-A182 WeakPolarHBondContact O-CA 3.24Å; I157-A182 WeakPolarHBondContact O-CB 3.39Å; I157-R183 WeakPolarHBondContact CB-O 3.36Å; I157-R183 PolarHBondContact N-O 3.12Å; I157-R183 PolarHBondContact O-N 3.18Å; I157-A185 HydrophobicContact CD1-CB 3.77Å; I157-A185 HydrophobicContact CG1-CB 4.5Å; I157-Y211 HydrophobicContact CD1-CD2 4.24Å; I157-Y211 HydrophobicContact CD1-CE2 4.17Å; I157-E213 HydrophobicContact CD1-CG 4.38Å; I157-E213 HydrophobicContact CG1-CG 4.4Å; I157-V215 HydrophobicContact CG2-CG1 3.27Å; I157-D216 WeakPolarHBondContact CG2-OD2 3.25Å
158	H	89.7	Confident	91.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.082	C	C	.	.			trans	-73.5	-51.8	-171.3	-170.5	-77	0	0	0	113	L151 D160 L161 L177 D178 F179 D216	L151-H158 HydrophobicContact CD1-CB 4.43Å; H158-D160 VanDerWaalsContact CE1-C 3.44Å; H158-D160 PolarHBondContact CE1-O 3.39Å; H158-D160 VanDerWaalsContact ND1-C 3.29Å; H158-D160 PolarHBondContact ND1-N 3.45Å; H158-D160 PolarHBondContact O-N 3.07Å; H158-L161 HydrophobicContact CB-CD1 4.5Å; H158-L161 HydrophobicContact CB-CD2 4.45Å; H158-L161 HydrophobicContact CB-CG 4.05Å; H158-L161 PolarHBondContact ND1-N 3.21Å; H158-L161 VanDerWaalsContact ND1-N 3.15Å; H158-L177 PolarHBondContact NE2-O 3.48Å; H158-D178 PolarHBondContact NE2-O 2.94Å; H158-F179 AromaticContact CD2-CD1 3.91Å; H158-F179 AromaticContact CD2-CE1 3.96Å; H158-D216 PolarHBondContact N-OD2 2.95Å
159	R	85.9	Confident	91.7	Very high	13 Å²	13	16.8 Å²	16.8	5%	0.049	10%	0.098	C	C	.	.			trans	65.9	-13.3	176.1	-48.7	-173.9	-55.9	149	12.9	117.8	I157 L181 R183 Y211 V215 D216	I157-R159 HydrophobicContact CB-CG 4.26Å; I157-R159 HydrophobicContact CG2-CG 3.59Å; R159-L181 PolarHBondContact NE-O 2.87Å; R159-L181 PolarHBondContact NH2-O 3.28Å; R159-R183 VanDerWaalsContact CZ-CG 3.48Å; R159-R183 VanDerWaalsContact NH2-CG 3.33Å; R159-Y211 VanDerWaalsContact CD-CE2 3.46Å; R159-Y211 VanDerWaalsContact CD-CZ 3.41Å; R159-Y211 WeakPolarHBondContact CD-OH 3.4Å; R159-Y211 HydrophobicContact CG-CE2 4.32Å; R159-Y211 PolarHBondContact NH1-OH 2.79Å; R159-V215 HydrophobicContact CG-CG1 4.3Å; R159-D216 PolarHBondContact N-OD1 3.41Å
160	D	86.4	Confident	91.5	Very high	7 Å²	7	20 Å²	20	4%	0.037	13%	0.127	C	C	.	.			trans	-125.1	37.8	175.6	-160.5	46.4	0	0	0	112.1	H158 K162 N165 L181	H158-D160 VanDerWaalsContact CE1-C 3.44Å; H158-D160 PolarHBondContact CE1-O 3.39Å; H158-D160 VanDerWaalsContact ND1-C 3.29Å; H158-D160 PolarHBondContact ND1-N 3.45Å; H158-D160 PolarHBondContact O-N 3.07Å; D160-K162 PolarHBondContact O-N 3.06Å; D160-K162 IonicContact OD1-NZ 3.63Å; D160-K162 IonicContact OD2-NZ 2.71Å; D160-K162 PolarHBondContact OD2-NZ 2.92Å; D160-N165 PolarHBondContact O-ND2 2.92Å; D160-L181 HydrophobicContact CB-CB 4.21Å; D160-L181 HydrophobicContact CB-CD1 3.7Å
161	L	92.9	Very high	91.5	Very high	2 Å²	2	25 Å²	25	1%	0.01	15%	0.154	C	C	.	.			trans	-67.4	126.6	172.8	-76.2	172.1	0	0	0	109.2	I148 H158 I166 I176 Y200 D216 V220	I148-L161 HydrophobicContact CD1-CD1 3.4Å; I148-L161 VanDerWaalsContact CD1-CD1 3.4Å; I148-L161 HydrophobicContact CG1-CD1 3.79Å; H158-L161 HydrophobicContact CB-CD1 4.5Å; H158-L161 HydrophobicContact CB-CD2 4.45Å; H158-L161 HydrophobicContact CB-CG 4.05Å; H158-L161 PolarHBondContact ND1-N 3.21Å; H158-L161 VanDerWaalsContact ND1-N 3.15Å; L161-I166 HydrophobicContact CD2-CD1 4.48Å; L161-I176 HydrophobicContact CD2-CD1 4.34Å; L161-I176 HydrophobicContact CD2-CG2 3.85Å; L161-Y200 VanDerWaalsContact O-CB 3.23Å; L161-Y200 WeakPolarHBondContact O-CB 3.37Å; L161-D216 HydrophobicContact CD1-CB 3.72Å; L161-V220 HydrophobicContact CD1-CG2 4.23Å
162	K	92.1	Very high	91.7	Very high	16 Å²	16	26.7 Å²	26.7	7%	0.07	17%	0.165	C	C	.	.			trans	-159.6	159.4	178.7	61.1	-169.9	179.1	-143.5	0	109.1	D160 S164 N165 Y200	D160-K162 PolarHBondContact O-N 3.06Å; D160-K162 IonicContact OD1-NZ 3.63Å; D160-K162 IonicContact OD2-NZ 2.71Å; D160-K162 PolarHBondContact OD2-NZ 2.92Å; K162-S164 VanDerWaalsContact CE-OG 3.23Å; K162-S164 WeakPolarHBondContact CE-OG 3.4Å; K162-S164 PolarHBondContact O-N 3.41Å; K162-S164 VanDerWaalsContact O-N 3.1Å; K162-N165 WeakPolarHBondContact CE-ND2 3.3Å; K162-N165 WeakPolarHBondContact CE-OD1 3.2Å; K162-N165 HydrophobicContact CG-CB 4.1Å; K162-N165 PolarHBondContact O-N 2.91Å; K162-Y200 HydrophobicContact CB-CD2 3.39Å; K162-Y200 HydrophobicContact CB-CE2 3.76Å; K162-Y200 HydrophobicContact CB-CG 3.99Å
163	P	93.7	Very high	91.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.013	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.2	-32.1	-174.3	-28.2	36.8	0	0	0	114.6	L124 C125 I128 N165 I166 Y200 I223	L124-P163 HydrophobicContact CB-CB 3.98Å; L124-P163 WeakPolarHBondContact CB-O 3.22Å; L124-P163 PolarHBondContact N-O 2.83Å; C125-P163 HydrophobicContact CB-CB 4.46Å; I128-P163 HydrophobicContact CD1-CB 3.63Å; I128-P163 HydrophobicContact CD1-CG 3.45Å; I128-P163 VanDerWaalsContact CD1-CG 3.45Å; P163-N165 VanDerWaalsContact C-N 3.25Å; P163-N165 PolarHBondContact O-N 3.45Å; P163-I166 PolarHBondContact O-N 3.43Å; P163-Y200 VanDerWaalsContact CD-CE1 3.48Å; P163-Y200 WeakPolarHBondContact CD-OH 3.33Å; P163-Y200 HydrophobicContact CG-CE1 3.88Å; P163-Y200 HydrophobicContact CG-CE2 4.47Å; P163-Y200 WeakPolarHBondContact CG-OH 3.48Å; P163-I223 HydrophobicContact CG-CG1 4.09Å
164	S	89.5	Confident	92.2	Very high	51 Å²	51	24.8 Å²	24.8	36%	0.357	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-70.1	-20	177.3	70	0	0	0	0	114.3	C125 K162	C125-S164 PolarHBondContact SG-N 3.44Å; C125-S164 VanDerWaalsContact SG-N 3.44Å; K162-S164 VanDerWaalsContact CE-OG 3.23Å; K162-S164 WeakPolarHBondContact CE-OG 3.4Å; K162-S164 PolarHBondContact O-N 3.41Å; K162-S164 VanDerWaalsContact O-N 3.1Å
165	N	92	Very high	92.7	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.07	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-99.3	12.8	179	-71.5	11	0	0	0	111.6	D160 K162 P163 L177 D178	D160-N165 PolarHBondContact O-ND2 2.92Å; K162-N165 WeakPolarHBondContact CE-ND2 3.3Å; K162-N165 WeakPolarHBondContact CE-OD1 3.2Å; K162-N165 HydrophobicContact CG-CB 4.1Å; K162-N165 PolarHBondContact O-N 2.91Å; P163-N165 VanDerWaalsContact C-N 3.25Å; P163-N165 PolarHBondContact O-N 3.45Å; N165-L177 WeakPolarHBondContact O-CB 3.38Å; N165-L177 PolarHBondContact O-N 2.98Å; N165-D178 PolarHBondContact ND2-OD2 3.07Å; N165-D178 VanDerWaalsContact ND2-OD2 3.14Å
166	I	94.9	Very high	93.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123	177	-60.4	-179	0	0	0	106.9	N123 L124 M144 L161 P163 L174 I223	N123-I166 CarbonylContact C-O 3.54Å; N123-I166 VanDerWaalsContact CA-O 3.26Å; N123-I166 WeakPolarHBondContact CA-O 3.32Å; N123-I166 WeakPolarHBondContact CB-O 3.27Å; L124-I166 HydrophobicContact CB-CB 4.07Å; L124-I166 HydrophobicContact CB-CG2 4.18Å; L124-I166 HydrophobicContact CD2-CB 4.35Å; L124-I166 HydrophobicContact CD2-CD1 4.27Å; L124-I166 HydrophobicContact CD2-CG2 4.18Å; L124-I166 PolarHBondContact N-O 2.86Å; M144-I166 HydrophobicContact CG-CD1 4.12Å; M144-I166 HydrophobicContact SD-CD1 3.51Å; M144-I166 VanDerWaalsContact SD-CD1 3.51Å; L161-I166 HydrophobicContact CD2-CD1 4.48Å; P163-I166 PolarHBondContact O-N 3.43Å; I166-L174 HydrophobicContact CG2-CD1 3.47Å; I166-L174 VanDerWaalsContact CG2-CD1 3.47Å; I166-L174 HydrophobicContact CG2-CD2 3.83Å; I166-L174 HydrophobicContact CG2-CG 3.54Å; I166-I223 HydrophobicContact CD1-CD1 3.74Å
167	V	95.6	Very high	93.2	Very high	17 Å²	17	26.4 Å²	26.4	10%	0.103	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.3	-176.7	-73.9	0	0	0	0	111	M120 A122 N123 L174 K175 L177	M120-V167 HydrophobicContact CB-CB 3.74Å; M120-V167 HydrophobicContact CB-CG1 4.48Å; M120-V167 HydrophobicContact CB-CG2 3.99Å; M120-V167 HydrophobicContact CE-CG2 4.22Å; M120-V167 HydrophobicContact CG-CB 3.92Å; M120-V167 HydrophobicContact CG-CG2 3.57Å; A122-V167 CarbonylContact O-C 3.47Å; A122-V167 VanDerWaalsContact O-CA 3.26Å; A122-V167 WeakPolarHBondContact O-CA 3.38Å; A122-V167 WeakPolarHBondContact O-CB 3.47Å; N123-V167 HydrophobicContact CB-CG1 4.17Å; V167-L174 CarbonylContact O-C 3.2Å; V167-L174 WeakPolarHBondContact O-CA 3.5Å; V167-K175 HydrophobicContact CG2-CB 4.12Å; V167-K175 WeakPolarHBondContact CG2-O 3.32Å; V167-K175 PolarHBondContact N-O 3.49Å; V167-K175 PolarHBondContact O-N 3.48Å; V167-L177 HydrophobicContact CB-CD1 4.48Å; V167-L177 HydrophobicContact CG1-CD1 3.56Å; V167-L177 HydrophobicContact CG1-CG 4.18Å; V167-L177 HydrophobicContact CG2-CD1 4.13Å; V167-L177 HydrophobicContact CG2-CD2 3.75Å; V167-L177 HydrophobicContact CG2-CG 3.85Å
168	V	96.9	Very high	92.4	Very high	8 Å²	8	26.9 Å²	26.9	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	158.8	-176.2	-58	0	0	0	0	111.7	D121 A122 L124 V127 L140 S173 L174	D121-V168 PolarHBondContact N-O 3.31Å; A122-V168 HydrophobicContact CB-CG2 4Å; A122-V168 PolarHBondContact N-O 2.89Å; A122-V168 VanDerWaalsContact N-O 3.15Å; A122-V168 PolarHBondContact O-N 3.41Å; L124-V168 HydrophobicContact CD1-CG1 4.2Å; V127-V168 HydrophobicContact CG2-CG1 4.39Å; V127-V168 HydrophobicContact CG2-CG2 3.43Å; V127-V168 VanDerWaalsContact CG2-CG2 3.43Å; L140-V168 HydrophobicContact CD2-CG1 3.92Å; V168-S173 CarbonylContact C-O 3.06Å; V168-S173 WeakPolarHBondContact CA-O 3.35Å; V168-L174 HydrophobicContact CG1-CB 4.26Å; V168-L174 HydrophobicContact CG1-CD1 4.3Å; V168-L174 HydrophobicContact CG1-CG 4.33Å
169	K	95.1	Very high	91.4	Very high	74 Å²	74	26.9 Å²	26.9	32%	0.322	16%	0.156	S	C	.	.			trans	-107.8	168.7	164.7	-69.9	-175.3	175.8	-175.3	0	111.8	L119 M120 D121 D171 C172 S173	L119-K169 WeakPolarHBondContact O-CE 3.47Å; M120-K169 HydrophobicContact CE-CG 3.76Å; M120-K169 HydrophobicContact SD-CD 4.15Å; M120-K169 VanDerWaalsContact SD-CE 3.54Å; M120-K169 HydrophobicContact SD-CG 3.76Å; D121-K169 WeakPolarHBondContact OD2-CA 2.77Å; D121-K169 WeakPolarHBondContact OD2-CB 3.08Å; K169-D171 VanDerWaalsContact CB-OD1 3.28Å; K169-D171 WeakPolarHBondContact CB-OD1 3.26Å; K169-D171 PolarHBondContact O-N 3.27Å; K169-C172 PolarHBondContact O-N 3.07Å; K169-S173 WeakPolarHBondContact CB-OG 3.28Å; K169-S173 PolarHBondContact N-O 3.44Å
170	S	92.2	Very high	90.1	Very high	114 Å²	114	26.4 Å²	26.4	80%	0.797	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.3	177.6	62	0	0	0	0	114.1	D121 C172	D121-S170 PolarHBondContact OD2-N 2.99Å; S170-C172 PolarHBondContact O-N 2.88Å
171	D	94.7	Very high	89	Confident	108 Å²	108	28 Å²	28	58%	0.578	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	10.8	174.3	68	-1.8	0	0	0	113.5	K169 S173	K169-D171 VanDerWaalsContact CB-OD1 3.28Å; K169-D171 WeakPolarHBondContact CB-OD1 3.26Å; K169-D171 PolarHBondContact O-N 3.27Å; D171-S173 PolarHBondContact O-N 3.48Å; D171-S173 VanDerWaalsContact OD1-CB 3.24Å; D171-S173 WeakPolarHBondContact OD1-CB 3.07Å; D171-S173 PolarHBondContact OD1-N 3.38Å; D171-S173 PolarHBondContact OD1-OG 2.84Å
172	C	95.3	Very high	87.3	Confident	35 Å²	35	28 Å²	28	24%	0.236	16%	0.163	C	C	.	.			trans	64.1	14.3	-175.1	-66.8	0	0	0	0	115.3	Y139 Q143 K169 S170	Y139-C172 HydrophobicContact CD1-CB 4.18Å; Y139-C172 HydrophobicContact CE1-CB 4.45Å; Q143-C172 PolarHBondContact NE2-O 3.49Å; K169-C172 PolarHBondContact O-N 3.07Å; S170-C172 PolarHBondContact O-N 2.88Å
173	S	97.2	Very high	85.8	Confident	28 Å²	28	29.8 Å²	29.8	20%	0.196	17%	0.169	C	C	.	.			trans	-68.2	141	167.9	62.1	0	0	0	0	111.1	V168 K169 D171	V168-S173 CarbonylContact C-O 3.06Å; V168-S173 WeakPolarHBondContact CA-O 3.35Å; K169-S173 WeakPolarHBondContact CB-OG 3.28Å; K169-S173 PolarHBondContact N-O 3.44Å; D171-S173 PolarHBondContact O-N 3.48Å; D171-S173 VanDerWaalsContact OD1-CB 3.24Å; D171-S173 WeakPolarHBondContact OD1-CB 3.07Å; D171-S173 PolarHBondContact OD1-N 3.38Å; D171-S173 PolarHBondContact OD1-OG 2.84Å
174	L	98.2	Very high	83.7	Confident	2 Å²	2	31 Å²	31	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.3	-174.6	178.4	154	0	0	0	111.6	N93 L140 Q143 M144 I166 V167 V168 I176	N93-L174 VanDerWaalsContact CA-O 3.27Å; N93-L174 WeakPolarHBondContact CA-O 3.31Å; N93-L174 PolarHBondContact ND2-O 2.97Å; L140-L174 HydrophobicContact CB-CD1 4.27Å; L140-L174 HydrophobicContact CD2-CB 4.21Å; L140-L174 HydrophobicContact CD2-CD1 3.85Å; Q143-L174 HydrophobicContact CB-CB 3.95Å; Q143-L174 HydrophobicContact CB-CD2 4.26Å; M144-L174 HydrophobicContact CG-CD1 3.56Å; M144-L174 HydrophobicContact CG-CD2 3.79Å; M144-L174 HydrophobicContact CG-CG 4.37Å; M144-L174 HydrophobicContact SD-CD1 4.34Å; I166-L174 HydrophobicContact CG2-CD1 3.47Å; I166-L174 VanDerWaalsContact CG2-CD1 3.47Å; I166-L174 HydrophobicContact CG2-CD2 3.83Å; I166-L174 HydrophobicContact CG2-CG 3.54Å; V167-L174 CarbonylContact O-C 3.2Å; V167-L174 WeakPolarHBondContact O-CA 3.5Å; V168-L174 HydrophobicContact CG1-CB 4.26Å; V168-L174 HydrophobicContact CG1-CD1 4.3Å; V168-L174 HydrophobicContact CG1-CG 4.33Å; L174-I176 HydrophobicContact CD2-CG1 4.36Å
175	K	97.3	Very high	81.6	Confident	23 Å²	23	30.6 Å²	30.6	10%	0.1	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139	173	-73.1	169.2	180	-89.1	0	112	K92 N93 I94 I95 E118 M120 V167	K92-K175 VanDerWaalsContact O-CE 3.25Å; K92-K175 WeakPolarHBondContact O-CE 3.39Å; K92-K175 VanDerWaalsContact O-CG 3.23Å; K92-K175 WeakPolarHBondContact O-CG 3.17Å; K92-K175 PolarHBondContact O-NZ 2.83Å; K92-K175 VanDerWaalsContact O-NZ 3.07Å; N93-K175 WeakPolarHBondContact O-CA 3.26Å; I94-K175 PolarHBondContact O-NZ 3.05Å; I95-K175 HydrophobicContact CD1-CD 4.03Å; E118-K175 WeakPolarHBondContact OE1-CE 3.36Å; E118-K175 IonicContact OE1-NZ 2.79Å; E118-K175 PolarHBondContact OE1-NZ 3.39Å; E118-K175 WeakPolarHBondContact OE2-CD 3.26Å; E118-K175 WeakPolarHBondContact OE2-CE 3.2Å; E118-K175 IonicContact OE2-NZ 3.6Å; E118-K175 PolarHBondContact OE2-NZ 3.32Å; M120-K175 HydrophobicContact CE-CB 4.19Å; M120-K175 HydrophobicContact CE-CD 4.05Å; M120-K175 HydrophobicContact CE-CG 4.22Å; M120-K175 HydrophobicContact SD-CD 3.91Å; V167-K175 HydrophobicContact CG2-CB 4.12Å; V167-K175 WeakPolarHBondContact CG2-O 3.32Å; V167-K175 PolarHBondContact N-O 3.49Å; V167-K175 PolarHBondContact O-N 3.48Å
176	I	96.2	Very high	78.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	137.4	174.1	-59.7	171.6	0	0	0	110	N93 I95 I148 L161 L174 F179	N93-I176 PolarHBondContact O-N 3.48Å; I95-I176 WeakPolarHBondContact CG2-O 3.39Å; I95-I176 PolarHBondContact N-O 3.05Å; I148-I176 HydrophobicContact CG1-CD1 3.87Å; L161-I176 HydrophobicContact CD2-CD1 4.34Å; L161-I176 HydrophobicContact CD2-CG2 3.85Å; L174-I176 HydrophobicContact CD2-CG1 4.36Å; I176-F179 HydrophobicContact CG2-CE1 4.25Å
177	L	90	Very high	76.3	Confident	39 Å²	39	33.8 Å²	33.8	20%	0.204	21%	0.207	C	C	.	.			trans	-109.7	171.4	177.2	-56.7	-178.3	0	0	0	112.7	I95 H158 N165 V167	I95-L177 HydrophobicContact CB-CD2 3.6Å; I95-L177 HydrophobicContact CD1-CD2 4.17Å; I95-L177 HydrophobicContact CG1-CD2 3.69Å; I95-L177 HydrophobicContact CG2-CD2 3.66Å; H158-L177 PolarHBondContact NE2-O 3.48Å; N165-L177 WeakPolarHBondContact O-CB 3.38Å; N165-L177 PolarHBondContact O-N 2.98Å; V167-L177 HydrophobicContact CB-CD1 4.48Å; V167-L177 HydrophobicContact CG1-CD1 3.56Å; V167-L177 HydrophobicContact CG1-CG 4.18Å; V167-L177 HydrophobicContact CG2-CD1 4.13Å; V167-L177 HydrophobicContact CG2-CD2 3.75Å; V167-L177 HydrophobicContact CG2-CG 3.85Å
178	D	75.2	Confident	73.5	Confident	11 Å²	11	36.7 Å²	36.7	6%	0.059	23%	0.228	C	C	.	.			trans	61	72.6	158.6	-171.7	14.6	0	0	0	116.3	Q46 R78 H158 N165 G180	Q46-D178 PolarHBondContact NE2-OD2 2.96Å; Q46-D178 PolarHBondContact OE1-OD1 2.88Å; Q46-D178 PolarHBondContact OE1-OD2 3.34Å; R78-D178 IonicContact CZ-OD1 3.79Å; R78-D178 IonicContact NE-OD1 3.68Å; R78-D178 VanDerWaalsContact NH2-CG 3.32Å; R78-D178 IonicContact NH2-OD1 2.79Å; R78-D178 PolarHBondContact NH2-OD1 3.11Å; R78-D178 IonicContact NH2-OD2 3.7Å; R78-D178 PolarHBondContact NH2-OD2 3Å; H158-D178 PolarHBondContact NE2-O 2.94Å; N165-D178 PolarHBondContact ND2-OD2 3.07Å; N165-D178 VanDerWaalsContact ND2-OD2 3.14Å; D178-G180 PolarHBondContact O-N 3.35Å; D178-G180 PolarHBondContact OD1-N 3.43Å
179	F	68.9	Low	70.6	Confident	1 Å²	1	43.5 Å²	43.5	0%	0.004	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-79.5	6.6	174.1	-50	-66.9	0	0	0	114.2	L85 M86 I94 I95 L151 H158 I176 L181 A182	L85-F179 HydrophobicContact CB-CB 4.01Å; L85-F179 HydrophobicContact CB-CG 4.39Å; L85-F179 HydrophobicContact CD1-CB 3.61Å; L85-F179 HydrophobicContact CG-CB 4.46Å; M86-F179 HydrophobicContact CG-CD2 4Å; M86-F179 HydrophobicContact CG-CE2 4.27Å; I94-F179 HydrophobicContact CG2-CE1 4.43Å; I94-F179 HydrophobicContact CG2-CE2 3.9Å; I94-F179 HydrophobicContact CG2-CZ 3.44Å; I94-F179 VanDerWaalsContact CG2-CZ 3.44Å; I95-F179 HydrophobicContact CG2-CE2 4.29Å; L151-F179 HydrophobicContact CD1-CD1 4.3Å; L151-F179 HydrophobicContact CD1-CE1 3.71Å; L151-F179 HydrophobicContact CD2-CD1 4Å; L151-F179 HydrophobicContact CD2-CE1 3.63Å; L151-F179 HydrophobicContact CD2-CZ 4.34Å; L151-F179 HydrophobicContact CG-CE1 4.29Å; H158-F179 AromaticContact CD2-CD1 3.91Å; H158-F179 AromaticContact CD2-CE1 3.96Å; I176-F179 HydrophobicContact CG2-CE1 4.25Å; F179-L181 PolarHBondContact O-N 3.42Å; F179-A182 HydrophobicContact CB-CB 4.25Å; F179-A182 WeakPolarHBondContact O-CB 3.4Å; F179-A182 PolarHBondContact O-N 3.32Å
180	G	58.1	Low	67.7	Low	2 Å²	2	46.5 Å²	46.5	2%	0.021	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.9	-20.9	-172.8	0	0	0	0	0	114.3	D178	D178-G180 PolarHBondContact O-N 3.35Å; D178-G180 PolarHBondContact OD1-N 3.43Å
181	L	62.7	Low	65.1	Low	41 Å²	41	43.6 Å²	43.6	22%	0.215	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-103.8	0.1	175.6	-65.5	176.3	0	0	0	113.7	R159 D160 F179	R159-L181 PolarHBondContact NE-O 2.87Å; R159-L181 PolarHBondContact NH2-O 3.28Å; D160-L181 HydrophobicContact CB-CB 4.21Å; D160-L181 HydrophobicContact CB-CD1 3.7Å; F179-L181 PolarHBondContact O-N 3.42Å
182	A	56.6	Low	62.2	Low	2 Å²	2	42.6 Å²	42.6	2%	0.017	25%	0.249	C	C	.	.			trans	-64.9	148.2	-176.2	0	0	0	0	0	111.8	R81 L85 I156 I157 F179	R81-A182 PolarHBondContact NH1-O 2.99Å; R81-A182 PolarHBondContact NH2-O 2.68Å; R81-A182 VanDerWaalsContact NH2-O 3.14Å; L85-A182 HydrophobicContact CD1-CB 3.99Å; I156-A182 HydrophobicContact CG2-CB 3.58Å; I157-A182 CarbonylContact O-C 3.6Å; I157-A182 WeakPolarHBondContact O-CA 3.24Å; I157-A182 WeakPolarHBondContact O-CB 3.39Å; F179-A182 HydrophobicContact CB-CB 4.25Å; F179-A182 WeakPolarHBondContact O-CB 3.4Å; F179-A182 PolarHBondContact O-N 3.32Å
183	R	62	Low	59.1	Low	53 Å²	53	46.4 Å²	46.4	20%	0.2	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-145.4	163.4	-179.9	-74.3	-158.3	-177.3	-119.3	8	112.6	I157 R159	I157-R183 WeakPolarHBondContact CB-O 3.36Å; I157-R183 PolarHBondContact N-O 3.12Å; I157-R183 PolarHBondContact O-N 3.18Å; R159-R183 VanDerWaalsContact CZ-CG 3.48Å; R159-R183 VanDerWaalsContact NH2-CG 3.33Å
184	S	49.2	Very low	56.2	Low	27 Å²	27	51.9 Å²	51.9	19%	0.189	29%	0.29	C	S	.	.			trans	-58.9	148.1	166.8	-130.7	0	0	0	0	112	G186 H349	S184-G186 PolarHBondContact O-N 3.05Å; S184-H349 WeakPolarHBondContact CA-CE1 3.41Å; S184-H349 VanDerWaalsContact CB-ND1 3.3Å; S184-H349 WeakPolarHBondContact CB-ND1 3.37Å; S184-H349 PolarHBondContact N-CE1 2.98Å; S184-H349 PolarHBondContact N-ND1 3.04Å; S184-H349 VanDerWaalsContact N-ND1 3.13Å; S184-H349 PolarHBondContact OG-CD2 3.24Å; S184-H349 PolarHBondContact OG-ND1 3.43Å; S184-H349 PolarHBondContact OG-NE2 3.32Å; S184-H349 VanDerWaalsContact OG-NE2 3.15Å
185	A	44.4	Very low	53.4	Low	43 Å²	43	58.7 Å²	58.7	36%	0.355	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	130	165.1	0	0	0	0	0	110	I157	I157-A185 HydrophobicContact CD1-CB 3.77Å; I157-A185 HydrophobicContact CG1-CB 4.5Å
186	G	34.5	Very low	51.8	Low	52 Å²	52	60.2 Å²	60.2	54%	0.536	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-3.8	174.8	0	0	0	0	0	117.4	S184 S188	S184-G186 PolarHBondContact O-N 3.05Å; G186-S188 PolarHBondContact O-N 3.36Å
187	N	41.9	Very low	50.7	Low	30 Å²	30	63.2 Å²	63.2	16%	0.16	36%	0.361	C	S	.	.			trans	-87.3	95.8	179.7	-107.5	-30.5	0	0	0	112.7	F189 Y211 E353	N187-F189 VanDerWaalsContact C-N 3.25Å; N187-F189 PolarHBondContact O-N 3.38Å; N187-Y211 PolarHBondContact O-OH 3.39Å; N187-Y211 VanDerWaalsContact O-OH 3.07Å; N187-E353 PolarHBondContact ND2-OE1 3.16Å
188	S	37.2	Very low	50.6	Low	78 Å²	78	62.8 Å²	62.8	55%	0.545	36%	0.357	S	S	.	.			trans	-76.1	31.4	-171.5	-46.4	0	0	0	0	116.3	G186 L190	G186-S188 PolarHBondContact O-N 3.36Å; S188-L190 PolarHBondContact O-N 3.26Å
189	F	35.3	Very low	51.5	Low	151 Å²	151	65.6 Å²	65.6	66%	0.662	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-77.2	126.6	-177.7	-87.7	-85.8	0	0	0	112.5	N187 M191	N187-F189 VanDerWaalsContact C-N 3.25Å; N187-F189 PolarHBondContact O-N 3.38Å; F189-M191 PolarHBondContact O-N 3.18Å
190	L	34.3	Very low	52.8	Low	137 Å²	137	66.4 Å²	66.4	72%	0.717	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-57	129.8	174.4	-68.2	165.6	0	0	0	110.6	S188	S188-L190 PolarHBondContact O-N 3.26Å
191	M	36.9	Very low	54.5	Low	52 Å²	52	67 Å²	67	26%	0.256	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-68.9	139	172.8	-81.3	-148.5	154.7	0	0	110.9	F189 V205	F189-M191 PolarHBondContact O-N 3.18Å; M191-V205 HydrophobicContact SD-CG1 4.5Å
192	T	34.6	Very low	56	Low	88 Å²	88	65.1 Å²	65.1	54%	0.54	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-65.3	139.7	163.7	40	0	0	0	0	109.6	Y194	T192-Y194 VanDerWaalsContact C-N 3.34Å; T192-Y194 PolarHBondContact O-N 3.18Å; T192-Y194 WeakPolarHBondContact OG1-CD2 3.35Å
193	P	30.1	Very low	57.9	Low	114 Å²	114	65 Å²	65	74%	0.74	36%	0.361	S	S	*	.			trans	-72	90.6	177.9	28.5	-31.2	0	0	0	108.8
194	Y	37.1	Very low	59.4	Low	144 Å²	144	62.5 Å²	62.5	57%	0.565	35%	0.352	S	S	*	.			trans	-102.5	142.3	171	-92.9	-89.5	0	0	0	110.9	T192 V196	T192-Y194 VanDerWaalsContact C-N 3.34Å; T192-Y194 PolarHBondContact O-N 3.18Å; T192-Y194 WeakPolarHBondContact OG1-CD2 3.35Å; Y194-V196 PolarHBondContact O-N 2.7Å
195	V	39.6	Very low	61.4	Low	144 Å²	144	62.2 Å²	62.2	87%	0.873	35%	0.349	S	S	*	.	S	Bend	trans	-69.1	72.9	174.4	-172.9	0	0	0	0	108.9
196	V	63.4	Low	63.6	Low	55 Å²	55	61 Å²	61	33%	0.333	34%	0.336	S	S	.	.	S	Bend	trans	-131.2	147.6	175.4	-176.5	0	0	0	0	107.5	Y194 R198	Y194-V196 PolarHBondContact O-N 2.7Å; V196-R198 PolarHBondContact O-N 2.85Å
197	T	71.7	Confident	66.3	Low	64 Å²	64	59.1 Å²	59.1	39%	0.393	31%	0.314	S	S	.	.			trans	-47.1	112.1	176	-47.4	0	0	0	0	110.6	Y199 Y200	T197-Y199 HydrophobicContact CG2-CD2 3.39Å; T197-Y199 HydrophobicContact CG2-CE2 3.79Å; T197-Y199 HydrophobicContact CG2-CG 3.93Å; T197-Y200 HydrophobicContact CG2-CD2 4.33Å; T197-Y200 HydrophobicContact CG2-CE2 3.94Å
198	R	88.4	Confident	68.5	Low	30 Å²	30	59 Å²	59	11%	0.113	32%	0.319	C	S	.	.			trans	-103.9	-0.1	-176.4	67.5	-177.1	64	84.8	-1.3	113.7	V196 Y200 R201 G236 T237 D238 Q242	V196-R198 PolarHBondContact O-N 2.85Å; R198-Y200 PolarHBondContact O-N 2.9Å; R198-Y200 VanDerWaalsContact O-N 3.1Å; R198-R201 WeakPolarHBondContact O-CB 3.46Å; R198-R201 PolarHBondContact O-N 3.42Å; R198-G236 PolarHBondContact NH1-O 2.82Å; R198-T237 PolarHBondContact NH1-O 3.39Å; R198-D238 WeakPolarHBondContact CD-O 3.45Å; R198-Q242 HydrophobicContact CG-CB 4.35Å; R198-Q242 HydrophobicContact CG-CG 4.19Å
199	Y	95.2	Very high	71.1	Confident	69 Å²	69	56.2 Å²	56.2	27%	0.271	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.5	-167.5	-51.3	-31.3	0	0	0	114.3	T197 V232 F234 P235 G236 Q242	T197-Y199 HydrophobicContact CG2-CD2 3.39Å; T197-Y199 HydrophobicContact CG2-CE2 3.79Å; T197-Y199 HydrophobicContact CG2-CG 3.93Å; Y199-V232 HydrophobicContact CD1-CG1 4.49Å; Y199-V232 HydrophobicContact CD2-CB 4.4Å; Y199-V232 HydrophobicContact CD2-CG1 3.55Å; Y199-V232 HydrophobicContact CD2-CG2 4.04Å; Y199-V232 HydrophobicContact CE2-CG1 4.35Å; Y199-V232 HydrophobicContact CG-CG1 3.63Å; Y199-F234 VanDerWaalsContact CD1-O 3.3Å; Y199-F234 WeakPolarHBondContact CD1-O 3.4Å; Y199-P235 HydrophobicContact CE1-CB 4.37Å; Y199-G236 WeakPolarHBondContact CE1-O 2.91Å; Y199-Q242 PolarHBondContact O-NE2 2.87Å
200	Y	95.5	Very high	73.5	Confident	19 Å²	19	51.1 Å²	51.1	8%	0.075	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-1.3	-178.5	-47.6	-82.8	0	0	0	112.8	L161 K162 P163 T197 R198 S219 C222 I223 E226	L161-Y200 VanDerWaalsContact O-CB 3.23Å; L161-Y200 WeakPolarHBondContact O-CB 3.37Å; K162-Y200 HydrophobicContact CB-CD2 3.39Å; K162-Y200 HydrophobicContact CB-CE2 3.76Å; K162-Y200 HydrophobicContact CB-CG 3.99Å; P163-Y200 VanDerWaalsContact CD-CE1 3.48Å; P163-Y200 WeakPolarHBondContact CD-OH 3.33Å; P163-Y200 HydrophobicContact CG-CE1 3.88Å; P163-Y200 HydrophobicContact CG-CE2 4.47Å; P163-Y200 WeakPolarHBondContact CG-OH 3.48Å; T197-Y200 HydrophobicContact CG2-CD2 4.33Å; T197-Y200 HydrophobicContact CG2-CE2 3.94Å; R198-Y200 PolarHBondContact O-N 2.9Å; R198-Y200 VanDerWaalsContact O-N 3.1Å; Y200-S219 WeakPolarHBondContact O-CA 3.32Å; Y200-S219 PolarHBondContact O-OG 2.99Å; Y200-C222 HydrophobicContact CD1-CB 3.67Å; Y200-C222 HydrophobicContact CE1-CB 4.41Å; Y200-I223 HydrophobicContact CD1-CG1 3.8Å; Y200-I223 HydrophobicContact CE1-CG1 4.03Å; Y200-E226 WeakPolarHBondContact CE1-OE2 3.19Å; Y200-E226 VanDerWaalsContact CZ-OE2 3.25Å; Y200-E226 PolarHBondContact OH-OE2 3.41Å
201	R	93.1	Very high	76.1	Confident	15 Å²	15	45.4 Å²	45.4	6%	0.057	26%	0.257	C	S	.	.			trans	-73	136.1	-179.6	-67.6	-176.6	-179.2	173.8	-0.8	110.5	R198 V205 I206 W218	R198-R201 WeakPolarHBondContact O-CB 3.46Å; R198-R201 PolarHBondContact O-N 3.42Å; R201-V205 HydrophobicContact CB-CG1 4.5Å; R201-I206 HydrophobicContact CB-CD1 4.41Å; R201-I206 HydrophobicContact CB-CG1 4.1Å; R201-I206 WeakPolarHBondContact O-CD1 3.43Å; R201-W218 PolarHBondContact O-NE1 3.04Å; R201-W218 VanDerWaalsContact O-NE1 3.11Å
202	A	95.3	Very high	78.6	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	27%	0.274	C	S	.	.			trans	-67.1	152.7	177.7	0	0	0	0	0	112.7	E204 V205 I206 V215 W218	A202-E204 VanDerWaalsContact C-N 3.28Å; A202-E204 VanDerWaalsContact CB-CD 3.43Å; A202-E204 HydrophobicContact CB-CG 4.19Å; A202-E204 WeakPolarHBondContact CB-OE1 3.33Å; A202-E204 WeakPolarHBondContact CB-OE2 3.44Å; A202-E204 PolarHBondContact O-N 3.22Å; A202-V205 HydrophobicContact CB-CG2 4.38Å; A202-V205 WeakPolarHBondContact O-CB 3.28Å; A202-V205 PolarHBondContact O-N 3.34Å; A202-I206 PolarHBondContact O-N 3.47Å; A202-V215 HydrophobicContact CB-CG2 3.56Å; A202-W218 HydrophobicContact CB-CB 3.72Å; A202-W218 HydrophobicContact CB-CD2 4.45Å; A202-W218 HydrophobicContact CB-CG 3.72Å
203	P	95.5	Very high	81.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-48.1	-46.4	174.8	-35.2	40.9	0	0	0	114.1	V205 I206 L207 W218 W243 I246 I313	P203-V205 PolarHBondContact O-N 3.24Å; P203-I206 PolarHBondContact O-N 3.37Å; P203-I206 VanDerWaalsContact O-N 3.13Å; P203-L207 VanDerWaalsContact O-CB 3.3Å; P203-L207 WeakPolarHBondContact O-CB 3.46Å; P203-L207 VanDerWaalsContact O-CG 3.28Å; P203-L207 WeakPolarHBondContact O-CG 3.48Å; P203-L207 PolarHBondContact O-N 3.01Å; P203-W218 VanDerWaalsContact CD-CD2 3.48Å; P203-W218 HydrophobicContact CG-CD2 4.37Å; P203-W218 HydrophobicContact CG-CE3 4.16Å; P203-W218 HydrophobicContact CG-CH2 3.74Å; P203-W218 HydrophobicContact CG-CZ2 3.99Å; P203-W218 HydrophobicContact CG-CZ3 3.85Å; P203-W243 HydrophobicContact CB-CZ3 3.94Å; P203-W243 HydrophobicContact CG-CZ3 4.4Å; P203-I246 HydrophobicContact CG-CD1 4.45Å; P203-I313 HydrophobicContact CB-CG2 4.05Å; P203-I313 HydrophobicContact CG-CB 4.41Å; P203-I313 HydrophobicContact CG-CG1 4.46Å; P203-I313 HydrophobicContact CG-CG2 4.07Å
204	E	94.1	Very high	84.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-30.7	179.5	59.2	-88	-155.9	0	0	112.6	A202 G208 M209 V215 P315 R318	A202-E204 VanDerWaalsContact C-N 3.28Å; A202-E204 VanDerWaalsContact CB-CD 3.43Å; A202-E204 HydrophobicContact CB-CG 4.19Å; A202-E204 WeakPolarHBondContact CB-OE1 3.33Å; A202-E204 WeakPolarHBondContact CB-OE2 3.44Å; A202-E204 PolarHBondContact O-N 3.22Å; E204-G208 PolarHBondContact O-N 2.96Å; E204-M209 HydrophobicContact CB-CB 3.86Å; E204-M209 HydrophobicContact CB-CG 4.45Å; E204-M209 HydrophobicContact CB-SD 4.07Å; E204-M209 PolarHBondContact O-N 3.35Å; E204-V215 HydrophobicContact CG-CG2 4.27Å; E204-P315 HydrophobicContact CB-CG 4.49Å; E204-R318 IonicContact OE1-CZ 3.18Å; E204-R318 IonicContact OE1-NH1 2.85Å; E204-R318 PolarHBondContact OE1-NH1 2.95Å; E204-R318 IonicContact OE1-NH2 2.72Å; E204-R318 PolarHBondContact OE1-NH2 3.03Å; E204-R318 IonicContact OE2-CZ 2.68Å; E204-R318 IonicContact OE2-NH1 2.7Å; E204-R318 IonicContact OE2-NH2 3.64Å; E204-R318 PolarHBondContact OE2-NH2 3Å
205	V	90.4	Very high	87.2	Confident	20 Å²	20	37.6 Å²	37.6	12%	0.121	21%	0.208	C	C	.	.	H	α-helix	trans	-76	-41.5	174.1	-179.7	0	0	0	0	110.9	M191 R201 A202 P203 L207 G208 V215	M191-V205 HydrophobicContact SD-CG1 4.5Å; R201-V205 HydrophobicContact CB-CG1 4.5Å; A202-V205 HydrophobicContact CB-CG2 4.38Å; A202-V205 WeakPolarHBondContact O-CB 3.28Å; A202-V205 PolarHBondContact O-N 3.34Å; P203-V205 PolarHBondContact O-N 3.24Å; V205-L207 VanDerWaalsContact C-N 3.34Å; V205-G208 PolarHBondContact O-N 3.05Å; V205-V215 HydrophobicContact CG2-CG2 3.46Å; V205-V215 VanDerWaalsContact CG2-CG2 3.46Å
206	I	90.8	Very high	89.9	Confident	17 Å²	17	30.7 Å²	30.7	9%	0.087	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-40.3	179.4	-65.5	160.2	0	0	0	111	R201 A202 P203 H239 Q242 I246	R201-I206 HydrophobicContact CB-CD1 4.41Å; R201-I206 HydrophobicContact CB-CG1 4.1Å; R201-I206 WeakPolarHBondContact O-CD1 3.43Å; A202-I206 PolarHBondContact O-N 3.47Å; P203-I206 PolarHBondContact O-N 3.37Å; P203-I206 VanDerWaalsContact O-N 3.13Å; I206-H239 HydrophobicContact CG2-CB 4.39Å; I206-Q242 HydrophobicContact CD1-CB 4.4Å; I206-Q242 HydrophobicContact CD1-CG 3.43Å; I206-Q242 VanDerWaalsContact CD1-CG 3.43Å; I206-Q242 HydrophobicContact CG1-CG 4.25Å; I206-I246 HydrophobicContact CD1-CD1 3.66Å
207	L	92.2	Very high	91.5	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.073	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.5	-176.2	-62.2	176.3	0	0	0	113.6	P203 V205 M209 W243 F257 L261 V265 V269	P203-L207 VanDerWaalsContact O-CB 3.3Å; P203-L207 WeakPolarHBondContact O-CB 3.46Å; P203-L207 VanDerWaalsContact O-CG 3.28Å; P203-L207 WeakPolarHBondContact O-CG 3.48Å; P203-L207 PolarHBondContact O-N 3.01Å; V205-L207 VanDerWaalsContact C-N 3.34Å; L207-M209 HydrophobicContact CB-CG 4.26Å; L207-M209 HydrophobicContact CB-SD 4.48Å; L207-M209 PolarHBondContact O-N 2.91Å; L207-W243 HydrophobicContact CD1-CD2 4.4Å; L207-W243 HydrophobicContact CD1-CE3 4.02Å; L207-W243 HydrophobicContact CD1-CH2 3.86Å; L207-W243 HydrophobicContact CD1-CZ2 4.23Å; L207-W243 HydrophobicContact CD1-CZ3 3.77Å; L207-W243 HydrophobicContact CD2-CD2 4.1Å; L207-W243 HydrophobicContact CD2-CE3 4.28Å; L207-W243 HydrophobicContact CD2-CG 4.35Å; L207-W243 HydrophobicContact CG-CE3 4.28Å; L207-W243 HydrophobicContact CG-CZ3 4.48Å; L207-F257 HydrophobicContact CD1-CE1 3.99Å; L207-F257 HydrophobicContact CD1-CZ 3.83Å; L207-L261 HydrophobicContact CB-CD2 4.07Å; L207-L261 HydrophobicContact CD1-CD2 3.88Å; L207-V265 HydrophobicContact CB-CG1 4.05Å; L207-V265 HydrophobicContact CD2-CG1 3.85Å; L207-V265 HydrophobicContact CG-CG1 4.49Å; L207-V269 HydrophobicContact CD1-CG2 4.46Å; L207-V269 HydrophobicContact CD2-CG2 3.9Å
208	G	88.4	Confident	92.8	Very high	26 Å²	26	25 Å²	25	27%	0.268	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	33.3	177.5	0	0	0	0	0	113.9	E204 V205	E204-G208 PolarHBondContact O-N 2.96Å; V205-G208 PolarHBondContact O-N 3.05Å
209	M	90.7	Very high	93.2	Very high	20 Å²	20	23.7 Å²	23.7	10%	0.099	13%	0.127	C	C	.	.			trans	-82.9	162.7	172.4	-58.4	170.9	72.6	0	0	110.7	E204 L207 F257 R260 L261	E204-M209 HydrophobicContact CB-CB 3.86Å; E204-M209 HydrophobicContact CB-CG 4.45Å; E204-M209 HydrophobicContact CB-SD 4.07Å; E204-M209 PolarHBondContact O-N 3.35Å; L207-M209 HydrophobicContact CB-CG 4.26Å; L207-M209 HydrophobicContact CB-SD 4.48Å; L207-M209 PolarHBondContact O-N 2.91Å; M209-F257 HydrophobicContact CE-CD2 4.39Å; M209-F257 HydrophobicContact CE-CE2 3.9Å; M209-F257 HydrophobicContact CE-CZ 4.32Å; M209-F257 HydrophobicContact SD-CE2 3.8Å; M209-F257 HydrophobicContact SD-CZ 3.72Å; M209-R260 HydrophobicContact CE-CB 4.08Å; M209-L261 HydrophobicContact CE-CD2 4.14Å; M209-L261 HydrophobicContact CG-CD2 3.57Å; M209-L261 HydrophobicContact SD-CD2 3.38Å; M209-L261 WeakPolarHBondContact SD-CD2 3.4Å
210	G	86	Confident	93.4	Very high	45 Å²	45	20.5 Å²	20.5	46%	0.464	11%	0.114	S	C	.	.			trans	-62.4	147.3	160.3	0	0	0	0	0	110.4
211	Y	88	Confident	93.5	Very high	16 Å²	16	19.6 Å²	19.6	6%	0.063	11%	0.111	C	C	.	.			trans	-134.9	159.8	-177	58.9	-97.7	0	0	0	111.2	I157 R159 N187 V215	I157-Y211 HydrophobicContact CD1-CD2 4.24Å; I157-Y211 HydrophobicContact CD1-CE2 4.17Å; R159-Y211 VanDerWaalsContact CD-CE2 3.46Å; R159-Y211 VanDerWaalsContact CD-CZ 3.41Å; R159-Y211 WeakPolarHBondContact CD-OH 3.4Å; R159-Y211 HydrophobicContact CG-CE2 4.32Å; R159-Y211 PolarHBondContact NH1-OH 2.79Å; N187-Y211 PolarHBondContact O-OH 3.39Å; N187-Y211 VanDerWaalsContact O-OH 3.07Å; Y211-V215 HydrophobicContact CD2-CG1 4.23Å
212	K	90.2	Very high	93.8	Very high	140 Å²	140	19 Å²	19	61%	0.609	11%	0.109	S	C	*	.			trans	-121.1	-176.7	176.9	-67.9	-173.7	-179.3	179.9	0	110.1	N214 V215	K212-N214 VanDerWaalsContact C-N 3.26Å; K212-N214 PolarHBondContact O-N 2.89Å; K212-V215 VanDerWaalsContact O-CB 3.3Å; K212-V215 WeakPolarHBondContact O-CB 3.32Å; K212-V215 WeakPolarHBondContact O-CG1 3.49Å; K212-V215 PolarHBondContact O-N 3.15Å; K212-V215 VanDerWaalsContact O-N 3.08Å
213	E	91.5	Very high	93.9	Very high	73 Å²	73	18.9 Å²	18.9	34%	0.341	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-40.7	-179	-67.9	84.5	-180	0	0	112.9	H152 I157 V215 D216	H152-E213 HydrophobicContact CB-CG 4.18Å; H152-E213 PolarHBondContact CE1-O 3.5Å; H152-E213 PolarHBondContact NE2-O 3.32Å; I157-E213 HydrophobicContact CD1-CG 4.38Å; I157-E213 HydrophobicContact CG1-CG 4.4Å; E213-V215 PolarHBondContact O-N 3.34Å; E213-D216 PolarHBondContact O-N 3.36Å; E213-D216 VanDerWaalsContact O-N 3.15Å
214	N	95.3	Very high	94.1	Very high	20 Å²	20	18.9 Å²	18.9	11%	0.107	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	6.1	-179.6	73.5	-16.8	0	0	0	115	K212 D216 I217 P315 R318	K212-N214 VanDerWaalsContact C-N 3.26Å; K212-N214 PolarHBondContact O-N 2.89Å; N214-D216 PolarHBondContact O-N 3.23Å; N214-I217 HydrophobicContact CB-CB 4.39Å; N214-I217 HydrophobicContact CB-CG1 4.35Å; N214-I217 WeakPolarHBondContact O-CB 3.49Å; N214-I217 PolarHBondContact O-N 2.95Å; N214-P315 PolarHBondContact ND2-O 2.8Å; N214-R318 PolarHBondContact ND2-O 2.74Å; N214-R318 WeakPolarHBondContact O-CD 3.3Å; N214-R318 PolarHBondContact O-NH1 2.91Å
215	V	95.1	Very high	94.3	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-59.9	-34.8	162.8	73.3	0	0	0	0	111.4	I157 R159 A202 E204 V205 Y211 K212 E213 I217 W218	I157-V215 HydrophobicContact CG2-CG1 3.27Å; R159-V215 HydrophobicContact CG-CG1 4.3Å; A202-V215 HydrophobicContact CB-CG2 3.56Å; E204-V215 HydrophobicContact CG-CG2 4.27Å; V205-V215 HydrophobicContact CG2-CG2 3.46Å; V205-V215 VanDerWaalsContact CG2-CG2 3.46Å; Y211-V215 HydrophobicContact CD2-CG1 4.23Å; K212-V215 VanDerWaalsContact O-CB 3.3Å; K212-V215 WeakPolarHBondContact O-CB 3.32Å; K212-V215 WeakPolarHBondContact O-CG1 3.49Å; K212-V215 PolarHBondContact O-N 3.15Å; K212-V215 VanDerWaalsContact O-N 3.08Å; E213-V215 PolarHBondContact O-N 3.34Å; V215-I217 VanDerWaalsContact C-N 3.31Å; V215-I217 PolarHBondContact O-N 2.57Å; V215-W218 PolarHBondContact O-N 2.72Å
216	D	96.2	Very high	94.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-72	-28.4	178.6	-72.1	-31.1	0	0	0	111.2	I148 H152 I157 H158 R159 L161 E213 N214 W218 S219 V220	I148-D216 HydrophobicContact CG2-CB 3.93Å; H152-D216 IonicContact CD2-OD2 3.83Å; H152-D216 IonicContact CE1-OD2 3.32Å; H152-D216 IonicContact NE2-OD2 2.63Å; H152-D216 PolarHBondContact NE2-OD2 3.26Å; I157-D216 WeakPolarHBondContact CG2-OD2 3.25Å; H158-D216 PolarHBondContact N-OD2 2.95Å; R159-D216 PolarHBondContact N-OD1 3.41Å; L161-D216 HydrophobicContact CD1-CB 3.72Å; E213-D216 PolarHBondContact O-N 3.36Å; E213-D216 VanDerWaalsContact O-N 3.15Å; N214-D216 PolarHBondContact O-N 3.23Å; D216-W218 VanDerWaalsContact C-N 3.33Å; D216-W218 PolarHBondContact O-N 2.87Å; D216-S219 WeakPolarHBondContact O-CB 3.17Å; D216-S219 PolarHBondContact O-N 3.11Å; D216-S219 VanDerWaalsContact O-N 3.12Å; D216-V220 WeakPolarHBondContact O-CG2 3.49Å; D216-V220 PolarHBondContact O-N 3.16Å
217	I	98.5	Very high	94.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-36.1	175.3	-71.5	-70.1	0	0	0	112.4	L145 N214 V215 S219 V220 G221 M310 R318 I319 V321 A324	L145-I217 HydrophobicContact CD2-CD1 3.47Å; L145-I217 VanDerWaalsContact CD2-CD1 3.47Å; N214-I217 HydrophobicContact CB-CB 4.39Å; N214-I217 HydrophobicContact CB-CG1 4.35Å; N214-I217 WeakPolarHBondContact O-CB 3.49Å; N214-I217 PolarHBondContact O-N 2.95Å; V215-I217 VanDerWaalsContact C-N 3.31Å; V215-I217 PolarHBondContact O-N 2.57Å; I217-S219 VanDerWaalsContact C-N 3.3Å; I217-S219 PolarHBondContact O-N 2.96Å; I217-V220 PolarHBondContact O-N 3.45Å; I217-G221 PolarHBondContact O-N 3.48Å; I217-M310 HydrophobicContact CG2-CB 4.01Å; I217-M310 HydrophobicContact CG2-CG 3.86Å; I217-R318 HydrophobicContact CG2-CG 3.98Å; I217-I319 HydrophobicContact CG2-CG2 3.7Å; I217-V321 HydrophobicContact CD1-CB 4.38Å; I217-V321 HydrophobicContact CD1-CG2 3.83Å; I217-V321 HydrophobicContact CG1-CG2 3.75Å; I217-A324 HydrophobicContact CD1-CB 4.12Å
218	W	98.4	Very high	95.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.8	-44.2	172.9	174.2	-83.9	0	0	0	111.5	R201 A202 P203 V215 D216 V220 G221 C222 F234 I246 L250 I313	R201-W218 PolarHBondContact O-NE1 3.04Å; R201-W218 VanDerWaalsContact O-NE1 3.11Å; A202-W218 HydrophobicContact CB-CB 3.72Å; A202-W218 HydrophobicContact CB-CD2 4.45Å; A202-W218 HydrophobicContact CB-CG 3.72Å; P203-W218 VanDerWaalsContact CD-CD2 3.48Å; P203-W218 HydrophobicContact CG-CD2 4.37Å; P203-W218 HydrophobicContact CG-CE3 4.16Å; P203-W218 HydrophobicContact CG-CH2 3.74Å; P203-W218 HydrophobicContact CG-CZ2 3.99Å; P203-W218 HydrophobicContact CG-CZ3 3.85Å; V215-W218 PolarHBondContact O-N 2.72Å; D216-W218 VanDerWaalsContact C-N 3.33Å; D216-W218 PolarHBondContact O-N 2.87Å; W218-V220 VanDerWaalsContact C-N 3.32Å; W218-V220 PolarHBondContact O-N 3.42Å; W218-G221 PolarHBondContact O-N 3.03Å; W218-C222 PolarHBondContact NE1-SG 3.15Å; W218-C222 PolarHBondContact O-N 2.79Å; W218-C222 PolarHBondContact O-SG 3.34Å; W218-F234 HydrophobicContact CH2-CE2 4.28Å; W218-F234 HydrophobicContact CZ2-CD2 4.13Å; W218-F234 AromaticContact CZ2-CE2 3.73Å; W218-F234 HydrophobicContact CZ2-CE2 3.73Å; W218-F234 HydrophobicContact CZ2-CZ 4.39Å; W218-I246 HydrophobicContact CH2-CD1 4.43Å; W218-I246 HydrophobicContact CH2-CG1 4.41Å; W218-I246 HydrophobicContact CH2-CG2 3.77Å; W218-I246 HydrophobicContact CZ2-CD1 3.8Å; W218-I246 HydrophobicContact CZ2-CG1 3.97Å; W218-I246 HydrophobicContact CZ2-CG2 4.19Å; W218-L250 HydrophobicContact CH2-CD1 3.53Å; W218-L250 HydrophobicContact CZ3-CD1 3.91Å; W218-I313 HydrophobicContact CH2-CG1 4.41Å; W218-I313 HydrophobicContact CZ3-CG1 4.38Å
219	S	97.4	Very high	95.4	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-44.6	179.8	-49.9	0	0	0	0	110.3	Y200 D216 I217 G221 C222 I223	Y200-S219 WeakPolarHBondContact O-CA 3.32Å; Y200-S219 PolarHBondContact O-OG 2.99Å; D216-S219 WeakPolarHBondContact O-CB 3.17Å; D216-S219 PolarHBondContact O-N 3.11Å; D216-S219 VanDerWaalsContact O-N 3.12Å; I217-S219 VanDerWaalsContact C-N 3.3Å; I217-S219 PolarHBondContact O-N 2.96Å; S219-G221 PolarHBondContact O-N 3.24Å; S219-C222 WeakPolarHBondContact O-CB 3.41Å; S219-C222 PolarHBondContact O-N 3.23Å; S219-I223 VanDerWaalsContact O-CG1 3.28Å; S219-I223 WeakPolarHBondContact O-CG1 3.49Å; S219-I223 PolarHBondContact O-N 3.38Å
220	V	98.5	Very high	95.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-44.1	173.5	174.6	0	0	0	0	111.6	L141 I148 L161 D216 I217 W218 C222 I223 F224 M310	L141-V220 HydrophobicContact CD1-CG1 3.22Å; I148-V220 HydrophobicContact CD1-CG2 3.24Å; L161-V220 HydrophobicContact CD1-CG2 4.23Å; D216-V220 WeakPolarHBondContact O-CG2 3.49Å; D216-V220 PolarHBondContact O-N 3.16Å; I217-V220 PolarHBondContact O-N 3.45Å; W218-V220 VanDerWaalsContact C-N 3.32Å; W218-V220 PolarHBondContact O-N 3.42Å; V220-C222 VanDerWaalsContact C-N 3.3Å; V220-C222 PolarHBondContact O-N 2.99Å; V220-I223 PolarHBondContact O-N 3.23Å; V220-F224 WeakPolarHBondContact O-CB 3.34Å; V220-F224 PolarHBondContact O-N 3.05Å; V220-M310 HydrophobicContact CG1-CE 4.04Å; V220-M310 HydrophobicContact CG1-SD 4.03Å
221	G	98.7	Very high	96	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-38.6	175.7	0	0	0	0	0	112.8	I217 W218 S219 F224 G225 L307	I217-G221 PolarHBondContact O-N 3.48Å; W218-G221 PolarHBondContact O-N 3.03Å; S219-G221 PolarHBondContact O-N 3.24Å; G221-F224 PolarHBondContact O-N 3.45Å; G221-G225 PolarHBondContact O-N 2.96Å; G221-L307 WeakPolarHBondContact O-CD2 3.44Å
222	C	98.6	Very high	96.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-65.1	-45.1	174.9	-67.4	0	0	0	0	111.7	Y200 W218 S219 V220 G225 E226	Y200-C222 HydrophobicContact CD1-CB 3.67Å; Y200-C222 HydrophobicContact CE1-CB 4.41Å; W218-C222 PolarHBondContact NE1-SG 3.15Å; W218-C222 PolarHBondContact O-N 2.79Å; W218-C222 PolarHBondContact O-SG 3.34Å; S219-C222 WeakPolarHBondContact O-CB 3.41Å; S219-C222 PolarHBondContact O-N 3.23Å; V220-C222 VanDerWaalsContact C-N 3.3Å; V220-C222 PolarHBondContact O-N 2.99Å; C222-G225 PolarHBondContact O-N 3.39Å; C222-E226 WeakPolarHBondContact O-CB 3.39Å; C222-E226 PolarHBondContact O-N 3.41Å
223	I	98.1	Very high	96.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-44.5	176.8	-66.7	167.9	0	0	0	110.5	L124 M144 P163 I166 Y200 S219 V220 E226 M227	L124-I223 HydrophobicContact CD2-CG2 3.3Å; M144-I223 HydrophobicContact CE-CG2 4.29Å; M144-I223 HydrophobicContact SD-CG2 4.18Å; P163-I223 HydrophobicContact CG-CG1 4.09Å; I166-I223 HydrophobicContact CD1-CD1 3.74Å; Y200-I223 HydrophobicContact CD1-CG1 3.8Å; Y200-I223 HydrophobicContact CE1-CG1 4.03Å; S219-I223 VanDerWaalsContact O-CG1 3.28Å; S219-I223 WeakPolarHBondContact O-CG1 3.49Å; S219-I223 PolarHBondContact O-N 3.38Å; V220-I223 PolarHBondContact O-N 3.23Å; I223-E226 PolarHBondContact O-N 2.84Å; I223-M227 HydrophobicContact CG2-CE 4.24Å; I223-M227 WeakPolarHBondContact O-CG 3.36Å; I223-M227 PolarHBondContact O-N 3.37Å
224	F	98.5	Very high	97	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.5	-43.6	179.4	-177.3	-151.5	0	0	0	112.1	M137 L141 V220 G221 E226 M227 I228 A303 L306 L307 Y329	M137-F224 HydrophobicContact SD-CE2 4.38Å; L141-F224 HydrophobicContact CD1-CB 4.44Å; L141-F224 HydrophobicContact CD2-CD1 3.85Å; L141-F224 HydrophobicContact CD2-CD2 4.5Å; L141-F224 HydrophobicContact CD2-CE1 3.9Å; L141-F224 HydrophobicContact CD2-CG 4.17Å; L141-F224 HydrophobicContact CD2-CZ 4.24Å; V220-F224 WeakPolarHBondContact O-CB 3.34Å; V220-F224 PolarHBondContact O-N 3.05Å; G221-F224 PolarHBondContact O-N 3.45Å; F224-E226 VanDerWaalsContact C-N 3.27Å; F224-E226 PolarHBondContact O-N 3.25Å; F224-M227 HydrophobicContact CB-CE 4.2Å; F224-M227 HydrophobicContact CD2-CE 3.97Å; F224-M227 WeakPolarHBondContact O-CB 3.49Å; F224-M227 PolarHBondContact O-N 2.85Å; F224-I228 HydrophobicContact CD2-CD1 3.8Å; F224-I228 HydrophobicContact CD2-CG1 4.34Å; F224-I228 HydrophobicContact CE1-CD1 4.34Å; F224-I228 HydrophobicContact CE2-CD1 3.46Å; F224-I228 VanDerWaalsContact CE2-CD1 3.46Å; F224-I228 HydrophobicContact CE2-CG1 4.08Å; F224-I228 HydrophobicContact CG-CD1 4.39Å; F224-I228 HydrophobicContact CZ-CD1 3.76Å; F224-I228 PolarHBondContact O-N 3.24Å; F224-I228 VanDerWaalsContact O-N 3.15Å; F224-A303 HydrophobicContact CE1-CB 4.49Å; F224-A303 WeakPolarHBondContact CE1-O 3.31Å; F224-A303 HydrophobicContact CZ-CB 3.79Å; F224-L306 HydrophobicContact CE1-CB 4.38Å; F224-L306 HydrophobicContact CE1-CD2 4.41Å; F224-L306 HydrophobicContact CE1-CG 4.49Å; F224-L307 HydrophobicContact CB-CD2 4.12Å; F224-L307 HydrophobicContact CD1-CD1 4.44Å; F224-L307 HydrophobicContact CD1-CD2 3.65Å; F224-L307 HydrophobicContact CD1-CG 3.59Å; F224-L307 HydrophobicContact CE1-CD1 4.47Å; F224-L307 HydrophobicContact CE1-CD2 4.37Å; F224-L307 HydrophobicContact CE1-CG 3.8Å; F224-L307 HydrophobicContact CG-CD2 4.07Å; F224-L307 HydrophobicContact CG-CG 4.33Å; F224-Y329 HydrophobicContact CE1-CD1 4.49Å; F224-Y329 HydrophobicContact CE1-CE1 4.39Å; F224-Y329 AromaticContact CE2-CE1 3.98Å; F224-Y329 HydrophobicContact CE2-CE1 3.98Å; F224-Y329 AromaticContact CZ-CD1 3.97Å; F224-Y329 HydrophobicContact CZ-CD1 3.97Å; F224-Y329 AromaticContact CZ-CE1 3.47Å; F224-Y329 HydrophobicContact CZ-CE1 3.47Å; F224-Y329 VanDerWaalsContact CZ-CE1 3.47Å
225	G	98.2	Very high	97	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.8	-33.3	175.4	0	0	0	0	0	112.3	G221 C222 I228 R229	G221-G225 PolarHBondContact O-N 2.96Å; C222-G225 PolarHBondContact O-N 3.39Å; G225-I228 PolarHBondContact O-N 3.04Å; G225-R229 VanDerWaalsContact O-CB 3.25Å; G225-R229 WeakPolarHBondContact O-CB 3.28Å; G225-R229 PolarHBondContact O-N 3.08Å
226	E	97.4	Very high	97	Very high	15 Å²	15	15.4 Å²	15.4	7%	0.07	9%	0.089	C	C	.	.	H	α-helix	trans	-69.1	-37.4	173.1	178.4	169.7	179.1	0	0	112.3	I128 Y200 C222 I223 F224 I228 R229 G230 N231	I128-E226 HydrophobicContact CD1-CG 3.92Å; I128-E226 HydrophobicContact CG1-CG 4.36Å; I128-E226 HydrophobicContact CG2-CG 3.62Å; Y200-E226 WeakPolarHBondContact CE1-OE2 3.19Å; Y200-E226 VanDerWaalsContact CZ-OE2 3.25Å; Y200-E226 PolarHBondContact OH-OE2 3.41Å; C222-E226 WeakPolarHBondContact O-CB 3.39Å; C222-E226 PolarHBondContact O-N 3.41Å; I223-E226 PolarHBondContact O-N 2.84Å; F224-E226 VanDerWaalsContact C-N 3.27Å; F224-E226 PolarHBondContact O-N 3.25Å; E226-I228 VanDerWaalsContact C-N 3.25Å; E226-I228 PolarHBondContact O-N 3.36Å; E226-R229 PolarHBondContact O-N 3.08Å; E226-G230 VanDerWaalsContact O-CA 3.32Å; E226-G230 WeakPolarHBondContact O-CA 3.28Å; E226-G230 PolarHBondContact O-N 3.36Å; E226-N231 WeakPolarHBondContact CG-O 3.21Å
227	M	97.3	Very high	96.8	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.059	12%	0.12	C	C	.	.	H	α-helix	trans	-59.5	-34.9	171.4	-73	-172.5	-68.8	0	0	112.3	L124 I128 L132 L140 M144 I223 F224	L124-M227 HydrophobicContact CD1-SD 4.44Å; L124-M227 HydrophobicContact CD2-SD 4.49Å; I128-M227 HydrophobicContact CG1-CG 3.66Å; L132-M227 HydrophobicContact CD1-SD 4.28Å; L140-M227 HydrophobicContact CD1-SD 4.46Å; M144-M227 HydrophobicContact CE-CE 3.84Å; I223-M227 HydrophobicContact CG2-CE 4.24Å; I223-M227 WeakPolarHBondContact O-CG 3.36Å; I223-M227 PolarHBondContact O-N 3.37Å; F224-M227 HydrophobicContact CB-CE 4.2Å; F224-M227 HydrophobicContact CD2-CE 3.97Å; F224-M227 WeakPolarHBondContact O-CB 3.49Å; F224-M227 PolarHBondContact O-N 2.85Å
228	I	96.9	Very high	96.3	Very high	11 Å²	11	23.9 Å²	23.9	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-81	-39.8	178.4	-68.3	157.3	0	0	0	112	M137 F224 G225 E226 F284 L288 F289 L307	M137-I228 HydrophobicContact SD-CG1 3.95Å; F224-I228 HydrophobicContact CD2-CD1 3.8Å; F224-I228 HydrophobicContact CD2-CG1 4.34Å; F224-I228 HydrophobicContact CE1-CD1 4.34Å; F224-I228 HydrophobicContact CE2-CD1 3.46Å; F224-I228 VanDerWaalsContact CE2-CD1 3.46Å; F224-I228 HydrophobicContact CE2-CG1 4.08Å; F224-I228 HydrophobicContact CG-CD1 4.39Å; F224-I228 HydrophobicContact CZ-CD1 3.76Å; F224-I228 PolarHBondContact O-N 3.24Å; F224-I228 VanDerWaalsContact O-N 3.15Å; G225-I228 PolarHBondContact O-N 3.04Å; E226-I228 VanDerWaalsContact C-N 3.25Å; E226-I228 PolarHBondContact O-N 3.36Å; I228-F284 HydrophobicContact CB-CD1 4.39Å; I228-F284 HydrophobicContact CG2-CD1 3.96Å; I228-L288 HydrophobicContact CG2-CB 3.89Å; I228-F289 HydrophobicContact CD1-CD1 4.3Å; I228-F289 HydrophobicContact CD1-CE1 3.53Å; I228-F289 HydrophobicContact CD1-CZ 4.17Å; I228-F289 HydrophobicContact CG1-CD1 4.31Å; I228-F289 HydrophobicContact CG1-CE1 3.98Å; I228-F289 HydrophobicContact CG2-CD1 4.12Å; I228-F289 HydrophobicContact CG2-CE1 3.85Å; I228-F289 HydrophobicContact CG2-CE2 4.24Å; I228-F289 HydrophobicContact CG2-CG 4.46Å; I228-F289 HydrophobicContact CG2-CZ 3.93Å; I228-L307 HydrophobicContact CD1-CD1 3.47Å; I228-L307 VanDerWaalsContact CD1-CD1 3.47Å; I228-L307 HydrophobicContact CD1-CG 4.4Å
229	R	94.8	Very high	95.8	Very high	59 Å²	59	26.4 Å²	26.4	22%	0.223	15%	0.15	C	C	.	.	H	α-helix	trans	-88.2	-20.3	-173.7	-162.7	-177.4	-76	-179.2	-1.5	113.2	G225 E226 N231 L283 L288	G225-R229 VanDerWaalsContact O-CB 3.25Å; G225-R229 WeakPolarHBondContact O-CB 3.28Å; G225-R229 PolarHBondContact O-N 3.08Å; E226-R229 PolarHBondContact O-N 3.08Å; R229-N231 WeakPolarHBondContact CD-OD1 3.48Å; R229-N231 WeakPolarHBondContact CG-OD1 3.23Å; R229-N231 PolarHBondContact O-N 3.35Å; R229-L283 PolarHBondContact NH2-O 3.46Å; R229-L288 HydrophobicContact CG-CD1 4.23Å
230	G	94	Very high	95.5	Very high	30 Å²	30	30.1 Å²	30.1	31%	0.309	17%	0.169	S	C	.	.	S	Bend	trans	75.5	0.5	-173.4	0	0	0	0	0	114.5	Q129 E226	Q129-G230 PolarHBondContact NE2-O 3.11Å; E226-G230 VanDerWaalsContact O-CA 3.32Å; E226-G230 WeakPolarHBondContact O-CA 3.28Å; E226-G230 PolarHBondContact O-N 3.36Å
231	N	94.2	Very high	95.3	Very high	88 Å²	88	31.8 Å²	31.8	47%	0.471	18%	0.178	S	C	.	.	S	Bend	trans	-144.2	157.3	178.9	67	10.9	0	0	0	113	E226 R229 L233	E226-N231 WeakPolarHBondContact CG-O 3.21Å; R229-N231 WeakPolarHBondContact CD-OD1 3.48Å; R229-N231 WeakPolarHBondContact CG-OD1 3.23Å; R229-N231 PolarHBondContact O-N 3.35Å; N231-L233 PolarHBondContact O-N 3Å
232	V	96.5	Very high	95.1	Very high	36 Å²	36	31.8 Å²	31.8	22%	0.218	18%	0.178	C	C	.	.			trans	-54.6	127.9	179	176.1	0	0	0	0	111	Y199 P235	Y199-V232 HydrophobicContact CD1-CG1 4.49Å; Y199-V232 HydrophobicContact CD2-CB 4.4Å; Y199-V232 HydrophobicContact CD2-CG1 3.55Å; Y199-V232 HydrophobicContact CD2-CG2 4.04Å; Y199-V232 HydrophobicContact CE2-CG1 4.35Å; Y199-V232 HydrophobicContact CG-CG1 3.63Å; V232-P235 HydrophobicContact CB-CB 4.49Å; V232-P235 HydrophobicContact CG1-CB 4.08Å
233	L	97.5	Very high	95	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	18%	0.177	C	C	.	.	S	Bend	trans	-67	-43.7	-178.6	-61	-174	0	0	0	113.5	N231 Q249 F284 L311	N231-L233 PolarHBondContact O-N 3Å; L233-Q249 PolarHBondContact O-NE2 2.99Å; L233-F284 HydrophobicContact CD1-CZ 4.21Å; L233-F284 HydrophobicContact CD2-CE1 3.99Å; L233-F284 HydrophobicContact CD2-CZ 3.9Å; L233-L311 HydrophobicContact CD1-CD1 3.63Å; L233-L311 HydrophobicContact CD1-CD2 4.42Å
234	F	97.5	Very high	94.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	18%	0.181	C	C	.	.			trans	-129.8	75.6	-171.2	-48.1	-61.4	0	0	0	111	Y199 W218 G236 Q242 K245 I246 Q249 L250 L311	Y199-F234 VanDerWaalsContact CD1-O 3.3Å; Y199-F234 WeakPolarHBondContact CD1-O 3.4Å; W218-F234 HydrophobicContact CH2-CE2 4.28Å; W218-F234 HydrophobicContact CZ2-CD2 4.13Å; W218-F234 AromaticContact CZ2-CE2 3.73Å; W218-F234 HydrophobicContact CZ2-CE2 3.73Å; W218-F234 HydrophobicContact CZ2-CZ 4.39Å; F234-G236 VanDerWaalsContact C-N 3.34Å; F234-G236 PolarHBondContact O-N 3.33Å; F234-Q242 VanDerWaalsContact CB-NE2 3.27Å; F234-Q242 PolarHBondContact O-NE2 3.35Å; F234-Q242 PolarHBondContact O-OE1 3.46Å; F234-K245 HydrophobicContact CB-CB 4.23Å; F234-I246 HydrophobicContact CB-CG1 4.19Å; F234-I246 HydrophobicContact CD1-CG1 4Å; F234-I246 HydrophobicContact CD2-CG1 4.15Å; F234-I246 HydrophobicContact CE1-CG1 4.44Å; F234-I246 HydrophobicContact CG-CG1 3.84Å; F234-Q249 HydrophobicContact CE1-CB 4.14Å; F234-L250 HydrophobicContact CE1-CG 4.46Å; F234-L250 HydrophobicContact CZ-CD1 4.03Å; F234-L250 HydrophobicContact CZ-CG 4.27Å; F234-L311 HydrophobicContact CE2-CD2 4.17Å
235	P	95.7	Very high	94.9	Very high	61 Å²	61	35.2 Å²	35.2	40%	0.396	19%	0.194	S	C	.	.			trans	-83.5	70.6	-175.7	34	-36	0	0	0	112.1	Y199 V232	Y199-P235 HydrophobicContact CE1-CB 4.37Å; V232-P235 HydrophobicContact CB-CB 4.49Å; V232-P235 HydrophobicContact CG1-CB 4.08Å
236	G	94.2	Very high	94.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.			trans	-81.2	128.5	-179.3	0	0	0	0	0	114.5	R198 Y199 F234 D238 D241	R198-G236 PolarHBondContact NH1-O 2.82Å; Y199-G236 WeakPolarHBondContact CE1-O 2.91Å; F234-G236 VanDerWaalsContact C-N 3.34Å; F234-G236 PolarHBondContact O-N 3.33Å; G236-D238 VanDerWaalsContact C-N 3.32Å; G236-D238 PolarHBondContact O-N 2.95Å; G236-D241 WeakPolarHBondContact CA-OD2 3.45Å
237	T	91.4	Very high	94.9	Very high	106 Å²	106	34.7 Å²	34.7	65%	0.65	19%	0.191	S	C	*	.	S	Bend	trans	-68.4	-28.1	-179.2	55.3	0	0	0	0	113.6	R198 D241	R198-T237 PolarHBondContact NH1-O 3.39Å; T237-D241 PolarHBondContact N-OD2 2.91Å; T237-D241 WeakPolarHBondContact OG1-CB 3.43Å; T237-D241 PolarHBondContact OG1-OD2 3.49Å
238	D	89.2	Confident	94.9	Very high	72 Å²	72	37.9 Å²	37.9	39%	0.385	21%	0.206	S	C	.	.	S	Bend	trans	-146.3	-170.9	171.2	63.8	34.8	0	0	0	111.1	R198 G236 I240 D241 Q242	R198-D238 WeakPolarHBondContact CD-O 3.45Å; G236-D238 VanDerWaalsContact C-N 3.32Å; G236-D238 PolarHBondContact O-N 2.95Å; D238-I240 VanDerWaalsContact C-N 3.3Å; D238-I240 PolarHBondContact O-N 3.07Å; D238-I240 WeakPolarHBondContact OD1-CA 3.37Å; D238-I240 VanDerWaalsContact OD1-CB 3.32Å; D238-I240 WeakPolarHBondContact OD1-CB 3.29Å; D238-I240 PolarHBondContact OD1-N 3.39Å; D238-D241 PolarHBondContact OD1-N 2.98Å; D238-Q242 WeakPolarHBondContact O-CB 3.37Å; D238-Q242 PolarHBondContact O-N 3.28Å
239	H	88	Confident	94.9	Very high	52 Å²	52	39 Å²	39	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-33.2	-180	-74.5	-119.5	0	0	0	113	I206 W243	I206-H239 HydrophobicContact CG2-CB 4.39Å; H239-W243 PolarHBondContact O-N 3.26Å; H239-W243 VanDerWaalsContact O-N 3.14Å
240	I	91.4	Very high	95.1	Very high	80 Å²	80	37.9 Å²	37.9	41%	0.41	21%	0.21	S	C	.	.	H	α-helix	trans	-75.1	-46.8	-177.4	-70.2	177.5	0	0	0	109.9	D238 W243 S244 F268	D238-I240 VanDerWaalsContact C-N 3.3Å; D238-I240 PolarHBondContact O-N 3.07Å; D238-I240 WeakPolarHBondContact OD1-CA 3.37Å; D238-I240 VanDerWaalsContact OD1-CB 3.32Å; D238-I240 WeakPolarHBondContact OD1-CB 3.29Å; D238-I240 PolarHBondContact OD1-N 3.39Å; I240-W243 PolarHBondContact O-N 2.85Å; I240-S244 PolarHBondContact O-N 2.85Å; I240-S244 PolarHBondContact O-OG 2.96Å; I240-F268 HydrophobicContact CB-CZ 4.16Å; I240-F268 HydrophobicContact CD1-CE2 4.16Å; I240-F268 HydrophobicContact CD1-CZ 4.41Å; I240-F268 HydrophobicContact CG1-CE2 4.05Å; I240-F268 HydrophobicContact CG1-CZ 3.79Å; I240-F268 HydrophobicContact CG2-CE2 4.2Å; I240-F268 HydrophobicContact CG2-CZ 3.84Å
241	D	93.9	Very high	95.3	Very high	36 Å²	36	36.7 Å²	36.7	19%	0.193	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-40.3	175.6	-173.1	36	0	0	0	110.5	G236 T237 D238 W243 S244 K245	G236-D241 WeakPolarHBondContact CA-OD2 3.45Å; T237-D241 PolarHBondContact N-OD2 2.91Å; T237-D241 WeakPolarHBondContact OG1-CB 3.43Å; T237-D241 PolarHBondContact OG1-OD2 3.49Å; D238-D241 PolarHBondContact OD1-N 2.98Å; D241-W243 VanDerWaalsContact C-N 3.33Å; D241-W243 PolarHBondContact O-N 3.3Å; D241-S244 CarbonylContact O-C 3.55Å; D241-S244 WeakPolarHBondContact O-CA 3.41Å; D241-S244 WeakPolarHBondContact O-CB 3.22Å; D241-S244 PolarHBondContact O-N 3.38Å; D241-K245 WeakPolarHBondContact O-CG 3.48Å; D241-K245 PolarHBondContact O-N 3.44Å; D241-K245 WeakPolarHBondContact OD1-CE 3.34Å
242	Q	95	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-55.4	-47.8	174.3	-173.4	67.3	28.1	0	0	112	R198 Y199 I206 F234 D238 S244 K245 I246	R198-Q242 HydrophobicContact CG-CB 4.35Å; R198-Q242 HydrophobicContact CG-CG 4.19Å; Y199-Q242 PolarHBondContact O-NE2 2.87Å; I206-Q242 HydrophobicContact CD1-CB 4.4Å; I206-Q242 HydrophobicContact CD1-CG 3.43Å; I206-Q242 VanDerWaalsContact CD1-CG 3.43Å; I206-Q242 HydrophobicContact CG1-CG 4.25Å; F234-Q242 VanDerWaalsContact CB-NE2 3.27Å; F234-Q242 PolarHBondContact O-NE2 3.35Å; F234-Q242 PolarHBondContact O-OE1 3.46Å; D238-Q242 WeakPolarHBondContact O-CB 3.37Å; D238-Q242 PolarHBondContact O-N 3.28Å; Q242-S244 VanDerWaalsContact C-N 3.31Å; Q242-S244 PolarHBondContact O-N 2.97Å; Q242-K245 PolarHBondContact O-N 2.88Å; Q242-I246 HydrophobicContact CG-CD1 4.35Å; Q242-I246 WeakPolarHBondContact O-CG1 3.43Å; Q242-I246 PolarHBondContact O-N 3.16Å
243	W	95.8	Very high	95.4	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-41.6	175.2	176.9	-113.6	0	0	0	112	P203 L207 H239 I240 D241 I246 I247 P253 F257 F268 V269 I313	P203-W243 HydrophobicContact CB-CZ3 3.94Å; P203-W243 HydrophobicContact CG-CZ3 4.4Å; L207-W243 HydrophobicContact CD1-CD2 4.4Å; L207-W243 HydrophobicContact CD1-CE3 4.02Å; L207-W243 HydrophobicContact CD1-CH2 3.86Å; L207-W243 HydrophobicContact CD1-CZ2 4.23Å; L207-W243 HydrophobicContact CD1-CZ3 3.77Å; L207-W243 HydrophobicContact CD2-CD2 4.1Å; L207-W243 HydrophobicContact CD2-CE3 4.28Å; L207-W243 HydrophobicContact CD2-CG 4.35Å; L207-W243 HydrophobicContact CG-CE3 4.28Å; L207-W243 HydrophobicContact CG-CZ3 4.48Å; H239-W243 PolarHBondContact O-N 3.26Å; H239-W243 VanDerWaalsContact O-N 3.14Å; I240-W243 PolarHBondContact O-N 2.85Å; D241-W243 VanDerWaalsContact C-N 3.33Å; D241-W243 PolarHBondContact O-N 3.3Å; W243-I246 HydrophobicContact CZ3-CG2 4.4Å; W243-I246 WeakPolarHBondContact O-CB 3.42Å; W243-I246 PolarHBondContact O-N 2.93Å; W243-I247 HydrophobicContact CD2-CG2 4.07Å; W243-I247 HydrophobicContact CE3-CG2 4.33Å; W243-I247 HydrophobicContact CH2-CG2 3.75Å; W243-I247 HydrophobicContact CZ2-CG2 3.44Å; W243-I247 VanDerWaalsContact CZ2-CG2 3.44Å; W243-I247 HydrophobicContact CZ3-CG2 4.15Å; W243-I247 PolarHBondContact O-N 3.08Å; W243-I247 VanDerWaalsContact O-N 3.1Å; W243-P253 HydrophobicContact CH2-CG 3.95Å; W243-P253 HydrophobicContact CZ2-CG 4.05Å; W243-F257 HydrophobicContact CH2-CE1 4.14Å; W243-F257 HydrophobicContact CH2-CZ 4.49Å; W243-F268 AromaticContact CD1-CE1 3.97Å; W243-V269 HydrophobicContact CZ2-CG1 3.72Å; W243-V269 HydrophobicContact CZ2-CG2 4.2Å; W243-I313 HydrophobicContact CH2-CG2 3.93Å; W243-I313 HydrophobicContact CZ3-CG2 4.11Å
244	S	96.1	Very high	95.4	Very high	13 Å²	13	35.4 Å²	35.4	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-46.9	178.6	-54.4	0	0	0	0	111.4	I240 D241 Q242 I246 I247 E248	I240-S244 PolarHBondContact O-N 2.85Å; I240-S244 PolarHBondContact O-OG 2.96Å; D241-S244 CarbonylContact O-C 3.55Å; D241-S244 WeakPolarHBondContact O-CA 3.41Å; D241-S244 WeakPolarHBondContact O-CB 3.22Å; D241-S244 PolarHBondContact O-N 3.38Å; Q242-S244 VanDerWaalsContact C-N 3.31Å; Q242-S244 PolarHBondContact O-N 2.97Å; S244-I246 VanDerWaalsContact C-N 3.26Å; S244-I246 PolarHBondContact O-N 3.47Å; S244-I247 WeakPolarHBondContact O-CG1 3.37Å; S244-I247 PolarHBondContact O-N 3.38Å; S244-E248 WeakPolarHBondContact O-CB 3.41Å; S244-E248 WeakPolarHBondContact O-CG 3.39Å; S244-E248 PolarHBondContact O-N 3.36Å
245	K	97.4	Very high	95.3	Very high	61 Å²	61	38.9 Å²	38.9	27%	0.265	21%	0.212	S	C	.	.	H	α-helix	trans	-58.2	-36.6	175.9	-63.7	-57.3	174.3	-163.8	0	113.1	F234 D241 Q242	F234-K245 HydrophobicContact CB-CB 4.23Å; D241-K245 WeakPolarHBondContact O-CG 3.48Å; D241-K245 PolarHBondContact O-N 3.44Å; D241-K245 WeakPolarHBondContact OD1-CE 3.34Å; Q242-K245 PolarHBondContact O-N 2.88Å
246	I	98	Very high	95.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-54.4	178.4	-70.3	167.9	0	0	0	110.3	P203 I206 W218 F234 Q242 W243 S244 E248 Q249 L250 I313	P203-I246 HydrophobicContact CG-CD1 4.45Å; I206-I246 HydrophobicContact CD1-CD1 3.66Å; W218-I246 HydrophobicContact CH2-CD1 4.43Å; W218-I246 HydrophobicContact CH2-CG1 4.41Å; W218-I246 HydrophobicContact CH2-CG2 3.77Å; W218-I246 HydrophobicContact CZ2-CD1 3.8Å; W218-I246 HydrophobicContact CZ2-CG1 3.97Å; W218-I246 HydrophobicContact CZ2-CG2 4.19Å; F234-I246 HydrophobicContact CB-CG1 4.19Å; F234-I246 HydrophobicContact CD1-CG1 4Å; F234-I246 HydrophobicContact CD2-CG1 4.15Å; F234-I246 HydrophobicContact CE1-CG1 4.44Å; F234-I246 HydrophobicContact CG-CG1 3.84Å; Q242-I246 HydrophobicContact CG-CD1 4.35Å; Q242-I246 WeakPolarHBondContact O-CG1 3.43Å; Q242-I246 PolarHBondContact O-N 3.16Å; W243-I246 HydrophobicContact CZ3-CG2 4.4Å; W243-I246 WeakPolarHBondContact O-CB 3.42Å; W243-I246 PolarHBondContact O-N 2.93Å; S244-I246 VanDerWaalsContact C-N 3.26Å; S244-I246 PolarHBondContact O-N 3.47Å; I246-E248 VanDerWaalsContact C-N 3.35Å; I246-E248 PolarHBondContact O-N 3.11Å; I246-Q249 PolarHBondContact O-N 3.15Å; I246-L250 HydrophobicContact CG2-CD1 4.21Å; I246-L250 WeakPolarHBondContact O-CB 3.5Å; I246-L250 PolarHBondContact O-N 2.87Å; I246-I313 HydrophobicContact CG2-CD1 3.88Å; I246-I313 HydrophobicContact CG2-CG1 3.93Å
247	I	97.6	Very high	95.5	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-71.9	-28.5	-175.8	65.2	175.5	0	0	0	112.9	W243 S244 Q249 G251 R272 H275 I313	W243-I247 HydrophobicContact CD2-CG2 4.07Å; W243-I247 HydrophobicContact CE3-CG2 4.33Å; W243-I247 HydrophobicContact CH2-CG2 3.75Å; W243-I247 HydrophobicContact CZ2-CG2 3.44Å; W243-I247 VanDerWaalsContact CZ2-CG2 3.44Å; W243-I247 HydrophobicContact CZ3-CG2 4.15Å; W243-I247 PolarHBondContact O-N 3.08Å; W243-I247 VanDerWaalsContact O-N 3.1Å; S244-I247 WeakPolarHBondContact O-CG1 3.37Å; S244-I247 PolarHBondContact O-N 3.38Å; I247-Q249 PolarHBondContact O-N 2.8Å; I247-G251 CarbonylContact O-C 3.49Å; I247-G251 WeakPolarHBondContact O-CA 3.27Å; I247-G251 PolarHBondContact O-N 3.2Å; I247-R272 HydrophobicContact CD1-CB 4.3Å; I247-H275 WeakPolarHBondContact O-CB 3.45Å; I247-I313 HydrophobicContact CG2-CD1 4.28Å
248	E	97.6	Very high	95.7	Very high	79 Å²	79	35.7 Å²	35.7	37%	0.369	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-34.2	173.8	-80.6	170.7	-172.3	0	0	111.7	S244 I246 F278	S244-E248 WeakPolarHBondContact O-CB 3.41Å; S244-E248 WeakPolarHBondContact O-CG 3.39Å; S244-E248 PolarHBondContact O-N 3.36Å; I246-E248 VanDerWaalsContact C-N 3.35Å; I246-E248 PolarHBondContact O-N 3.11Å; E248-F278 WeakPolarHBondContact O-CE2 3.33Å
249	Q	97.9	Very high	96.1	Very high	34 Å²	34	40.1 Å²	40.1	16%	0.159	20%	0.195	C	C	.	.	H	α-helix	trans	-93.9	-44.6	179.4	-74.8	-172	66.7	0	0	113.6	L233 F234 I246 I247 G277 F278 L283	L233-Q249 PolarHBondContact O-NE2 2.99Å; F234-Q249 HydrophobicContact CE1-CB 4.14Å; I246-Q249 PolarHBondContact O-N 3.15Å; I247-Q249 PolarHBondContact O-N 2.8Å; Q249-G277 CarbonylContact O-C 3.55Å; Q249-G277 WeakPolarHBondContact O-CA 3.35Å; Q249-F278 PolarHBondContact O-N 3.29Å; Q249-L283 HydrophobicContact CB-CD2 4.07Å; Q249-L283 HydrophobicContact CG-CD2 4.1Å
250	L	98.3	Very high	96.4	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.188	20%	0.199	C	C	.	.	H	α-helix	trans	-98.1	-8.1	-172.2	-57.2	-177.4	0	0	0	113.8	W218 F234 I246 F280 L283 L311 I313	W218-L250 HydrophobicContact CH2-CD1 3.53Å; W218-L250 HydrophobicContact CZ3-CD1 3.91Å; F234-L250 HydrophobicContact CE1-CG 4.46Å; F234-L250 HydrophobicContact CZ-CD1 4.03Å; F234-L250 HydrophobicContact CZ-CG 4.27Å; I246-L250 HydrophobicContact CG2-CD1 4.21Å; I246-L250 WeakPolarHBondContact O-CB 3.5Å; I246-L250 PolarHBondContact O-N 2.87Å; L250-F280 HydrophobicContact CD2-CE2 4.24Å; L250-F280 HydrophobicContact CD2-CZ 3.94Å; L250-L283 HydrophobicContact CD2-CD1 3.97Å; L250-L311 HydrophobicContact CD1-CB 4.41Å; L250-L311 WeakPolarHBondContact CD1-O 3.35Å; L250-I313 HydrophobicContact CB-CD1 4.08Å; L250-I313 HydrophobicContact CB-CG1 4.34Å; L250-I313 HydrophobicContact CD1-CG1 4.12Å
251	G	97.8	Very high	96.6	Very high	5 Å²	5	38.3 Å²	38.3	5%	0.052	18%	0.182	C	C	.	.			trans	89.9	162.7	-178.3	0	0	0	0	0	113.6	I247 H275 G277 I313	I247-G251 CarbonylContact O-C 3.49Å; I247-G251 WeakPolarHBondContact O-CA 3.27Å; I247-G251 PolarHBondContact O-N 3.2Å; G251-H275 CarbonylContact C-O 3.58Å; G251-H275 VanDerWaalsContact CA-O 3.26Å; G251-H275 WeakPolarHBondContact CA-O 3.42Å; G251-G277 VanDerWaalsContact N-CA 3.31Å; G251-I313 WeakPolarHBondContact O-CD1 3.49Å
252	T	97.5	Very high	96.6	Very high	38 Å²	38	42.7 Å²	42.7	23%	0.233	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-69	131.3	174.9	-58.8	0	0	0	0	109.5	M258 R274 H275	T252-M258 HydrophobicContact CG2-CE 3.75Å; T252-R274 WeakPolarHBondContact OG1-CA 3.44Å; T252-H275 PolarHBondContact N-O 3.12Å; T252-H275 PolarHBondContact OG1-N 3.03Å
253	P	96.6	Very high	96.6	Very high	17 Å²	17	47.4 Å²	47.4	11%	0.11	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-66.3	170	-177.3	29.1	-37.7	0	0	0	112.8	W243 F257 M258 I313	W243-P253 HydrophobicContact CH2-CG 3.95Å; W243-P253 HydrophobicContact CZ2-CG 4.05Å; P253-F257 HydrophobicContact CB-CB 4.06Å; P253-F257 HydrophobicContact CB-CD1 3.46Å; P253-F257 VanDerWaalsContact CB-CD1 3.46Å; P253-F257 HydrophobicContact CB-CE1 4.08Å; P253-F257 HydrophobicContact CB-CG 3.85Å; P253-F257 HydrophobicContact CG-CD1 3.44Å; P253-F257 VanDerWaalsContact CG-CD1 3.44Å; P253-F257 HydrophobicContact CG-CE1 3.76Å; P253-F257 HydrophobicContact CG-CG 4.34Å; P253-M258 HydrophobicContact CG-CE 4.33Å; P253-M258 HydrophobicContact CG-CG 4.33Å; P253-M258 WeakPolarHBondContact O-CE 3.47Å; P253-I313 HydrophobicContact CB-CG2 4.01Å; P253-I313 HydrophobicContact CG-CG2 4.42Å
254	S	96.6	Very high	96.5	Very high	48 Å²	48	52.9 Å²	52.9	34%	0.336	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-66.5	160.3	178.4	71.5	0	0	0	0	112.3	E256 F257 M258	S254-E256 PolarHBondContact O-N 3.44Å; S254-E256 PolarHBondContact OG-N 3.37Å; S254-F257 WeakPolarHBondContact O-CB 3.31Å; S254-F257 PolarHBondContact O-N 3.37Å; S254-F257 PolarHBondContact OG-N 3.25Å; S254-M258 PolarHBondContact O-N 3.04Å; S254-M258 VanDerWaalsContact O-N 3.14Å
255	Q	96	Very high	96.4	Very high	75 Å²	75	54 Å²	54	35%	0.35	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-29.6	171.9	-70.1	-68.3	21.8	0	0	112.7	M258 R259	Q255-M258 PolarHBondContact O-N 3.4Å; Q255-R259 VanDerWaalsContact O-CG 3.28Å; Q255-R259 WeakPolarHBondContact O-CG 3.41Å; Q255-R259 PolarHBondContact O-N 3.38Å
256	E	96.6	Very high	96.3	Very high	96 Å²	96	54.8 Å²	54.8	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-61	-45.1	173.9	175.5	-177.6	-143.5	0	0	111.7	S254 R259 K317	S254-E256 PolarHBondContact O-N 3.44Å; S254-E256 PolarHBondContact OG-N 3.37Å; E256-R259 PolarHBondContact O-N 3.28Å; E256-K317 IonicContact OE2-NZ 2.82Å; E256-K317 PolarHBondContact OE2-NZ 3.42Å
257	F	96.8	Very high	96.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-50.2	172.8	171.3	-90.8	0	0	0	111.3	L207 M209 W243 P253 S254 R259 R260 L261 I313 D314	L207-F257 HydrophobicContact CD1-CE1 3.99Å; L207-F257 HydrophobicContact CD1-CZ 3.83Å; M209-F257 HydrophobicContact CE-CD2 4.39Å; M209-F257 HydrophobicContact CE-CE2 3.9Å; M209-F257 HydrophobicContact CE-CZ 4.32Å; M209-F257 HydrophobicContact SD-CE2 3.8Å; M209-F257 HydrophobicContact SD-CZ 3.72Å; W243-F257 HydrophobicContact CH2-CE1 4.14Å; W243-F257 HydrophobicContact CH2-CZ 4.49Å; P253-F257 HydrophobicContact CB-CB 4.06Å; P253-F257 HydrophobicContact CB-CD1 3.46Å; P253-F257 VanDerWaalsContact CB-CD1 3.46Å; P253-F257 HydrophobicContact CB-CE1 4.08Å; P253-F257 HydrophobicContact CB-CG 3.85Å; P253-F257 HydrophobicContact CG-CD1 3.44Å; P253-F257 VanDerWaalsContact CG-CD1 3.44Å; P253-F257 HydrophobicContact CG-CE1 3.76Å; P253-F257 HydrophobicContact CG-CG 4.34Å; S254-F257 WeakPolarHBondContact O-CB 3.31Å; S254-F257 PolarHBondContact O-N 3.37Å; S254-F257 PolarHBondContact OG-N 3.25Å; F257-R259 PolarHBondContact O-N 3.24Å; F257-R260 PolarHBondContact O-N 2.69Å; F257-L261 HydrophobicContact CE1-CD1 4.29Å; F257-L261 HydrophobicContact CE1-CD2 4.29Å; F257-L261 HydrophobicContact CE1-CG 4.49Å; F257-L261 HydrophobicContact CZ-CD2 4.41Å; F257-I313 HydrophobicContact CE1-CG2 4.23Å; F257-I313 HydrophobicContact CE2-CG2 4.05Å; F257-I313 HydrophobicContact CZ-CG2 3.89Å; F257-D314 HydrophobicContact CD2-CB 4.11Å
258	M	96.2	Very high	95.9	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.015	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-31.2	-176.3	-68.3	-173.8	-122.4	0	0	113	T252 P253 S254 Q255 R260 L261 R266 V269 E270	T252-M258 HydrophobicContact CG2-CE 3.75Å; P253-M258 HydrophobicContact CG-CE 4.33Å; P253-M258 HydrophobicContact CG-CG 4.33Å; P253-M258 WeakPolarHBondContact O-CE 3.47Å; S254-M258 PolarHBondContact O-N 3.04Å; S254-M258 VanDerWaalsContact O-N 3.14Å; Q255-M258 PolarHBondContact O-N 3.4Å; M258-R260 PolarHBondContact O-N 2.91Å; M258-L261 HydrophobicContact CB-CD1 4.4Å; M258-L261 HydrophobicContact CG-CD1 4.44Å; M258-L261 VanDerWaalsContact O-CB 3.31Å; M258-L261 WeakPolarHBondContact O-CB 3.28Å; M258-L261 WeakPolarHBondContact O-CG 3.39Å; M258-L261 PolarHBondContact O-N 3.36Å; M258-L261 VanDerWaalsContact O-N 3.13Å; M258-R266 VanDerWaalsContact O-CD 3.28Å; M258-R266 WeakPolarHBondContact O-CD 3.43Å; M258-R266 WeakPolarHBondContact O-CG 3.18Å; M258-V269 HydrophobicContact CG-CG1 4.09Å; M258-V269 HydrophobicContact SD-CG1 3.98Å; M258-E270 HydrophobicContact SD-CG 3.54Å; M258-E270 VanDerWaalsContact SD-CG 3.54Å
259	R	96.2	Very high	95.7	Very high	165 Å²	165	59.5 Å²	59.5	62%	0.623	30%	0.295	S	S	*	.	H	α-helix	trans	-63.8	-23.4	175.9	-76.6	175.4	-161.4	137.7	0.5	113.9	Q255 E256 F257 L261	Q255-R259 VanDerWaalsContact O-CG 3.28Å; Q255-R259 WeakPolarHBondContact O-CG 3.41Å; Q255-R259 PolarHBondContact O-N 3.38Å; E256-R259 PolarHBondContact O-N 3.28Å; F257-R259 PolarHBondContact O-N 3.24Å; R259-L261 VanDerWaalsContact C-N 3.3Å
260	R	95.9	Very high	95.5	Very high	84 Å²	84	61.2 Å²	61.2	32%	0.317	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.2	177	-66.8	-177.5	-68.8	144.7	1.4	113.2	M209 F257 M258 D314 E316	M209-R260 HydrophobicContact CE-CB 4.08Å; F257-R260 PolarHBondContact O-N 2.69Å; M258-R260 PolarHBondContact O-N 2.91Å; R260-D314 IonicContact CZ-OD1 2.72Å; R260-D314 IonicContact NH1-OD1 3.75Å; R260-D314 IonicContact NH2-OD1 2.89Å; R260-D314 PolarHBondContact NH2-OD1 3Å; R260-D314 IonicContact NH2-OD2 3.71Å; R260-D314 PolarHBondContact NH2-OD2 2.83Å; R260-E316 IonicContact CZ-OE1 3.84Å; R260-E316 IonicContact CZ-OE2 3.77Å; R260-E316 IonicContact NE-OE1 3.53Å; R260-E316 IonicContact NH1-OE1 3.61Å; R260-E316 PolarHBondContact NH1-OE1 2.83Å; R260-E316 IonicContact NH1-OE2 2.83Å
261	L	95.1	Very high	95.3	Very high	10 Å²	10	64.7 Å²	64.7	5%	0.052	32%	0.321	C	S	.	.	S	Bend	trans	-78.4	150.3	176.9	-60.7	174.9	0	0	0	111.6	L207 M209 F257 M258 R259 V265 R266 V269	L207-L261 HydrophobicContact CB-CD2 4.07Å; L207-L261 HydrophobicContact CD1-CD2 3.88Å; M209-L261 HydrophobicContact CE-CD2 4.14Å; M209-L261 HydrophobicContact CG-CD2 3.57Å; M209-L261 HydrophobicContact SD-CD2 3.38Å; M209-L261 WeakPolarHBondContact SD-CD2 3.4Å; F257-L261 HydrophobicContact CE1-CD1 4.29Å; F257-L261 HydrophobicContact CE1-CD2 4.29Å; F257-L261 HydrophobicContact CE1-CG 4.49Å; F257-L261 HydrophobicContact CZ-CD2 4.41Å; M258-L261 HydrophobicContact CB-CD1 4.4Å; M258-L261 HydrophobicContact CG-CD1 4.44Å; M258-L261 VanDerWaalsContact O-CB 3.31Å; M258-L261 WeakPolarHBondContact O-CB 3.28Å; M258-L261 WeakPolarHBondContact O-CG 3.39Å; M258-L261 PolarHBondContact O-N 3.36Å; M258-L261 VanDerWaalsContact O-N 3.13Å; R259-L261 VanDerWaalsContact C-N 3.3Å; L261-V265 HydrophobicContact CD2-CG1 4.39Å; L261-R266 HydrophobicContact CB-CB 3.83Å; L261-R266 HydrophobicContact CB-CG 4.47Å; L261-V269 HydrophobicContact CD1-CB 3.97Å; L261-V269 HydrophobicContact CD1-CG1 4.23Å; L261-V269 HydrophobicContact CD1-CG2 3.83Å
262	Q	93.8	Very high	95	Very high	128 Å²	128	68.7 Å²	68.7	60%	0.598	34%	0.335	S	S	*	.			trans	-59.4	146.4	168.7	-70	-65	-17.4	0	0	110.6	T264 V265 R266	Q262-T264 VanDerWaalsContact C-N 3.33Å; Q262-T264 PolarHBondContact O-N 3.34Å; Q262-T264 VanDerWaalsContact O-N 3.14Å; Q262-V265 HydrophobicContact CB-CG2 4.38Å; Q262-V265 PolarHBondContact O-N 2.83Å; Q262-V265 VanDerWaalsContact O-N 3.07Å; Q262-R266 WeakPolarHBondContact O-CB 3.4Å; Q262-R266 PolarHBondContact O-N 2.91Å
263	P	94.9	Very high	94.8	Very high	100 Å²	100	73 Å²	73	65%	0.649	36%	0.356	S	S	*	.	H	α-helix	trans	-52.8	-42.4	-169.5	-29.4	35.2	0	0	0	115.3	H267	P263-H267 PolarHBondContact O-N 2.92Å
264	T	93.6	Very high	94.7	Very high	115 Å²	115	81 Å²	81	71%	0.706	38%	0.384	S	S	*	.	H	α-helix	trans	-68.5	-44.3	179.5	48.9	0	0	0	0	112.2	Q262 H267 F268	Q262-T264 VanDerWaalsContact C-N 3.33Å; Q262-T264 PolarHBondContact O-N 3.34Å; Q262-T264 VanDerWaalsContact O-N 3.14Å; T264-H267 PolarHBondContact O-N 3.03Å; T264-F268 PolarHBondContact O-N 3.49Å; T264-F268 VanDerWaalsContact O-N 3.11Å
265	V	93.4	Very high	94.7	Very high	37 Å²	37	81.7 Å²	81.7	22%	0.224	38%	0.382	C	S	.	.	H	α-helix	trans	-66.9	-40.7	177.2	-177.1	0	0	0	0	110.4	L207 L261 Q262 H267 F268 V269	L207-V265 HydrophobicContact CB-CG1 4.05Å; L207-V265 HydrophobicContact CD2-CG1 3.85Å; L207-V265 HydrophobicContact CG-CG1 4.49Å; L261-V265 HydrophobicContact CD2-CG1 4.39Å; Q262-V265 HydrophobicContact CB-CG2 4.38Å; Q262-V265 PolarHBondContact O-N 2.83Å; Q262-V265 VanDerWaalsContact O-N 3.07Å; V265-H267 PolarHBondContact O-N 3.48Å; V265-F268 WeakPolarHBondContact O-CB 3.4Å; V265-F268 PolarHBondContact O-N 3Å; V265-V269 HydrophobicContact CG1-CG2 4.36Å; V265-V269 WeakPolarHBondContact O-CG2 3.41Å; V265-V269 PolarHBondContact O-N 3.39Å
266	R	95.6	Very high	94.7	Very high	77 Å²	77	83.2 Å²	83.2	29%	0.291	41%	0.407	S	S	.	.	H	α-helix	trans	-57.6	-50.4	175.6	-174.2	174.9	173	-172	-9.6	111.4	M258 L261 Q262 F268 V269 E270	M258-R266 VanDerWaalsContact O-CD 3.28Å; M258-R266 WeakPolarHBondContact O-CD 3.43Å; M258-R266 WeakPolarHBondContact O-CG 3.18Å; L261-R266 HydrophobicContact CB-CB 3.83Å; L261-R266 HydrophobicContact CB-CG 4.47Å; Q262-R266 WeakPolarHBondContact O-CB 3.4Å; Q262-R266 PolarHBondContact O-N 2.91Å; R266-F268 VanDerWaalsContact C-N 3.3Å; R266-F268 PolarHBondContact O-N 3.1Å; R266-V269 PolarHBondContact O-N 2.82Å; R266-V269 VanDerWaalsContact O-N 3.17Å; R266-E270 HydrophobicContact CG-CG 4.25Å; R266-E270 IonicContact CZ-OE1 3.29Å; R266-E270 VanDerWaalsContact CZ-OE1 3.29Å; R266-E270 IonicContact NE-OE1 2.76Å; R266-E270 PolarHBondContact NE-OE1 3.44Å; R266-E270 IonicContact NE-OE2 3.82Å; R266-E270 IonicContact NH2-OE1 2.91Å; R266-E270 PolarHBondContact NH2-OE1 2.9Å; R266-E270 WeakPolarHBondContact O-CB 3.18Å; R266-E270 WeakPolarHBondContact O-CG 3.39Å; R266-E270 PolarHBondContact O-N 2.67Å
267	H	94.4	Very high	94.7	Very high	116 Å²	116	79.7 Å²	79.7	54%	0.537	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-42.3	178	-174	70.1	0	0	0	111.7	P263 T264 V265 N271	P263-H267 PolarHBondContact O-N 2.92Å; T264-H267 PolarHBondContact O-N 3.03Å; V265-H267 PolarHBondContact O-N 3.48Å; H267-N271 PolarHBondContact CD2-ND2 3.21Å; H267-N271 VanDerWaalsContact CD2-ND2 3.33Å; H267-N271 PolarHBondContact CE1-ND2 2.92Å; H267-N271 PolarHBondContact NE2-ND2 3.49Å; H267-N271 WeakPolarHBondContact O-CB 3.31Å; H267-N271 VanDerWaalsContact O-CG 3.25Å; H267-N271 PolarHBondContact O-N 3.3Å; H267-N271 VanDerWaalsContact O-N 3.12Å; H267-N271 PolarHBondContact O-ND2 3.4Å
268	F	93.1	Very high	94.8	Very high	62 Å²	62	83.6 Å²	83.6	27%	0.272	41%	0.414	S	S	.	.	H	α-helix	trans	-59.7	-45.4	174.3	167.7	-93.9	0	0	0	112.6	I240 W243 T264 V265 R266 R272	I240-F268 HydrophobicContact CB-CZ 4.16Å; I240-F268 HydrophobicContact CD1-CE2 4.16Å; I240-F268 HydrophobicContact CD1-CZ 4.41Å; I240-F268 HydrophobicContact CG1-CE2 4.05Å; I240-F268 HydrophobicContact CG1-CZ 3.79Å; I240-F268 HydrophobicContact CG2-CE2 4.2Å; I240-F268 HydrophobicContact CG2-CZ 3.84Å; W243-F268 AromaticContact CD1-CE1 3.97Å; T264-F268 PolarHBondContact O-N 3.49Å; T264-F268 VanDerWaalsContact O-N 3.11Å; V265-F268 WeakPolarHBondContact O-CB 3.4Å; V265-F268 PolarHBondContact O-N 3Å; R266-F268 VanDerWaalsContact C-N 3.3Å; R266-F268 PolarHBondContact O-N 3.1Å; F268-R272 VanDerWaalsContact CZ-NH2 3.35Å; F268-R272 WeakPolarHBondContact O-CG 3.48Å
269	V	93.6	Very high	94.8	Very high	4 Å²	4	86.6 Å²	86.6	2%	0.024	44%	0.439	C	S	.	.	H	α-helix	trans	-69.8	-43.4	-179.5	173.2	0	0	0	0	111.6	L207 W243 M258 L261 V265 R266 N271 R272	L207-V269 HydrophobicContact CD1-CG2 4.46Å; L207-V269 HydrophobicContact CD2-CG2 3.9Å; W243-V269 HydrophobicContact CZ2-CG1 3.72Å; W243-V269 HydrophobicContact CZ2-CG2 4.2Å; M258-V269 HydrophobicContact CG-CG1 4.09Å; M258-V269 HydrophobicContact SD-CG1 3.98Å; L261-V269 HydrophobicContact CD1-CB 3.97Å; L261-V269 HydrophobicContact CD1-CG1 4.23Å; L261-V269 HydrophobicContact CD1-CG2 3.83Å; V265-V269 HydrophobicContact CG1-CG2 4.36Å; V265-V269 WeakPolarHBondContact O-CG2 3.41Å; V265-V269 PolarHBondContact O-N 3.39Å; R266-V269 PolarHBondContact O-N 2.82Å; R266-V269 VanDerWaalsContact O-N 3.17Å; V269-N271 VanDerWaalsContact C-N 3.31Å; V269-N271 PolarHBondContact O-N 3.29Å; V269-R272 WeakPolarHBondContact O-CB 3.47Å; V269-R272 PolarHBondContact O-N 3.19Å
270	E	94	Very high	94.9	Very high	70 Å²	70	80.5 Å²	80.5	33%	0.327	42%	0.417	S	S	.	.	H	α-helix	trans	-66.4	-30.1	-178.9	-76.8	178.2	167	0	0	112.8	M258 R266 R272	M258-E270 HydrophobicContact SD-CG 3.54Å; M258-E270 VanDerWaalsContact SD-CG 3.54Å; R266-E270 HydrophobicContact CG-CG 4.25Å; R266-E270 IonicContact CZ-OE1 3.29Å; R266-E270 VanDerWaalsContact CZ-OE1 3.29Å; R266-E270 IonicContact NE-OE1 2.76Å; R266-E270 PolarHBondContact NE-OE1 3.44Å; R266-E270 IonicContact NE-OE2 3.82Å; R266-E270 IonicContact NH2-OE1 2.91Å; R266-E270 PolarHBondContact NH2-OE1 2.9Å; R266-E270 WeakPolarHBondContact O-CB 3.18Å; R266-E270 WeakPolarHBondContact O-CG 3.39Å; R266-E270 PolarHBondContact O-N 2.67Å; E270-R272 VanDerWaalsContact C-N 3.31Å
271	N	93.5	Very high	95	Very high	108 Å²	108	81.1 Å²	81.1	58%	0.578	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-1.4	178.6	-73.1	-22	0	0	0	114.3	H267 V269	H267-N271 PolarHBondContact CD2-ND2 3.21Å; H267-N271 VanDerWaalsContact CD2-ND2 3.33Å; H267-N271 PolarHBondContact CE1-ND2 2.92Å; H267-N271 PolarHBondContact NE2-ND2 3.49Å; H267-N271 WeakPolarHBondContact O-CB 3.31Å; H267-N271 VanDerWaalsContact O-CG 3.25Å; H267-N271 PolarHBondContact O-N 3.3Å; H267-N271 VanDerWaalsContact O-N 3.12Å; H267-N271 PolarHBondContact O-ND2 3.4Å; V269-N271 VanDerWaalsContact C-N 3.31Å; V269-N271 PolarHBondContact O-N 3.29Å
272	R	91.5	Very high	95.1	Very high	89 Å²	89	89.1 Å²	89.1	34%	0.336	46%	0.457	S	S	.	.	S	Bend	trans	-75.3	155.6	174.6	-73.1	-78.1	173.9	178.7	-8.1	110.7	I247 F268 V269 E270 R274	I247-R272 HydrophobicContact CD1-CB 4.3Å; F268-R272 VanDerWaalsContact CZ-NH2 3.35Å; F268-R272 WeakPolarHBondContact O-CG 3.48Å; V269-R272 WeakPolarHBondContact O-CB 3.47Å; V269-R272 PolarHBondContact O-N 3.19Å; E270-R272 VanDerWaalsContact C-N 3.31Å; R272-R274 PolarHBondContact O-N 3.48Å
273	N	92.3	Very high	95.3	Very high	128 Å²	128	83.7 Å²	83.7	68%	0.684	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-55.4	138.1	170.2	-69.4	-24	0	0	0	109.7	H275	N273-H275 PolarHBondContact O-CD2 3.46Å
274	R	94.6	Very high	95.4	Very high	186 Å²	186	79 Å²	79	70%	0.702	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-77.9	129.5	175.8	-71.8	-172.3	173.1	-134.5	-4.3	109.8	T252 R272	T252-R274 WeakPolarHBondContact OG1-CA 3.44Å; R272-R274 PolarHBondContact O-N 3.48Å
275	H	96.9	Very high	95.6	Very high	62 Å²	62	75 Å²	75	29%	0.287	38%	0.377	S	S	.	.			trans	-113.8	134.1	175.2	-64.3	-90	0	0	0	108.8	I247 G251 T252 N273 G277	I247-H275 WeakPolarHBondContact O-CB 3.45Å; G251-H275 CarbonylContact C-O 3.58Å; G251-H275 VanDerWaalsContact CA-O 3.26Å; G251-H275 WeakPolarHBondContact CA-O 3.42Å; T252-H275 PolarHBondContact N-O 3.12Å; T252-H275 PolarHBondContact OG1-N 3.03Å; N273-H275 PolarHBondContact O-CD2 3.46Å; H275-G277 PolarHBondContact O-N 3.01Å
276	A	96.9	Very high	95.8	Very high	107 Å²	107	78.6 Å²	78.6	88%	0.884	40%	0.395	S	S	*	.			trans	-73.6	-19.2	173.9	0	0	0	0	0	112.4
277	G	97	Very high	95.8	Very high	22 Å²	22	84.8 Å²	84.8	23%	0.227	42%	0.418	C	S	.	.			trans	74.5	176.6	-167.2	0	0	0	0	0	111.9	Q249 G251 H275	Q249-G277 CarbonylContact O-C 3.55Å; Q249-G277 WeakPolarHBondContact O-CA 3.35Å; G251-G277 VanDerWaalsContact N-CA 3.31Å; H275-G277 PolarHBondContact O-N 3.01Å
278	F	97.7	Very high	95.9	Very high	82 Å²	82	81.4 Å²	81.4	36%	0.36	40%	0.404	S	S	.	.			trans	-112.6	145.5	172.5	-59	-70.2	0	0	0	109.5	E248 Q249 R282 L283	E248-F278 WeakPolarHBondContact O-CE2 3.33Å; Q249-F278 PolarHBondContact O-N 3.29Å; F278-R282 HydrophobicContact CB-CB 4.39Å; F278-R282 HydrophobicContact CB-CG 4.43Å; F278-R282 VanDerWaalsContact CD1-CZ 3.49Å; F278-L283 HydrophobicContact CB-CD2 3.79Å; F278-L283 HydrophobicContact CB-CG 3.87Å; F278-L283 HydrophobicContact CD2-CD2 3.9Å; F278-L283 HydrophobicContact CG-CD2 4.26Å
279	A	97.7	Very high	96.1	Very high	66 Å²	66	79.3 Å²	79.3	55%	0.545	40%	0.395	S	S	.	.			trans	-58.4	148.1	168.6	0	0	0	0	0	110.6	D281 R282 L283	A279-D281 PolarHBondContact O-N 2.87Å; A279-R282 WeakPolarHBondContact O-CA 2.93Å; A279-R282 WeakPolarHBondContact O-CB 3.14Å; A279-R282 PolarHBondContact O-N 3.3Å; A279-L283 PolarHBondContact O-N 3.5Å
280	F	98.2	Very high	96.1	Very high	38 Å²	38	80.5 Å²	80.5	17%	0.167	40%	0.402	C	S	.	.	H	α-helix	trans	-62.1	-29.2	-178.9	-88.9	-103	0	0	0	112.6	L250 R282 L283 F284 R304 L307 C308 L311	L250-F280 HydrophobicContact CD2-CE2 4.24Å; L250-F280 HydrophobicContact CD2-CZ 3.94Å; F280-R282 PolarHBondContact O-N 2.95Å; F280-L283 PolarHBondContact O-N 3.02Å; F280-F284 AromaticContact CD1-CD2 3.8Å; F280-F284 HydrophobicContact CD1-CD2 3.8Å; F280-F284 AromaticContact CD1-CE2 3.88Å; F280-F284 HydrophobicContact CD1-CE2 3.88Å; F280-F284 HydrophobicContact CE1-CD2 4.37Å; F280-F284 AromaticContact CE1-CE2 3.97Å; F280-F284 HydrophobicContact CE1-CE2 3.97Å; F280-F284 WeakPolarHBondContact O-CA 3.41Å; F280-F284 PolarHBondContact O-N 3.29Å; F280-R304 HydrophobicContact CB-CG 3.85Å; F280-L307 HydrophobicContact CD1-CB 4.13Å; F280-L307 HydrophobicContact CE1-CB 4.03Å; F280-C308 HydrophobicContact CB-CB 4.45Å; F280-C308 HydrophobicContact CD1-CB 3.94Å; F280-C308 HydrophobicContact CD2-CB 3.78Å; F280-C308 HydrophobicContact CE1-CB 4.12Å; F280-C308 HydrophobicContact CE2-CB 3.97Å; F280-C308 HydrophobicContact CG-CB 3.78Å; F280-C308 HydrophobicContact CZ-CB 4.15Å; F280-L311 HydrophobicContact CE1-CB 4.16Å; F280-L311 HydrophobicContact CE1-CD1 4.21Å; F280-L311 HydrophobicContact CZ-CB 3.89Å
281	D	97.4	Very high	96.2	Very high	97 Å²	97	82.9 Å²	82.9	52%	0.519	42%	0.424	S	S	.	.	H	α-helix	trans	-65.6	-24.8	173.3	-53.6	-80.3	0	0	0	112.9	A279 F284 P285 R304	A279-D281 PolarHBondContact O-N 2.87Å; D281-F284 CarbonylContact O-C 3.57Å; D281-P285 WeakPolarHBondContact O-CA 3.45Å; D281-P285 WeakPolarHBondContact O-CB 3.49Å; D281-R304 WeakPolarHBondContact OD1-CD 3.47Å; D281-R304 IonicContact OD1-CZ 3.98Å; D281-R304 IonicContact OD1-NE 3.04Å; D281-R304 PolarHBondContact OD1-NE 3.13Å; D281-R304 IonicContact OD1-NH1 2.68Å; D281-R304 PolarHBondContact OD1-NH1 2.87Å
282	R	97.2	Very high	96.1	Very high	178 Å²	178	82.7 Å²	82.7	67%	0.672	42%	0.423	S	S	*	.	H	α-helix	trans	-84.7	-36.6	172.9	-178.1	173.3	174.9	177.7	0.7	111.9	F278 A279 F280	F278-R282 HydrophobicContact CB-CB 4.39Å; F278-R282 HydrophobicContact CB-CG 4.43Å; F278-R282 VanDerWaalsContact CD1-CZ 3.49Å; A279-R282 WeakPolarHBondContact O-CA 2.93Å; A279-R282 WeakPolarHBondContact O-CB 3.14Å; A279-R282 PolarHBondContact O-N 3.3Å; F280-R282 PolarHBondContact O-N 2.95Å
283	L	97.5	Very high	96.2	Very high	14 Å²	14	79.9 Å²	79.9	7%	0.073	42%	0.417	C	S	.	.	H	α-helix	trans	-70.8	-34	176.9	-67.6	178.2	0	0	0	112.3	R229 Q249 L250 F278 A279 F280	R229-L283 PolarHBondContact NH2-O 3.46Å; Q249-L283 HydrophobicContact CB-CD2 4.07Å; Q249-L283 HydrophobicContact CG-CD2 4.1Å; L250-L283 HydrophobicContact CD2-CD1 3.97Å; F278-L283 HydrophobicContact CB-CD2 3.79Å; F278-L283 HydrophobicContact CB-CG 3.87Å; F278-L283 HydrophobicContact CD2-CD2 3.9Å; F278-L283 HydrophobicContact CG-CD2 4.26Å; A279-L283 PolarHBondContact O-N 3.5Å; F280-L283 PolarHBondContact O-N 3.02Å
284	F	98.1	Very high	96.1	Very high	2 Å²	2	79.6 Å²	79.6	1%	0.009	43%	0.425	C	S	.	.	S	Bend	trans	-136.5	76.1	-178.6	-55	-81.9	0	0	0	108.6	I228 L233 F280 D281 F289 R304 L307 L311	I228-F284 HydrophobicContact CB-CD1 4.39Å; I228-F284 HydrophobicContact CG2-CD1 3.96Å; L233-F284 HydrophobicContact CD1-CZ 4.21Å; L233-F284 HydrophobicContact CD2-CE1 3.99Å; L233-F284 HydrophobicContact CD2-CZ 3.9Å; F280-F284 AromaticContact CD1-CD2 3.8Å; F280-F284 HydrophobicContact CD1-CD2 3.8Å; F280-F284 AromaticContact CD1-CE2 3.88Å; F280-F284 HydrophobicContact CD1-CE2 3.88Å; F280-F284 HydrophobicContact CE1-CD2 4.37Å; F280-F284 AromaticContact CE1-CE2 3.97Å; F280-F284 HydrophobicContact CE1-CE2 3.97Å; F280-F284 WeakPolarHBondContact O-CA 3.41Å; F280-F284 PolarHBondContact O-N 3.29Å; D281-F284 CarbonylContact O-C 3.57Å; F284-F289 HydrophobicContact CB-CE2 3.82Å; F284-F289 HydrophobicContact CB-CZ 3.79Å; F284-F289 WeakPolarHBondContact O-CE2 3.3Å; F284-R304 PolarHBondContact O-NE 3.44Å; F284-R304 PolarHBondContact O-NH2 3.05Å; F284-L307 HydrophobicContact CD1-CD1 3.95Å; F284-L307 HydrophobicContact CD2-CD1 3.94Å; F284-L307 HydrophobicContact CE1-CD1 3.94Å; F284-L307 HydrophobicContact CE2-CD1 3.93Å; F284-L307 HydrophobicContact CG-CD1 3.95Å; F284-L307 HydrophobicContact CZ-CD1 3.93Å; F284-L311 HydrophobicContact CE2-CD1 4.36Å; F284-L311 HydrophobicContact CZ-CD1 4.27Å
285	P	97.6	Very high	96.1	Very high	31 Å²	31	72.7 Å²	72.7	20%	0.201	40%	0.402	C	S	.	.			trans	-70	155.3	175.8	28.8	-34.8	0	0	0	111.3	D281 R287 L288 F289	D281-P285 WeakPolarHBondContact O-CA 3.45Å; D281-P285 WeakPolarHBondContact O-CB 3.49Å; P285-R287 HydrophobicContact CB-CG 4.21Å; P285-R287 HydrophobicContact CG-CG 3.95Å; P285-R287 PolarHBondContact O-N 2.97Å; P285-L288 HydrophobicContact CG-CD1 4.24Å; P285-L288 HydrophobicContact CG-CG 4.05Å; P285-L288 WeakPolarHBondContact O-CB 3.15Å; P285-L288 PolarHBondContact O-N 3.49Å; P285-F289 WeakPolarHBondContact O-CD2 3.49Å
286	D	96.5	Very high	96	Very high	112 Å²	112	75.5 Å²	75.5	60%	0.599	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-50.1	-35.2	-176.4	-66.8	-26.7	0	0	0	113.6	L288 F289 R304	D286-L288 PolarHBondContact O-N 3.23Å; D286-F289 PolarHBondContact O-N 2.85Å; D286-R304 IonicContact OD1-CZ 3.02Å; D286-R304 IonicContact OD1-NH1 2.58Å; D286-R304 IonicContact OD1-NH2 3.62Å; D286-R304 PolarHBondContact OD1-NH2 3.37Å
287	R	96.1	Very high	95.9	Very high	207 Å²	207	75.2 Å²	75.2	78%	0.781	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-60.9	-13.7	177.6	69.5	177.8	-177.8	83	1.3	115.5	P285	P285-R287 HydrophobicContact CB-CG 4.21Å; P285-R287 HydrophobicContact CG-CG 3.95Å; P285-R287 PolarHBondContact O-N 2.97Å
288	L	96.5	Very high	95.9	Very high	45 Å²	45	74.4 Å²	74.4	24%	0.236	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-91.1	-12.5	175.4	-62.4	-173	0	0	0	112.6	I228 R229 P285 D286	I228-L288 HydrophobicContact CG2-CB 3.89Å; R229-L288 HydrophobicContact CG-CD1 4.23Å; P285-L288 HydrophobicContact CG-CD1 4.24Å; P285-L288 HydrophobicContact CG-CG 4.05Å; P285-L288 WeakPolarHBondContact O-CB 3.15Å; P285-L288 PolarHBondContact O-N 3.49Å; D286-L288 PolarHBondContact O-N 3.23Å
289	F	97	Very high	95.9	Very high	18 Å²	18	70.9 Å²	70.9	8%	0.079	38%	0.375	C	S	.	.	S	Bend	trans	-93.5	150	179.7	-64.3	-90.5	0	0	0	110.2	H134 I228 F284 P285 D286 A300 A303 R304	H134-F289 AromaticContact CE1-CD1 3.99Å; I228-F289 HydrophobicContact CD1-CD1 4.3Å; I228-F289 HydrophobicContact CD1-CE1 3.53Å; I228-F289 HydrophobicContact CD1-CZ 4.17Å; I228-F289 HydrophobicContact CG1-CD1 4.31Å; I228-F289 HydrophobicContact CG1-CE1 3.98Å; I228-F289 HydrophobicContact CG2-CD1 4.12Å; I228-F289 HydrophobicContact CG2-CE1 3.85Å; I228-F289 HydrophobicContact CG2-CE2 4.24Å; I228-F289 HydrophobicContact CG2-CG 4.46Å; I228-F289 HydrophobicContact CG2-CZ 3.93Å; F284-F289 HydrophobicContact CB-CE2 3.82Å; F284-F289 HydrophobicContact CB-CZ 3.79Å; F284-F289 WeakPolarHBondContact O-CE2 3.3Å; P285-F289 WeakPolarHBondContact O-CD2 3.49Å; D286-F289 PolarHBondContact O-N 2.85Å; F289-A300 HydrophobicContact CB-CB 3.63Å; F289-A300 HydrophobicContact CD1-CB 3.99Å; F289-A300 HydrophobicContact CD2-CB 3.78Å; F289-A300 HydrophobicContact CE2-CB 4.42Å; F289-A300 HydrophobicContact CG-CB 3.51Å; F289-A303 HydrophobicContact CD1-CB 4.04Å; F289-A303 HydrophobicContact CE1-CB 3.55Å; F289-R304 HydrophobicContact CZ-CB 4.15Å
290	P	94.9	Very high	95.9	Very high	28 Å²	28	68.1 Å²	68.1	18%	0.182	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-64.1	168.3	167.3	32.1	-37.7	0	0	0	110.5	L132 H134 M137 N292	L132-P290 WeakPolarHBondContact O-CG 3.35Å; H134-P290 PolarHBondContact NE2-O 3.28Å; M137-P290 VanDerWaalsContact CE-CD 3.49Å; M137-P290 HydrophobicContact CE-CG 3.56Å; P290-N292 PolarHBondContact O-N 3.42Å
291	P	94.4	Very high	95.9	Very high	120 Å²	120	72.9 Å²	72.9	78%	0.779	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-54.3	140.1	169.4	-23.6	34.1	0	0	0	111.4	H134	H134-P291 PolarHBondContact CD2-O 3.46Å
292	N	92.1	Very high	95.9	Very high	105 Å²	105	70.2 Å²	70.2	56%	0.561	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-55	140.4	174.5	-67.2	-25.1	0	0	0	110.4	P290 S299 A300	P290-N292 PolarHBondContact O-N 3.42Å; N292-S299 VanDerWaalsContact OD1-CA 3.29Å; N292-S299 WeakPolarHBondContact OD1-CA 3.47Å; N292-S299 WeakPolarHBondContact OD1-CB 3.5Å; N292-A300 PolarHBondContact OD1-N 3.15Å; N292-A300 VanDerWaalsContact OD1-N 3.08Å
293	S	93.1	Very high	96	Very high	29 Å²	29	61.8 Å²	61.8	20%	0.203	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-74	170.7	173.6	177.6	0	0	0	0	110.7	E135 D295 L298	E135-S293 PolarHBondContact OE1-OG 3.22Å; S293-D295 PolarHBondContact O-N 2.91Å; S293-D295 PolarHBondContact OG-N 2.93Å; S293-L298 PolarHBondContact N-O 2.8Å
294	S	90.8	Very high	96	Very high	122 Å²	122	62.1 Å²	62.1	85%	0.853	33%	0.328	S	S	*	.	S	Bend	trans	-61.9	-27.6	169	50.1	0	0	0	0	112.7	V296	S294-V296 PolarHBondContact O-N 2.61Å
295	D	94.1	Very high	96.1	Very high	42 Å²	42	64.6 Å²	64.6	23%	0.225	34%	0.342	C	S	.	.	S	Bend	trans	-79.8	115.6	169.8	-167.6	-34.7	0	0	0	109.7	S293 R297 L298	S293-D295 PolarHBondContact O-N 2.91Å; S293-D295 PolarHBondContact OG-N 2.93Å; D295-R297 PolarHBondContact O-N 2.76Å; D295-R297 VanDerWaalsContact O-N 3.07Å; D295-R297 WeakPolarHBondContact OD1-CB 3.44Å; D295-R297 WeakPolarHBondContact OD1-CG 3.41Å; D295-R297 IonicContact OD1-CZ 2.69Å; D295-R297 PolarHBondContact OD1-N 2.76Å; D295-R297 IonicContact OD1-NE 3.6Å; D295-R297 PolarHBondContact OD1-NE 3.14Å; D295-R297 IonicContact OD1-NH2 2.58Å; D295-R297 IonicContact OD2-CZ 2.68Å; D295-R297 IonicContact OD2-NE 3.31Å; D295-R297 PolarHBondContact OD2-NE 2.68Å; D295-R297 IonicContact OD2-NH2 2.87Å; D295-R297 PolarHBondContact OD2-NH2 2.56Å; D295-L298 HydrophobicContact CB-CB 4.38Å; D295-L298 HydrophobicContact CB-CD1 4.34Å; D295-L298 HydrophobicContact CB-CG 4.29Å; D295-L298 WeakPolarHBondContact O-CA 3.4Å; D295-L298 WeakPolarHBondContact O-CB 3.25Å; D295-L298 PolarHBondContact O-N 3.2Å
296	V	94.1	Very high	96.1	Very high	121 Å²	121	63.1 Å²	63.1	73%	0.733	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.3	-178.9	-62	0	0	0	0	113.6	S294 L298 S299	S294-V296 PolarHBondContact O-N 2.61Å; V296-L298 PolarHBondContact O-N 2.8Å; V296-S299 PolarHBondContact O-OG 3.22Å; V296-S299 VanDerWaalsContact O-OG 3.08Å
297	R	95.7	Very high	96.2	Very high	100 Å²	100	57.8 Å²	57.8	38%	0.377	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.1	175.7	-59.8	173.8	-71.1	177	4.5	112	D295 S299 Q302 P328 Y329 V332	D295-R297 PolarHBondContact O-N 2.76Å; D295-R297 VanDerWaalsContact O-N 3.07Å; D295-R297 WeakPolarHBondContact OD1-CB 3.44Å; D295-R297 WeakPolarHBondContact OD1-CG 3.41Å; D295-R297 IonicContact OD1-CZ 2.69Å; D295-R297 PolarHBondContact OD1-N 2.76Å; D295-R297 IonicContact OD1-NE 3.6Å; D295-R297 PolarHBondContact OD1-NE 3.14Å; D295-R297 IonicContact OD1-NH2 2.58Å; D295-R297 IonicContact OD2-CZ 2.68Å; D295-R297 IonicContact OD2-NE 3.31Å; D295-R297 PolarHBondContact OD2-NE 2.68Å; D295-R297 IonicContact OD2-NH2 2.87Å; D295-R297 PolarHBondContact OD2-NH2 2.56Å; R297-S299 PolarHBondContact O-N 3.49Å; R297-Q302 VanDerWaalsContact O-CB 3.27Å; R297-Q302 WeakPolarHBondContact O-CB 3.45Å; R297-Q302 WeakPolarHBondContact O-CG 3.34Å; R297-P328 HydrophobicContact CB-CB 4.37Å; R297-P328 HydrophobicContact CG-CB 4.3Å; R297-Y329 WeakPolarHBondContact O-CD2 3.4Å; R297-V332 HydrophobicContact CB-CG1 3.74Å; R297-V332 HydrophobicContact CG-CG1 4.43Å; R297-V332 VanDerWaalsContact CZ-CG1 3.49Å
298	L	97.6	Very high	96.3	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	28%	0.281	C	S	.	.	S	Bend	trans	-100.3	71.9	179	-67	-173.9	0	0	0	110.3	H134 E135 S138 S293 D295 V296 Y329 V332	H134-L298 HydrophobicContact CB-CB 3.87Å; H134-L298 PolarHBondContact CD2-O 3.35Å; E135-L298 HydrophobicContact CB-CD1 4.43Å; E135-L298 HydrophobicContact CG-CD1 3.51Å; S138-L298 VanDerWaalsContact OG-CD2 3.26Å; S138-L298 WeakPolarHBondContact OG-CD2 3.44Å; S293-L298 PolarHBondContact N-O 2.8Å; D295-L298 HydrophobicContact CB-CB 4.38Å; D295-L298 HydrophobicContact CB-CD1 4.34Å; D295-L298 HydrophobicContact CB-CG 4.29Å; D295-L298 WeakPolarHBondContact O-CA 3.4Å; D295-L298 WeakPolarHBondContact O-CB 3.25Å; D295-L298 PolarHBondContact O-N 3.2Å; V296-L298 PolarHBondContact O-N 2.8Å; L298-Y329 HydrophobicContact CD2-CD2 4.22Å; L298-Y329 HydrophobicContact CD2-CE2 4.21Å; L298-V332 HydrophobicContact CD1-CG2 4.38Å; L298-V332 HydrophobicContact CD2-CG1 4.39Å; L298-V332 HydrophobicContact CD2-CG2 3.93Å; L298-V332 HydrophobicContact CG-CG1 4.4Å; L298-V332 HydrophobicContact CG-CG2 4.34Å
299	S	97.4	Very high	96.4	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.063	29%	0.285	C	S	.	.	S	Bend	trans	-136.1	162.9	-175.1	59.4	0	0	0	0	112.5	N292 V296 R297 E301 Q302 A303	N292-S299 VanDerWaalsContact OD1-CA 3.29Å; N292-S299 WeakPolarHBondContact OD1-CA 3.47Å; N292-S299 WeakPolarHBondContact OD1-CB 3.5Å; V296-S299 PolarHBondContact O-OG 3.22Å; V296-S299 VanDerWaalsContact O-OG 3.08Å; R297-S299 PolarHBondContact O-N 3.49Å; S299-E301 VanDerWaalsContact C-N 3.26Å; S299-E301 PolarHBondContact O-N 3.34Å; S299-Q302 PolarHBondContact O-N 3.03Å; S299-Q302 WeakPolarHBondContact OG-CG 3.37Å; S299-A303 WeakPolarHBondContact O-CB 3.38Å; S299-A303 PolarHBondContact O-N 3.48Å
300	A	97.7	Very high	96.5	Very high	8 Å²	8	50.6 Å²	50.6	7%	0.066	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-38	175.3	0	0	0	0	0	112.8	H134 F289 N292 R304	H134-A300 PolarHBondContact CE1-N 3.02Å; H134-A300 PolarHBondContact NE2-N 2.99Å; F289-A300 HydrophobicContact CB-CB 3.63Å; F289-A300 HydrophobicContact CD1-CB 3.99Å; F289-A300 HydrophobicContact CD2-CB 3.78Å; F289-A300 HydrophobicContact CE2-CB 4.42Å; F289-A300 HydrophobicContact CG-CB 3.51Å; N292-A300 PolarHBondContact OD1-N 3.15Å; N292-A300 VanDerWaalsContact OD1-N 3.08Å; A300-R304 VanDerWaalsContact O-CB 3.25Å; A300-R304 WeakPolarHBondContact O-CB 3.13Å; A300-R304 PolarHBondContact O-N 3.42Å
301	E	97.8	Very high	96.7	Very high	138 Å²	138	49.5 Å²	49.5	65%	0.645	27%	0.273	S	S	*	.	H	α-helix	trans	-61.8	-50.7	177.7	-176.5	-177.1	176.8	0	0	111.3	S299 A303 R304 D305	S299-E301 VanDerWaalsContact C-N 3.26Å; S299-E301 PolarHBondContact O-N 3.34Å; E301-A303 PolarHBondContact O-N 3.46Å; E301-R304 PolarHBondContact O-N 3.04Å; E301-D305 WeakPolarHBondContact O-CB 3.11Å; E301-D305 PolarHBondContact O-N 3.31Å
302	Q	98.4	Very high	96.9	Very high	41 Å²	41	45.4 Å²	45.4	19%	0.192	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-37.7	-179.4	-68.6	-63.8	-31.1	0	0	112.3	R297 S299 L306 H327 Y329	R297-Q302 VanDerWaalsContact O-CB 3.27Å; R297-Q302 WeakPolarHBondContact O-CB 3.45Å; R297-Q302 WeakPolarHBondContact O-CG 3.34Å; S299-Q302 PolarHBondContact O-N 3.03Å; S299-Q302 WeakPolarHBondContact OG-CG 3.37Å; Q302-L306 PolarHBondContact O-N 3.26Å; Q302-H327 PolarHBondContact O-CE1 2.79Å; Q302-H327 VanDerWaalsContact O-CE1 3.23Å; Q302-H327 PolarHBondContact OE1-CE1 3.33Å; Q302-Y329 HydrophobicContact CB-CD2 3.86Å; Q302-Y329 HydrophobicContact CB-CG 4.38Å
303	A	98.5	Very high	97.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-45.7	173.6	0	0	0	0	0	111.8	F224 F289 S299 E301 L306 L307 Y329	F224-A303 HydrophobicContact CE1-CB 4.49Å; F224-A303 WeakPolarHBondContact CE1-O 3.31Å; F224-A303 HydrophobicContact CZ-CB 3.79Å; F289-A303 HydrophobicContact CD1-CB 4.04Å; F289-A303 HydrophobicContact CE1-CB 3.55Å; S299-A303 WeakPolarHBondContact O-CB 3.38Å; S299-A303 PolarHBondContact O-N 3.48Å; E301-A303 PolarHBondContact O-N 3.46Å; A303-L306 PolarHBondContact O-N 3.07Å; A303-L307 PolarHBondContact O-N 3.32Å; A303-Y329 HydrophobicContact CB-CD1 4.48Å; A303-Y329 HydrophobicContact CB-CD2 4.06Å; A303-Y329 HydrophobicContact CB-CE1 4.12Å; A303-Y329 HydrophobicContact CB-CE2 3.66Å; A303-Y329 HydrophobicContact CB-CG 4.46Å
304	R	98.5	Very high	97.4	Very high	22 Å²	22	40.2 Å²	40.2	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-39.6	179.2	-170.5	-175.6	-55.5	117.7	20.2	112.2	F280 D281 F284 D286 F289 A300 E301 L307 C308	F280-R304 HydrophobicContact CB-CG 3.85Å; D281-R304 WeakPolarHBondContact OD1-CD 3.47Å; D281-R304 IonicContact OD1-CZ 3.98Å; D281-R304 IonicContact OD1-NE 3.04Å; D281-R304 PolarHBondContact OD1-NE 3.13Å; D281-R304 IonicContact OD1-NH1 2.68Å; D281-R304 PolarHBondContact OD1-NH1 2.87Å; F284-R304 PolarHBondContact O-NE 3.44Å; F284-R304 PolarHBondContact O-NH2 3.05Å; D286-R304 IonicContact OD1-CZ 3.02Å; D286-R304 IonicContact OD1-NH1 2.58Å; D286-R304 IonicContact OD1-NH2 3.62Å; D286-R304 PolarHBondContact OD1-NH2 3.37Å; F289-R304 HydrophobicContact CZ-CB 4.15Å; A300-R304 VanDerWaalsContact O-CB 3.25Å; A300-R304 WeakPolarHBondContact O-CB 3.13Å; A300-R304 PolarHBondContact O-N 3.42Å; E301-R304 PolarHBondContact O-N 3.04Å; R304-L307 WeakPolarHBondContact O-CB 3.45Å; R304-L307 PolarHBondContact O-N 3.43Å; R304-C308 PolarHBondContact O-N 3.28Å
305	D	98.7	Very high	97.7	Very high	54 Å²	54	35.2 Å²	35.2	29%	0.289	18%	0.181	S	C	.	.	H	α-helix	trans	-61.8	-44	175.3	-178.3	45.1	0	0	0	111.1	E301 L307 C308 K309 H327	E301-D305 WeakPolarHBondContact O-CB 3.11Å; E301-D305 PolarHBondContact O-N 3.31Å; D305-L307 PolarHBondContact O-N 3.32Å; D305-C308 PolarHBondContact O-N 3.1Å; D305-C308 PolarHBondContact O-SG 3.14Å; D305-K309 VanDerWaalsContact CG-NZ 3.27Å; D305-K309 WeakPolarHBondContact O-CG 3.23Å; D305-K309 PolarHBondContact O-N 3.47Å; D305-K309 VanDerWaalsContact OD1-CE 3.29Å; D305-K309 WeakPolarHBondContact OD1-CE 3.3Å; D305-K309 IonicContact OD1-NZ 3.42Å; D305-K309 PolarHBondContact OD1-NZ 3.29Å; D305-K309 WeakPolarHBondContact OD2-CE 3.18Å; D305-K309 IonicContact OD2-NZ 3.8Å; D305-K309 PolarHBondContact OD2-NZ 2.98Å; D305-H327 IonicContact OD2-CE1 3.92Å; D305-H327 IonicContact OD2-NE2 3.9Å; D305-H327 PolarHBondContact OD2-NE2 3.48Å
306	L	98.8	Very high	97.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-43.6	174.2	-173.7	50.7	0	0	0	112.1	L141 F224 Q302 A303 C308 K309 M310 I319 A324 H327 Y329 V330	L141-L306 HydrophobicContact CD2-CD2 3.49Å; L141-L306 VanDerWaalsContact CD2-CD2 3.49Å; F224-L306 HydrophobicContact CE1-CB 4.38Å; F224-L306 HydrophobicContact CE1-CD2 4.41Å; F224-L306 HydrophobicContact CE1-CG 4.49Å; Q302-L306 PolarHBondContact O-N 3.26Å; A303-L306 PolarHBondContact O-N 3.07Å; L306-C308 VanDerWaalsContact C-N 3.27Å; L306-C308 PolarHBondContact O-N 3.22Å; L306-K309 PolarHBondContact O-N 3.23Å; L306-K309 VanDerWaalsContact O-N 3.14Å; L306-M310 HydrophobicContact CD1-CE 3.73Å; L306-M310 HydrophobicContact CD1-CG 4.16Å; L306-M310 HydrophobicContact CD1-SD 4.37Å; L306-M310 HydrophobicContact CD2-CE 3.98Å; L306-M310 HydrophobicContact CG-CE 3.79Å; L306-M310 HydrophobicContact CG-CG 4.37Å; L306-M310 HydrophobicContact CG-SD 4.11Å; L306-M310 WeakPolarHBondContact O-CG 3.3Å; L306-M310 PolarHBondContact O-N 3.29Å; L306-I319 HydrophobicContact CD1-CD1 4.2Å; L306-A324 HydrophobicContact CD1-CB 4.47Å; L306-H327 HydrophobicContact CD1-CB 3.84Å; L306-H327 HydrophobicContact CD2-CB 4.3Å; L306-Y329 HydrophobicContact CD2-CD1 4.33Å; L306-V330 HydrophobicContact CD2-CG2 3.53Å
307	L	98.5	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.1	-41.4	174.6	-87.4	172.8	0	0	0	112.2	G221 F224 I228 F280 F284 A303 R304 D305 K309 M310 L311	G221-L307 WeakPolarHBondContact O-CD2 3.44Å; F224-L307 HydrophobicContact CB-CD2 4.12Å; F224-L307 HydrophobicContact CD1-CD1 4.44Å; F224-L307 HydrophobicContact CD1-CD2 3.65Å; F224-L307 HydrophobicContact CD1-CG 3.59Å; F224-L307 HydrophobicContact CE1-CD1 4.47Å; F224-L307 HydrophobicContact CE1-CD2 4.37Å; F224-L307 HydrophobicContact CE1-CG 3.8Å; F224-L307 HydrophobicContact CG-CD2 4.07Å; F224-L307 HydrophobicContact CG-CG 4.33Å; I228-L307 HydrophobicContact CD1-CD1 3.47Å; I228-L307 VanDerWaalsContact CD1-CD1 3.47Å; I228-L307 HydrophobicContact CD1-CG 4.4Å; F280-L307 HydrophobicContact CD1-CB 4.13Å; F280-L307 HydrophobicContact CE1-CB 4.03Å; F284-L307 HydrophobicContact CD1-CD1 3.95Å; F284-L307 HydrophobicContact CD2-CD1 3.94Å; F284-L307 HydrophobicContact CE1-CD1 3.94Å; F284-L307 HydrophobicContact CE2-CD1 3.93Å; F284-L307 HydrophobicContact CG-CD1 3.95Å; F284-L307 HydrophobicContact CZ-CD1 3.93Å; A303-L307 PolarHBondContact O-N 3.32Å; R304-L307 WeakPolarHBondContact O-CB 3.45Å; R304-L307 PolarHBondContact O-N 3.43Å; D305-L307 PolarHBondContact O-N 3.32Å; L307-K309 PolarHBondContact O-N 3.03Å; L307-M310 PolarHBondContact O-N 3.05Å; L307-L311 HydrophobicContact CD2-CD1 3.93Å; L307-L311 HydrophobicContact CD2-CG 4.39Å; L307-L311 WeakPolarHBondContact O-CB 3.38Å; L307-L311 PolarHBondContact O-N 2.87Å
308	C	98.4	Very high	98.2	Very high	45 Å²	45	34.5 Å²	34.5	30%	0.304	17%	0.17	S	C	.	.	H	α-helix	trans	-65.7	-28.6	-179.4	92.1	0	0	0	0	112.7	F280 R304 D305 L306 V312	F280-C308 HydrophobicContact CB-CB 4.45Å; F280-C308 HydrophobicContact CD1-CB 3.94Å; F280-C308 HydrophobicContact CD2-CB 3.78Å; F280-C308 HydrophobicContact CE1-CB 4.12Å; F280-C308 HydrophobicContact CE2-CB 3.97Å; F280-C308 HydrophobicContact CG-CB 3.78Å; F280-C308 HydrophobicContact CZ-CB 4.15Å; R304-C308 PolarHBondContact O-N 3.28Å; D305-C308 PolarHBondContact O-N 3.1Å; D305-C308 PolarHBondContact O-SG 3.14Å; L306-C308 VanDerWaalsContact C-N 3.27Å; L306-C308 PolarHBondContact O-N 3.22Å; C308-V312 WeakPolarHBondContact O-CG2 3.41Å
309	K	98.8	Very high	98.2	Very high	73 Å²	73	35.3 Å²	35.3	32%	0.317	17%	0.174	S	C	.	.	H	α-helix	trans	-83.3	-28.9	176.4	-68.5	170.2	-174	160.1	0	113.5	D305 L306 L307 V312 I319 H327	D305-K309 VanDerWaalsContact CG-NZ 3.27Å; D305-K309 WeakPolarHBondContact O-CG 3.23Å; D305-K309 PolarHBondContact O-N 3.47Å; D305-K309 VanDerWaalsContact OD1-CE 3.29Å; D305-K309 WeakPolarHBondContact OD1-CE 3.3Å; D305-K309 IonicContact OD1-NZ 3.42Å; D305-K309 PolarHBondContact OD1-NZ 3.29Å; D305-K309 WeakPolarHBondContact OD2-CE 3.18Å; D305-K309 IonicContact OD2-NZ 3.8Å; D305-K309 PolarHBondContact OD2-NZ 2.98Å; L306-K309 PolarHBondContact O-N 3.23Å; L306-K309 VanDerWaalsContact O-N 3.14Å; L307-K309 PolarHBondContact O-N 3.03Å; K309-V312 WeakPolarHBondContact O-CG2 3.5Å; K309-I319 HydrophobicContact CB-CB 4Å; K309-I319 HydrophobicContact CB-CD1 4.09Å; K309-I319 HydrophobicContact CB-CG2 4.13Å; K309-I319 HydrophobicContact CD-CD1 4.16Å; K309-I319 WeakPolarHBondContact O-CG2 3.32Å; K309-I319 PolarHBondContact O-N 3.42Å; K309-I319 VanDerWaalsContact O-N 3.08Å; K309-H327 PolarHBondContact NZ-NE2 3.01Å
310	M	98.8	Very high	98.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-83.3	-45.2	177.3	-68	-175.7	166.2	0	0	113	L141 L145 I217 V220 L306 L307 V312 R318 I319 A324	L141-M310 HydrophobicContact CD1-CE 4.2Å; L141-M310 HydrophobicContact CD2-CE 4.35Å; L145-M310 HydrophobicContact CD1-CE 4.27Å; L145-M310 HydrophobicContact CD2-CE 4.31Å; I217-M310 HydrophobicContact CG2-CB 4.01Å; I217-M310 HydrophobicContact CG2-CG 3.86Å; V220-M310 HydrophobicContact CG1-CE 4.04Å; V220-M310 HydrophobicContact CG1-SD 4.03Å; L306-M310 HydrophobicContact CD1-CE 3.73Å; L306-M310 HydrophobicContact CD1-CG 4.16Å; L306-M310 HydrophobicContact CD1-SD 4.37Å; L306-M310 HydrophobicContact CD2-CE 3.98Å; L306-M310 HydrophobicContact CG-CE 3.79Å; L306-M310 HydrophobicContact CG-CG 4.37Å; L306-M310 HydrophobicContact CG-SD 4.11Å; L306-M310 WeakPolarHBondContact O-CG 3.3Å; L306-M310 PolarHBondContact O-N 3.29Å; L307-M310 PolarHBondContact O-N 3.05Å; M310-V312 PolarHBondContact O-N 2.88Å; M310-R318 VanDerWaalsContact O-CD 3.31Å; M310-R318 WeakPolarHBondContact O-CD 3.31Å; M310-R318 VanDerWaalsContact O-CG 3.31Å; M310-R318 WeakPolarHBondContact O-CG 3.45Å; M310-I319 HydrophobicContact CG-CG2 3.86Å; M310-A324 HydrophobicContact CE-CB 3.92Å
311	L	98.8	Very high	98.3	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	18%	0.184	C	C	.	.	S	Bend	trans	-85.5	54.8	-178	-68	178.7	0	0	0	111.5	L233 F234 L250 F280 F284 L307	L233-L311 HydrophobicContact CD1-CD1 3.63Å; L233-L311 HydrophobicContact CD1-CD2 4.42Å; F234-L311 HydrophobicContact CE2-CD2 4.17Å; L250-L311 HydrophobicContact CD1-CB 4.41Å; L250-L311 WeakPolarHBondContact CD1-O 3.35Å; F280-L311 HydrophobicContact CE1-CB 4.16Å; F280-L311 HydrophobicContact CE1-CD1 4.21Å; F280-L311 HydrophobicContact CZ-CB 3.89Å; F284-L311 HydrophobicContact CE2-CD1 4.36Å; F284-L311 HydrophobicContact CZ-CD1 4.27Å; L307-L311 HydrophobicContact CD2-CD1 3.93Å; L307-L311 HydrophobicContact CD2-CG 4.39Å; L307-L311 WeakPolarHBondContact O-CB 3.38Å; L307-L311 PolarHBondContact O-N 2.87Å
312	V	98.6	Very high	98.3	Very high	34 Å²	34	33.8 Å²	33.8	21%	0.206	17%	0.172	C	C	.	.			trans	-104.9	124.3	176.6	-179.5	0	0	0	0	109.2	C308 K309 M310 D314 K317 R318	C308-V312 WeakPolarHBondContact O-CG2 3.41Å; K309-V312 WeakPolarHBondContact O-CG2 3.5Å; M310-V312 PolarHBondContact O-N 2.88Å; V312-D314 VanDerWaalsContact C-N 3.33Å; V312-D314 HydrophobicContact CG1-CB 4.5Å; V312-D314 PolarHBondContact O-N 2.86Å; V312-K317 HydrophobicContact CG1-CB 3.93Å; V312-R318 HydrophobicContact CB-CB 4.01Å; V312-R318 HydrophobicContact CB-CG 4.23Å; V312-R318 PolarHBondContact O-NE 2.84Å; V312-R318 PolarHBondContact O-NH2 3.15Å; V312-R318 VanDerWaalsContact O-NH2 3.07Å
313	I	98.3	Very high	98.3	Very high	15 Å²	15	36.4 Å²	36.4	8%	0.077	19%	0.188	C	C	.	.	S	Bend	trans	-61.1	-45	-177.8	-67.2	176.7	0	0	0	111	P203 W218 W243 I246 I247 L250 G251 P253 F257 P315 R318	P203-I313 HydrophobicContact CB-CG2 4.05Å; P203-I313 HydrophobicContact CG-CB 4.41Å; P203-I313 HydrophobicContact CG-CG1 4.46Å; P203-I313 HydrophobicContact CG-CG2 4.07Å; W218-I313 HydrophobicContact CH2-CG1 4.41Å; W218-I313 HydrophobicContact CZ3-CG1 4.38Å; W243-I313 HydrophobicContact CH2-CG2 3.93Å; W243-I313 HydrophobicContact CZ3-CG2 4.11Å; I246-I313 HydrophobicContact CG2-CD1 3.88Å; I246-I313 HydrophobicContact CG2-CG1 3.93Å; I247-I313 HydrophobicContact CG2-CD1 4.28Å; L250-I313 HydrophobicContact CB-CD1 4.08Å; L250-I313 HydrophobicContact CB-CG1 4.34Å; L250-I313 HydrophobicContact CD1-CG1 4.12Å; G251-I313 WeakPolarHBondContact O-CD1 3.49Å; P253-I313 HydrophobicContact CB-CG2 4.01Å; P253-I313 HydrophobicContact CG-CG2 4.42Å; F257-I313 HydrophobicContact CE1-CG2 4.23Å; F257-I313 HydrophobicContact CE2-CG2 4.05Å; F257-I313 HydrophobicContact CZ-CG2 3.89Å; I313-P315 VanDerWaalsContact O-CD 3.29Å; I313-P315 WeakPolarHBondContact O-CD 3.48Å; I313-R318 PolarHBondContact O-NH2 3.04Å
314	D	97.8	Very high	98.3	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.053	19%	0.188	C	C	.	.	S	Bend	trans	-76.4	113.5	-178.9	-169.6	-26.3	0	0	0	111	F257 R260 V312 E316 K317 R318	F257-D314 HydrophobicContact CD2-CB 4.11Å; R260-D314 IonicContact CZ-OD1 2.72Å; R260-D314 IonicContact NH1-OD1 3.75Å; R260-D314 IonicContact NH2-OD1 2.89Å; R260-D314 PolarHBondContact NH2-OD1 3Å; R260-D314 IonicContact NH2-OD2 3.71Å; R260-D314 PolarHBondContact NH2-OD2 2.83Å; V312-D314 VanDerWaalsContact C-N 3.33Å; V312-D314 HydrophobicContact CG1-CB 4.5Å; V312-D314 PolarHBondContact O-N 2.86Å; D314-E316 PolarHBondContact O-N 3.11Å; D314-E316 WeakPolarHBondContact OD1-CB 3.4Å; D314-E316 PolarHBondContact OD1-N 3.31Å; D314-K317 HydrophobicContact CB-CB 4.31Å; D314-K317 HydrophobicContact CB-CD 4.28Å; D314-K317 HydrophobicContact CB-CG 4.29Å; D314-K317 PolarHBondContact O-N 3.2Å; D314-R318 PolarHBondContact O-N 2.63Å; D314-R318 VanDerWaalsContact O-N 3.11Å
315	P	97.1	Very high	98.3	Very high	17 Å²	17	35.4 Å²	35.4	11%	0.11	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.4	179.9	28	-35.7	0	0	0	113.5	E204 N214 I313 K317	E204-P315 HydrophobicContact CB-CG 4.49Å; N214-P315 PolarHBondContact ND2-O 2.8Å; I313-P315 VanDerWaalsContact O-CD 3.29Å; I313-P315 WeakPolarHBondContact O-CD 3.48Å; P315-K317 VanDerWaalsContact C-N 3.27Å
316	E	96.6	Very high	98.3	Very high	123 Å²	123	37 Å²	37	58%	0.575	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.2	174.6	-71.3	174	-166.2	0	0	112.8	R260 D314	R260-E316 IonicContact CZ-OE1 3.84Å; R260-E316 IonicContact CZ-OE2 3.77Å; R260-E316 IonicContact NE-OE1 3.53Å; R260-E316 IonicContact NH1-OE1 3.61Å; R260-E316 PolarHBondContact NH1-OE1 2.83Å; R260-E316 IonicContact NH1-OE2 2.83Å; D314-E316 PolarHBondContact O-N 3.11Å; D314-E316 WeakPolarHBondContact OD1-CB 3.4Å; D314-E316 PolarHBondContact OD1-N 3.31Å
317	K	97.9	Very high	98.3	Very high	115 Å²	115	37.3 Å²	37.3	50%	0.5	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-8.9	-179.7	-57.8	179.5	-171.1	178.6	0	112.6	E256 V312 D314 P315	E256-K317 IonicContact OE2-NZ 2.82Å; E256-K317 PolarHBondContact OE2-NZ 3.42Å; V312-K317 HydrophobicContact CG1-CB 3.93Å; D314-K317 HydrophobicContact CB-CB 4.31Å; D314-K317 HydrophobicContact CB-CD 4.28Å; D314-K317 HydrophobicContact CB-CG 4.29Å; D314-K317 PolarHBondContact O-N 3.2Å; P315-K317 VanDerWaalsContact C-N 3.27Å
318	R	98.5	Very high	98.3	Very high	10 Å²	10	39.8 Å²	39.8	4%	0.038	21%	0.207	C	C	.	.	S	Bend	trans	-75.1	136.8	177.7	-167.4	-175.6	-55.3	144.6	5	110	E204 N214 I217 M310 V312 I313 D314	E204-R318 IonicContact OE1-CZ 3.18Å; E204-R318 IonicContact OE1-NH1 2.85Å; E204-R318 PolarHBondContact OE1-NH1 2.95Å; E204-R318 IonicContact OE1-NH2 2.72Å; E204-R318 PolarHBondContact OE1-NH2 3.03Å; E204-R318 IonicContact OE2-CZ 2.68Å; E204-R318 IonicContact OE2-NH1 2.7Å; E204-R318 IonicContact OE2-NH2 3.64Å; E204-R318 PolarHBondContact OE2-NH2 3Å; N214-R318 PolarHBondContact ND2-O 2.74Å; N214-R318 WeakPolarHBondContact O-CD 3.3Å; N214-R318 PolarHBondContact O-NH1 2.91Å; I217-R318 HydrophobicContact CG2-CG 3.98Å; M310-R318 VanDerWaalsContact O-CD 3.31Å; M310-R318 WeakPolarHBondContact O-CD 3.31Å; M310-R318 VanDerWaalsContact O-CG 3.31Å; M310-R318 WeakPolarHBondContact O-CG 3.45Å; V312-R318 HydrophobicContact CB-CB 4.01Å; V312-R318 HydrophobicContact CB-CG 4.23Å; V312-R318 PolarHBondContact O-NE 2.84Å; V312-R318 PolarHBondContact O-NH2 3.15Å; V312-R318 VanDerWaalsContact O-NH2 3.07Å; I313-R318 PolarHBondContact O-NH2 3.04Å; D314-R318 PolarHBondContact O-N 2.63Å; D314-R318 VanDerWaalsContact O-N 3.11Å
319	I	98.8	Very high	98.3	Very high	22 Å²	22	37.7 Å²	37.7	11%	0.113	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-53.2	144.2	178.4	-163.9	170.3	0	0	0	111.9	I217 L306 K309 M310 D323 A324	I217-I319 HydrophobicContact CG2-CG2 3.7Å; L306-I319 HydrophobicContact CD1-CD1 4.2Å; K309-I319 HydrophobicContact CB-CB 4Å; K309-I319 HydrophobicContact CB-CD1 4.09Å; K309-I319 HydrophobicContact CB-CG2 4.13Å; K309-I319 HydrophobicContact CD-CD1 4.16Å; K309-I319 WeakPolarHBondContact O-CG2 3.32Å; K309-I319 PolarHBondContact O-N 3.42Å; K309-I319 VanDerWaalsContact O-N 3.08Å; M310-I319 HydrophobicContact CG-CG2 3.86Å; I319-D323 HydrophobicContact CD1-CB 3.97Å; I319-D323 HydrophobicContact CG1-CB 3.5Å; I319-A324 HydrophobicContact CD1-CB 4.14Å; I319-A324 HydrophobicContact CG1-CB 4.41Å; I319-A324 HydrophobicContact CG2-CB 4.4Å
320	S	98.2	Very high	98.3	Very high	38 Å²	38	34.2 Å²	34.2	27%	0.266	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-78	168.7	173.4	76.1	0	0	0	0	111.3	D323 A324	S320-D323 WeakPolarHBondContact OG-CB 3.5Å; S320-D323 PolarHBondContact OG-N 2.89Å; S320-D323 PolarHBondContact OG-OD2 2.88Å; S320-A324 VanDerWaalsContact O-CB 3.3Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 3.44Å
321	V	97.9	Very high	98.3	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-43.4	174.4	179.9	0	0	0	0	111.2	L145 I148 R149 I217 A324 L325	L145-V321 HydrophobicContact CD2-CG1 4.29Å; I148-V321 HydrophobicContact CG2-CG1 4.46Å; I148-V321 HydrophobicContact CG2-CG2 3.87Å; R149-V321 HydrophobicContact CB-CG1 3.76Å; R149-V321 HydrophobicContact CG-CG1 4.34Å; I217-V321 HydrophobicContact CD1-CB 4.38Å; I217-V321 HydrophobicContact CD1-CG2 3.83Å; I217-V321 HydrophobicContact CG1-CG2 3.75Å; V321-A324 PolarHBondContact O-N 2.77Å; V321-L325 HydrophobicContact CG1-CD1 4.25Å; V321-L325 WeakPolarHBondContact O-CG 3.14Å; V321-L325 PolarHBondContact O-N 3.31Å
322	D	97.8	Very high	98.2	Very high	76 Å²	76	38.9 Å²	38.9	41%	0.406	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-43.9	179.5	-66.7	-50.2	0	0	0	111	R149 A324 L325 Q326	R149-D322 WeakPolarHBondContact CD-OD1 3.41Å; R149-D322 IonicContact CZ-OD1 2.7Å; R149-D322 IonicContact NE-OD1 2.68Å; R149-D322 PolarHBondContact NE-OD1 3.06Å; R149-D322 IonicContact NH2-OD1 3.25Å; D322-A324 VanDerWaalsContact C-N 3.32Å; D322-A324 PolarHBondContact O-N 3.06Å; D322-L325 WeakPolarHBondContact O-CB 3.39Å; D322-L325 PolarHBondContact O-N 3.11Å; D322-Q326 WeakPolarHBondContact O-CG 3.43Å; D322-Q326 PolarHBondContact O-N 3.26Å; D322-Q326 VanDerWaalsContact O-N 3.14Å
323	D	98.5	Very high	98.2	Very high	96 Å²	96	41.3 Å²	41.3	51%	0.513	21%	0.207	S	C	.	.	H	α-helix	trans	-66.4	-34.3	177	-62.9	-42.1	0	0	0	112.2	I319 S320 L325 Q326 H327	I319-D323 HydrophobicContact CD1-CB 3.97Å; I319-D323 HydrophobicContact CG1-CB 3.5Å; S320-D323 WeakPolarHBondContact OG-CB 3.5Å; S320-D323 PolarHBondContact OG-N 2.89Å; S320-D323 PolarHBondContact OG-OD2 2.88Å; D323-L325 VanDerWaalsContact C-N 3.34Å; D323-Q326 CarbonylContact O-C 3.55Å; D323-Q326 PolarHBondContact O-N 3.03Å; D323-H327 PolarHBondContact O-N 2.97Å; D323-H327 VanDerWaalsContact O-N 3.1Å
324	A	98.8	Very high	98.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-36	175.3	0	0	0	0	0	112	L145 I217 L306 M310 I319 S320 V321 D322 Q326 H327 V330	L145-A324 HydrophobicContact CD1-CB 3.92Å; L145-A324 HydrophobicContact CD2-CB 3.95Å; I217-A324 HydrophobicContact CD1-CB 4.12Å; L306-A324 HydrophobicContact CD1-CB 4.47Å; M310-A324 HydrophobicContact CE-CB 3.92Å; I319-A324 HydrophobicContact CD1-CB 4.14Å; I319-A324 HydrophobicContact CG1-CB 4.41Å; I319-A324 HydrophobicContact CG2-CB 4.4Å; S320-A324 VanDerWaalsContact O-CB 3.3Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 3.44Å; V321-A324 PolarHBondContact O-N 2.77Å; D322-A324 VanDerWaalsContact C-N 3.32Å; D322-A324 PolarHBondContact O-N 3.06Å; A324-Q326 VanDerWaalsContact C-N 3.27Å; A324-Q326 PolarHBondContact O-N 3.22Å; A324-H327 VanDerWaalsContact O-CB 3.23Å; A324-H327 WeakPolarHBondContact O-CB 3.4Å; A324-H327 PolarHBondContact O-N 2.91Å; A324-V330 WeakPolarHBondContact O-CB 3.33Å
325	L	98.6	Very high	98.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-29	172.7	-75.5	163.8	0	0	0	112.6	Y142 L145 R149 V321 D322 D323 H327 V330 V339	Y142-L325 HydrophobicContact CD2-CD2 3.95Å; Y142-L325 HydrophobicContact CE2-CD2 4.21Å; L145-L325 HydrophobicContact CB-CD2 3.55Å; L145-L325 HydrophobicContact CB-CG 3.85Å; L145-L325 HydrophobicContact CD1-CD2 4.36Å; L145-L325 HydrophobicContact CD1-CG 4.47Å; R149-L325 HydrophobicContact CB-CD1 4.34Å; R149-L325 HydrophobicContact CG-CD1 4.49Å; V321-L325 HydrophobicContact CG1-CD1 4.25Å; V321-L325 WeakPolarHBondContact O-CG 3.14Å; V321-L325 PolarHBondContact O-N 3.31Å; D322-L325 WeakPolarHBondContact O-CB 3.39Å; D322-L325 PolarHBondContact O-N 3.11Å; D323-L325 VanDerWaalsContact C-N 3.34Å; L325-H327 VanDerWaalsContact C-N 3.34Å; L325-V330 HydrophobicContact CD2-CG1 4.25Å; L325-V339 HydrophobicContact CD1-CG1 3.93Å; L325-V339 HydrophobicContact CD1-CG2 4.44Å; L325-V339 HydrophobicContact CD2-CG2 4.3Å
326	Q	98.5	Very high	98.2	Very high	87 Å²	87	51.3 Å²	51.3	41%	0.407	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.5	174.7	-62.5	-56.7	-45.1	0	0	113.7	D322 D323 A324 H331	D322-Q326 WeakPolarHBondContact O-CG 3.43Å; D322-Q326 PolarHBondContact O-N 3.26Å; D322-Q326 VanDerWaalsContact O-N 3.14Å; D323-Q326 CarbonylContact O-C 3.55Å; D323-Q326 PolarHBondContact O-N 3.03Å; A324-Q326 VanDerWaalsContact C-N 3.27Å; A324-Q326 PolarHBondContact O-N 3.22Å; Q326-H331 PolarHBondContact OE1-CD2 2.97Å; Q326-H331 VanDerWaalsContact OE1-CD2 3.24Å
327	H	98.8	Very high	98.2	Very high	7 Å²	7	49 Å²	49	3%	0.032	26%	0.256	C	S	.	.	S	Bend	trans	-63.7	137.9	179.5	-166.7	-86.8	0	0	0	110.9	Q302 D305 L306 K309 D323 A324 L325 Y329 V330 H331	Q302-H327 PolarHBondContact O-CE1 2.79Å; Q302-H327 VanDerWaalsContact O-CE1 3.23Å; Q302-H327 PolarHBondContact OE1-CE1 3.33Å; D305-H327 IonicContact OD2-CE1 3.92Å; D305-H327 IonicContact OD2-NE2 3.9Å; D305-H327 PolarHBondContact OD2-NE2 3.48Å; L306-H327 HydrophobicContact CD1-CB 3.84Å; L306-H327 HydrophobicContact CD2-CB 4.3Å; K309-H327 PolarHBondContact NZ-NE2 3.01Å; D323-H327 PolarHBondContact O-N 2.97Å; D323-H327 VanDerWaalsContact O-N 3.1Å; A324-H327 VanDerWaalsContact O-CB 3.23Å; A324-H327 WeakPolarHBondContact O-CB 3.4Å; A324-H327 PolarHBondContact O-N 2.91Å; L325-H327 VanDerWaalsContact C-N 3.34Å; H327-Y329 PolarHBondContact ND1-N 2.93Å; H327-Y329 PolarHBondContact O-N 3.21Å; H327-Y329 VanDerWaalsContact O-N 3.08Å; H327-V330 PolarHBondContact O-N 3.35Å; H327-H331 VanDerWaalsContact O-CB 3.31Å; H327-H331 WeakPolarHBondContact O-CB 3.19Å; H327-H331 PolarHBondContact O-N 2.87Å
328	P	98.6	Very high	98.1	Very high	52 Å²	52	45.8 Å²	45.8	34%	0.338	24%	0.242	S	C	.	.	H	α-helix	trans	-52.4	-39.8	-175.9	-27.8	33.2	0	0	0	114.2	R297 V330 V332	R297-P328 HydrophobicContact CB-CB 4.37Å; R297-P328 HydrophobicContact CG-CB 4.3Å; P328-V330 PolarHBondContact O-N 3.23Å; P328-V332 WeakPolarHBondContact O-CG1 3.43Å
329	Y	98.7	Very high	98.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-25.4	176.8	-162.4	-107	0	0	0	114.7	H134 S138 L141 F224 R297 L298 Q302 A303 L306 H327	H134-Y329 HydrophobicContact CB-CE2 4.24Å; H134-Y329 AromaticContact ND1-CE2 3.45Å; H134-Y329 WeakPolarHBondContact ND1-CE2 3.46Å; H134-Y329 AromaticContact ND1-CZ 3.56Å; H134-Y329 PolarHBondContact ND1-OH 3.33Å; S138-Y329 WeakPolarHBondContact CB-O 3.36Å; L141-Y329 HydrophobicContact CD2-CD1 4.42Å; F224-Y329 HydrophobicContact CE1-CD1 4.49Å; F224-Y329 HydrophobicContact CE1-CE1 4.39Å; F224-Y329 AromaticContact CE2-CE1 3.98Å; F224-Y329 HydrophobicContact CE2-CE1 3.98Å; F224-Y329 AromaticContact CZ-CD1 3.97Å; F224-Y329 HydrophobicContact CZ-CD1 3.97Å; F224-Y329 AromaticContact CZ-CE1 3.47Å; F224-Y329 HydrophobicContact CZ-CE1 3.47Å; F224-Y329 VanDerWaalsContact CZ-CE1 3.47Å; R297-Y329 WeakPolarHBondContact O-CD2 3.4Å; L298-Y329 HydrophobicContact CD2-CD2 4.22Å; L298-Y329 HydrophobicContact CD2-CE2 4.21Å; Q302-Y329 HydrophobicContact CB-CD2 3.86Å; Q302-Y329 HydrophobicContact CB-CG 4.38Å; A303-Y329 HydrophobicContact CB-CD1 4.48Å; A303-Y329 HydrophobicContact CB-CD2 4.06Å; A303-Y329 HydrophobicContact CB-CE1 4.12Å; A303-Y329 HydrophobicContact CB-CE2 3.66Å; A303-Y329 HydrophobicContact CB-CG 4.46Å; L306-Y329 HydrophobicContact CD2-CD1 4.33Å; H327-Y329 PolarHBondContact ND1-N 2.93Å; H327-Y329 PolarHBondContact O-N 3.21Å; H327-Y329 VanDerWaalsContact O-N 3.08Å
330	V	98.6	Very high	97.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-108	-39.3	-176.7	173.7	0	0	0	0	111.3	L141 Y142 L145 L306 A324 L325 H327 P328 V332 W333	L141-V330 HydrophobicContact CD2-CG2 3.79Å; L141-V330 HydrophobicContact CG-CG2 4.03Å; Y142-V330 HydrophobicContact CD2-CG1 4.07Å; L145-V330 HydrophobicContact CD1-CG1 3.93Å; L145-V330 HydrophobicContact CD1-CG2 4.08Å; L306-V330 HydrophobicContact CD2-CG2 3.53Å; A324-V330 WeakPolarHBondContact O-CB 3.33Å; L325-V330 HydrophobicContact CD2-CG1 4.25Å; H327-V330 PolarHBondContact O-N 3.35Å; P328-V330 PolarHBondContact O-N 3.23Å; V330-V332 PolarHBondContact O-N 3.08Å; V330-W333 PolarHBondContact O-N 3.33Å
331	H	98.3	Very high	97.7	Very high	69 Å²	69	48.9 Å²	48.9	32%	0.319	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-17.5	-174.5	-177.2	-83.6	0	0	0	113.5	Q326 H327 W333 F334	Q326-H331 PolarHBondContact OE1-CD2 2.97Å; Q326-H331 VanDerWaalsContact OE1-CD2 3.24Å; H327-H331 VanDerWaalsContact O-CB 3.31Å; H327-H331 WeakPolarHBondContact O-CB 3.19Å; H327-H331 PolarHBondContact O-N 2.87Å; H331-W333 PolarHBondContact O-N 3.14Å; H331-W333 VanDerWaalsContact O-N 3.12Å; H331-F334 AromaticContact CD2-CG 3.99Å; H331-F334 VanDerWaalsContact O-CB 3.24Å; H331-F334 WeakPolarHBondContact O-CB 3.41Å; H331-F334 PolarHBondContact O-N 3.27Å
332	V	97.8	Very high	97.4	Very high	35 Å²	35	53.8 Å²	53.8	21%	0.212	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.5	173.1	-49.9	0	0	0	0	112.9	R297 L298 P328 V330	R297-V332 HydrophobicContact CB-CG1 3.74Å; R297-V332 HydrophobicContact CG-CG1 4.43Å; R297-V332 VanDerWaalsContact CZ-CG1 3.49Å; L298-V332 HydrophobicContact CD1-CG2 4.38Å; L298-V332 HydrophobicContact CD2-CG1 4.39Å; L298-V332 HydrophobicContact CD2-CG2 3.93Å; L298-V332 HydrophobicContact CG-CG1 4.4Å; L298-V332 HydrophobicContact CG-CG2 4.34Å; P328-V332 WeakPolarHBondContact O-CG1 3.43Å; V330-V332 PolarHBondContact O-N 3.08Å
333	W	98.1	Very high	96.5	Very high	84 Å²	84	53.6 Å²	53.6	32%	0.318	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	3.3	179.5	-55.1	112.4	0	0	0	113.7	E135 S138 Y139 Y142 V330 H331 D335	E135-W333 HydrophobicContact CB-CZ2 4.17Å; E135-W333 HydrophobicContact CG-CZ2 4.49Å; S138-W333 PolarHBondContact OG-NE1 3.42Å; Y139-W333 HydrophobicContact CD2-CB 4.32Å; Y139-W333 AromaticContact CD2-CD2 3.67Å; Y139-W333 HydrophobicContact CD2-CD2 3.67Å; Y139-W333 AromaticContact CD2-CE3 3.86Å; Y139-W333 HydrophobicContact CD2-CE3 3.86Å; Y139-W333 AromaticContact CD2-CG 3.87Å; Y139-W333 HydrophobicContact CD2-CG 3.87Å; Y139-W333 HydrophobicContact CD2-CZ3 4.47Å; Y139-W333 HydrophobicContact CE2-CE3 4.36Å; Y139-W333 HydrophobicContact CG-CD2 4.33Å; Y142-W333 HydrophobicContact CD1-CB 3.63Å; Y142-W333 HydrophobicContact CD1-CG 4.43Å; Y142-W333 HydrophobicContact CD2-CB 3.89Å; Y142-W333 HydrophobicContact CE1-CB 4.08Å; Y142-W333 HydrophobicContact CE2-CB 4.31Å; Y142-W333 WeakPolarHBondContact CE2-O 3.42Å; Y142-W333 HydrophobicContact CG-CB 3.53Å; Y142-W333 HydrophobicContact CG-CG 4.32Å; Y142-W333 PolarHBondContact OH-O 2.87Å; V330-W333 PolarHBondContact O-N 3.33Å; H331-W333 PolarHBondContact O-N 3.14Å; H331-W333 VanDerWaalsContact O-N 3.12Å; W333-D335 PolarHBondContact O-N 3Å; W333-D335 VanDerWaalsContact O-N 3.16Å
334	F	98.2	Very high	95.6	Very high	46 Å²	46	50 Å²	50	20%	0.202	27%	0.268	C	S	.	.			trans	-62	118.7	-169.6	-170.2	-89.7	0	0	0	111.7	H331 E336 V339 Y340	H331-F334 AromaticContact CD2-CG 3.99Å; H331-F334 VanDerWaalsContact O-CB 3.24Å; H331-F334 WeakPolarHBondContact O-CB 3.41Å; H331-F334 PolarHBondContact O-N 3.27Å; F334-E336 HydrophobicContact CD1-CG 4.46Å; F334-E336 HydrophobicContact CE1-CG 3.64Å; F334-E336 HydrophobicContact CZ-CG 4.44Å; F334-V339 HydrophobicContact CD2-CG2 3.92Å; F334-V339 HydrophobicContact CE2-CB 4.09Å; F334-V339 HydrophobicContact CE2-CG1 3.89Å; F334-V339 HydrophobicContact CE2-CG2 3.69Å; F334-V339 HydrophobicContact CZ-CB 4.24Å; F334-V339 HydrophobicContact CZ-CG1 4.13Å; F334-V339 HydrophobicContact CZ-CG2 4.22Å; F334-Y340 HydrophobicContact CE1-CE2 4.5Å; F334-Y340 AromaticContact CZ-CE2 3.87Å; F334-Y340 HydrophobicContact CZ-CE2 3.87Å
335	D	98.1	Very high	94.9	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.374	30%	0.296	S	S	.	.			trans	-123.2	120.1	170.5	-174.2	-43.1	0	0	0	108.9	Y142 W333 A337 E338 V339	Y142-D335 PolarHBondContact OH-N 2.94Å; W333-D335 PolarHBondContact O-N 3Å; W333-D335 VanDerWaalsContact O-N 3.16Å; D335-A337 VanDerWaalsContact C-N 3.29Å; D335-A337 PolarHBondContact O-N 2.98Å; D335-A337 WeakPolarHBondContact OD1-CA 3.47Å; D335-A337 WeakPolarHBondContact OD1-CB 3.43Å; D335-A337 PolarHBondContact OD1-N 2.69Å; D335-E338 HydrophobicContact CB-CB 4.16Å; D335-E338 HydrophobicContact CB-CG 3.85Å; D335-E338 PolarHBondContact O-N 3.08Å; D335-E338 PolarHBondContact OD1-N 2.96Å; D335-V339 WeakPolarHBondContact O-CB 3.43Å; D335-V339 WeakPolarHBondContact O-CG2 3.2Å; D335-V339 PolarHBondContact O-N 3.24Å
336	E	96.8	Very high	94.1	Very high	136 Å²	136	61.8 Å²	61.8	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-59.2	-37.9	-179.4	-75.5	-173	177.2	0	0	113	F334 E338 Y340	F334-E336 HydrophobicContact CD1-CG 4.46Å; F334-E336 HydrophobicContact CE1-CG 3.64Å; F334-E336 HydrophobicContact CZ-CG 4.44Å; E336-E338 VanDerWaalsContact C-N 3.27Å; E336-E338 PolarHBondContact O-N 2.77Å; E336-Y340 HydrophobicContact CB-CD2 4.11Å; E336-Y340 HydrophobicContact CG-CD2 4.25Å; E336-Y340 HydrophobicContact CG-CE2 4.24Å; E336-Y340 WeakPolarHBondContact O-CA 3.33Å; E336-Y340 VanDerWaalsContact O-CB 3.28Å; E336-Y340 WeakPolarHBondContact O-CB 3.16Å; E336-Y340 WeakPolarHBondContact O-CD2 3.31Å; E336-Y340 PolarHBondContact O-N 2.95Å
337	A	96.5	Very high	93.3	Very high	76 Å²	76	58.1 Å²	58.1	63%	0.628	32%	0.315	S	S	*	.	H	α-helix	trans	-68.2	-31.6	-178.4	0	0	0	0	0	111.7	D335 A341	D335-A337 VanDerWaalsContact C-N 3.29Å; D335-A337 PolarHBondContact O-N 2.98Å; D335-A337 WeakPolarHBondContact OD1-CA 3.47Å; D335-A337 WeakPolarHBondContact OD1-CB 3.43Å; D335-A337 PolarHBondContact OD1-N 2.69Å; A337-A341 WeakPolarHBondContact O-CA 3.3Å; A337-A341 WeakPolarHBondContact O-CB 3.33Å; A337-A341 PolarHBondContact O-N 2.65Å
338	E	96.7	Very high	92.6	Very high	47 Å²	47	62.5 Å²	62.5	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-81.1	-48.1	177.1	-57.4	-176.5	164.7	0	0	111.3	H91 K92 Y142 D335 E336 A341	H91-E338 PolarHBondContact NE2-O 2.95Å; K92-E338 HydrophobicContact CD-CG 4.49Å; K92-E338 WeakPolarHBondContact CE-OE1 3.45Å; K92-E338 WeakPolarHBondContact CE-OE2 3.31Å; K92-E338 IonicContact NZ-OE1 3.03Å; K92-E338 PolarHBondContact NZ-OE1 3.07Å; K92-E338 IonicContact NZ-OE2 2.76Å; K92-E338 PolarHBondContact NZ-OE2 2.58Å; Y142-E338 VanDerWaalsContact CE1-OE2 3.25Å; Y142-E338 WeakPolarHBondContact CE1-OE2 3.45Å; Y142-E338 WeakPolarHBondContact OH-CB 3.36Å; Y142-E338 PolarHBondContact OH-OE2 3.31Å; D335-E338 HydrophobicContact CB-CB 4.16Å; D335-E338 HydrophobicContact CB-CG 3.85Å; D335-E338 PolarHBondContact O-N 3.08Å; D335-E338 PolarHBondContact OD1-N 2.96Å; E336-E338 VanDerWaalsContact C-N 3.27Å; E336-E338 PolarHBondContact O-N 2.77Å; E338-A341 PolarHBondContact O-N 2.8Å
339	V	97.3	Very high	91.8	Very high	2 Å²	2	61 Å²	61	1%	0.012	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-44.5	-178.9	170.9	0	0	0	0	110.8	Y142 R149 L325 F334 D335	Y142-V339 HydrophobicContact CE2-CG2 3.96Å; R149-V339 WeakPolarHBondContact CD-O 3.39Å; R149-V339 PolarHBondContact NH1-O 3.45Å; L325-V339 HydrophobicContact CD1-CG1 3.93Å; L325-V339 HydrophobicContact CD1-CG2 4.44Å; L325-V339 HydrophobicContact CD2-CG2 4.3Å; F334-V339 HydrophobicContact CD2-CG2 3.92Å; F334-V339 HydrophobicContact CE2-CB 4.09Å; F334-V339 HydrophobicContact CE2-CG1 3.89Å; F334-V339 HydrophobicContact CE2-CG2 3.69Å; F334-V339 HydrophobicContact CZ-CB 4.24Å; F334-V339 HydrophobicContact CZ-CG1 4.13Å; F334-V339 HydrophobicContact CZ-CG2 4.22Å; D335-V339 WeakPolarHBondContact O-CB 3.43Å; D335-V339 WeakPolarHBondContact O-CG2 3.2Å; D335-V339 PolarHBondContact O-N 3.24Å
340	Y	95.3	Very high	91	Very high	116 Å²	116	64.3 Å²	64.3	46%	0.455	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	22	-177.4	-55.2	-61.7	0	0	0	113.4	R149 F334 E336	R149-Y340 VanDerWaalsContact NH2-CE1 3.32Å; F334-Y340 HydrophobicContact CE1-CE2 4.5Å; F334-Y340 AromaticContact CZ-CE2 3.87Å; F334-Y340 HydrophobicContact CZ-CE2 3.87Å; E336-Y340 HydrophobicContact CB-CD2 4.11Å; E336-Y340 HydrophobicContact CG-CD2 4.25Å; E336-Y340 HydrophobicContact CG-CE2 4.24Å; E336-Y340 WeakPolarHBondContact O-CA 3.33Å; E336-Y340 VanDerWaalsContact O-CB 3.28Å; E336-Y340 WeakPolarHBondContact O-CB 3.16Å; E336-Y340 WeakPolarHBondContact O-CD2 3.31Å; E336-Y340 PolarHBondContact O-N 2.95Å
341	A	94.1	Very high	90.3	Very high	17 Å²	17	65.6 Å²	65.6	14%	0.14	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-47.9	133.8	172.7	0	0	0	0	0	110.5	A337 E338	A337-A341 WeakPolarHBondContact O-CA 3.3Å; A337-A341 WeakPolarHBondContact O-CB 3.33Å; A337-A341 PolarHBondContact O-N 2.65Å; E338-A341 PolarHBondContact O-N 2.8Å
342	P	90.6	Very high	89.4	Confident	113 Å²	113	62.6 Å²	62.6	73%	0.734	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-53	125.4	-172.3	-25.3	31.8	0	0	0	111.2	H150	H150-P342 PolarHBondContact CE1-O 3.36Å
343	P	80.4	Confident	88.6	Confident	71 Å²	71	66.6 Å²	66.6	46%	0.461	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65.7	149.2	178.5	28	-33.6	0	0	0	109.5	A153	A153-P343 HydrophobicContact CB-CB 3.77Å; A153-P343 HydrophobicContact CB-CG 4.39Å
344	P	80.1	Confident	88	Confident	21 Å²	21	67.3 Å²	67.3	14%	0.136	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-66	171	173.6	33.8	-39.3	0	0	0	110.2	L88 V89 H150 A154 K346	L88-P344 HydrophobicContact CB-CB 4.36Å; L88-P344 WeakPolarHBondContact O-CB 3.35Å; V89-P344 HydrophobicContact CG2-CG 4.18Å; H150-P344 WeakPolarHBondContact NE2-CD 3.42Å; A154-P344 HydrophobicContact CB-CG 3.49Å; A154-P344 VanDerWaalsContact CB-CG 3.49Å; P344-K346 PolarHBondContact O-N 2.82Å
345	A	82.5	Confident	87.5	Confident	72 Å²	72	74.5 Å²	74.5	60%	0.595	40%	0.398	S	S	*	.	S	Bend	trans	-52.6	137.2	169	0	0	0	0	0	109.6	L88 Y347	L88-A345 HydrophobicContact CD2-CB 4.16Å; A345-Y347 PolarHBondContact O-N 3.33Å
346	K	82.7	Confident	87.3	Confident	177 Å²	177	72.7 Å²	72.7	77%	0.77	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-56.1	131.2	179.8	-70.7	-172.2	177.6	-175.5	0	109.2	P344 D348	P344-K346 PolarHBondContact O-N 2.82Å; K346-D348 PolarHBondContact O-N 3.46Å
347	Y	81.6	Confident	87.3	Confident	10 Å²	10	68.3 Å²	68.3	4%	0.039	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-66.7	128.5	173.5	178.2	-96.3	0	0	0	109.3	R81 K84 L85 L88 A345 H349 D352	R81-Y347 WeakPolarHBondContact CG-OH 3.38Å; K84-Y347 HydrophobicContact CB-CE2 4.01Å; K84-Y347 HydrophobicContact CG-CD2 4.16Å; K84-Y347 HydrophobicContact CG-CE2 3.65Å; L85-Y347 HydrophobicContact CD2-CD1 4.19Å; L85-Y347 HydrophobicContact CD2-CD2 3.29Å; L85-Y347 HydrophobicContact CD2-CE2 3.78Å; L85-Y347 HydrophobicContact CD2-CG 3.51Å; L85-Y347 HydrophobicContact CG-CD2 4.07Å; L85-Y347 HydrophobicContact CG-CE2 4.09Å; L88-Y347 HydrophobicContact CD1-CD2 3.62Å; L88-Y347 HydrophobicContact CD1-CG 4.31Å; A345-Y347 PolarHBondContact O-N 3.33Å; Y347-H349 HydrophobicContact CD1-CB 4.44Å; Y347-H349 AromaticContact CD1-CD2 3.77Å; Y347-H349 AromaticContact CD1-CE1 3.39Å; Y347-H349 WeakPolarHBondContact CD1-CE1 3.29Å; Y347-H349 AromaticContact CD1-CG 3.62Å; Y347-H349 AromaticContact CD1-ND1 3.4Å; Y347-H349 WeakPolarHBondContact CD1-ND1 3.48Å; Y347-H349 AromaticContact CD1-NE2 3.65Å; Y347-H349 AromaticContact CE1-ND1 3.66Å; Y347-H349 PolarHBondContact O-CD2 3.21Å; Y347-H349 PolarHBondContact O-N 2.92Å; Y347-H349 VanDerWaalsContact O-N 3.11Å; Y347-D352 WeakPolarHBondContact CE1-OD2 3.37Å; Y347-D352 PolarHBondContact OH-OD2 3.25Å
348	D	84	Confident	87.2	Confident	98 Å²	98	65.9 Å²	65.9	52%	0.524	35%	0.349	S	S	.	.			trans	-77.7	96.1	176.7	-178.5	6.6	0	0	0	110	K346 T350 I351	K346-D348 PolarHBondContact O-N 3.46Å; D348-T350 VanDerWaalsContact CG-OG1 3.23Å; D348-T350 PolarHBondContact O-N 3.1Å; D348-T350 VanDerWaalsContact OD1-CB 3.3Å; D348-T350 WeakPolarHBondContact OD1-CB 3.22Å; D348-T350 VanDerWaalsContact OD1-CG2 3.31Å; D348-T350 WeakPolarHBondContact OD1-CG2 3.32Å; D348-T350 PolarHBondContact OD1-N 3.46Å; D348-T350 PolarHBondContact OD1-OG1 3.35Å; D348-T350 PolarHBondContact OD2-OG1 3.43Å; D348-I351 WeakPolarHBondContact O-CG2 3.39Å
349	H	81.1	Confident	87.2	Confident	20 Å²	20	69.8 Å²	69.8	9%	0.093	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.6	-179.9	-64.5	-89.8	0	0	0	113.6	G155 S184 Y347 I351 D352 E353	G155-H349 PolarHBondContact O-CE1 2.86Å; G155-H349 VanDerWaalsContact O-CE1 3.31Å; G155-H349 PolarHBondContact O-NE2 3.39Å; S184-H349 WeakPolarHBondContact CA-CE1 3.41Å; S184-H349 VanDerWaalsContact CB-ND1 3.3Å; S184-H349 WeakPolarHBondContact CB-ND1 3.37Å; S184-H349 PolarHBondContact N-CE1 2.98Å; S184-H349 PolarHBondContact N-ND1 3.04Å; S184-H349 VanDerWaalsContact N-ND1 3.13Å; S184-H349 PolarHBondContact OG-CD2 3.24Å; S184-H349 PolarHBondContact OG-ND1 3.43Å; S184-H349 PolarHBondContact OG-NE2 3.32Å; S184-H349 VanDerWaalsContact OG-NE2 3.15Å; Y347-H349 HydrophobicContact CD1-CB 4.44Å; Y347-H349 AromaticContact CD1-CD2 3.77Å; Y347-H349 AromaticContact CD1-CE1 3.39Å; Y347-H349 WeakPolarHBondContact CD1-CE1 3.29Å; Y347-H349 AromaticContact CD1-CG 3.62Å; Y347-H349 AromaticContact CD1-ND1 3.4Å; Y347-H349 WeakPolarHBondContact CD1-ND1 3.48Å; Y347-H349 AromaticContact CD1-NE2 3.65Å; Y347-H349 AromaticContact CE1-ND1 3.66Å; Y347-H349 PolarHBondContact O-CD2 3.21Å; Y347-H349 PolarHBondContact O-N 2.92Å; Y347-H349 VanDerWaalsContact O-N 3.11Å; H349-I351 PolarHBondContact O-N 3.14Å; H349-D352 WeakPolarHBondContact O-CB 3.4Å; H349-D352 PolarHBondContact O-N 2.84Å; H349-E353 PolarHBondContact O-N 3.27Å
350	T	83.4	Confident	87.2	Confident	71 Å²	71	74 Å²	74	44%	0.436	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-29	179.9	66.8	0	0	0	0	111.7	D348 D352 E353 Q354	D348-T350 VanDerWaalsContact CG-OG1 3.23Å; D348-T350 PolarHBondContact O-N 3.1Å; D348-T350 VanDerWaalsContact OD1-CB 3.3Å; D348-T350 WeakPolarHBondContact OD1-CB 3.22Å; D348-T350 VanDerWaalsContact OD1-CG2 3.31Å; D348-T350 WeakPolarHBondContact OD1-CG2 3.32Å; D348-T350 PolarHBondContact OD1-N 3.46Å; D348-T350 PolarHBondContact OD1-OG1 3.35Å; D348-T350 PolarHBondContact OD2-OG1 3.43Å; T350-D352 PolarHBondContact O-N 3.23Å; T350-E353 PolarHBondContact O-N 3.02Å; T350-E353 VanDerWaalsContact O-N 3.07Å; T350-Q354 WeakPolarHBondContact O-CG 3.32Å; T350-Q354 PolarHBondContact O-N 3.04Å
351	I	83.3	Confident	87.3	Confident	27 Å²	27	68.5 Å²	68.5	14%	0.138	37%	0.365	C	S	.	.	H	α-helix	trans	-63.6	-28.4	174.6	-155.6	160.9	0	0	0	112.1	Y80 D348 H349 E353 W361 L364	Y80-I351 HydrophobicContact CE1-CD1 3.78Å; Y80-I351 HydrophobicContact CE1-CG1 4.44Å; Y80-I351 HydrophobicContact CE1-CG2 4.11Å; Y80-I351 WeakPolarHBondContact OH-CD1 3.36Å; D348-I351 WeakPolarHBondContact O-CG2 3.39Å; H349-I351 PolarHBondContact O-N 3.14Å; I351-E353 VanDerWaalsContact C-N 3.35Å; I351-W361 HydrophobicContact CG1-CH2 4.29Å; I351-W361 HydrophobicContact CG1-CZ3 4.34Å; I351-W361 WeakPolarHBondContact O-CH2 3.34Å; I351-L364 HydrophobicContact CD1-CD1 4.24Å; I351-L364 HydrophobicContact CG1-CD1 4.47Å
352	D	79.2	Confident	87.4	Confident	6 Å²	6	69.1 Å²	69.1	3%	0.032	37%	0.365	C	S	.	.	H	α-helix	trans	-83.3	-13.5	176.5	-66.6	-50.4	0	0	0	113.4	K77 R81 Y347 H349 T350	K77-D352 WeakPolarHBondContact CE-OD1 3.35Å; K77-D352 PolarHBondContact NZ-O 2.87Å; R81-D352 VanDerWaalsContact CZ-CG 3.48Å; R81-D352 IonicContact CZ-OD1 3.8Å; R81-D352 IonicContact CZ-OD2 2.8Å; R81-D352 IonicContact NE-OD1 2.99Å; R81-D352 PolarHBondContact NE-OD1 3.18Å; R81-D352 IonicContact NE-OD2 3.04Å; R81-D352 PolarHBondContact NE-OD2 2.66Å; R81-D352 VanDerWaalsContact NH2-CG 3.26Å; R81-D352 IonicContact NH2-OD1 2.6Å; R81-D352 IonicContact NH2-OD2 3.95Å; R81-D352 PolarHBondContact NH2-OD2 2.95Å; Y347-D352 WeakPolarHBondContact CE1-OD2 3.37Å; Y347-D352 PolarHBondContact OH-OD2 3.25Å; H349-D352 WeakPolarHBondContact O-CB 3.4Å; H349-D352 PolarHBondContact O-N 2.84Å; T350-D352 PolarHBondContact O-N 3.23Å
353	E	80.7	Confident	87.7	Confident	119 Å²	119	69.3 Å²	69.3	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-89.2	-18.1	176.6	-67.1	176.2	177.8	0	0	110.9	N187 H349 T350 I351	N187-E353 PolarHBondContact ND2-OE1 3.16Å; H349-E353 PolarHBondContact O-N 3.27Å; T350-E353 PolarHBondContact O-N 3.02Å; T350-E353 VanDerWaalsContact O-N 3.07Å; I351-E353 VanDerWaalsContact C-N 3.35Å
354	Q	86.5	Confident	88.4	Confident	99 Å²	99	68.3 Å²	68.3	46%	0.463	35%	0.346	S	S	.	.	S	Bend	trans	-72.1	135.9	173.9	-66.5	174	42.5	0	0	111.5	T350 H356	T350-Q354 WeakPolarHBondContact O-CG 3.32Å; T350-Q354 PolarHBondContact O-N 3.04Å; Q354-H356 PolarHBondContact O-N 2.88Å; Q354-H356 PolarHBondContact OE1-CE1 2.85Å; Q354-H356 VanDerWaalsContact OE1-CE1 3.28Å; Q354-H356 PolarHBondContact OE1-NE2 2.83Å
355	E	87.4	Confident	89.2	Confident	197 Å²	197	67.3 Å²	67.3	92%	0.921	34%	0.34	S	S	*	.			trans	-80.8	105.4	168.7	-70.5	-169	163	0	0	109.1
356	H	93.1	Very high	89.8	Confident	31 Å²	31	65.1 Å²	65.1	14%	0.144	32%	0.317	C	S	.	.			trans	-108.9	141.7	173.7	-67.9	-52.3	0	0	0	111.2	V73 Q354 Q360 W361	V73-H356 WeakPolarHBondContact CG1-O 3.42Å; Q354-H356 PolarHBondContact O-N 2.88Å; Q354-H356 PolarHBondContact OE1-CE1 2.85Å; Q354-H356 VanDerWaalsContact OE1-CE1 3.28Å; Q354-H356 PolarHBondContact OE1-NE2 2.83Å; H356-Q360 VanDerWaalsContact CA-OE1 3.26Å; H356-Q360 HydrophobicContact CB-CB 3.92Å; H356-W361 HydrophobicContact CB-CD2 4.11Å; H356-W361 HydrophobicContact CB-CG 4.09Å; H356-W361 HydrophobicContact CB-CZ2 4.24Å; H356-W361 AromaticContact CD2-CE2 3.92Å; H356-W361 AromaticContact CD2-CH2 3.82Å; H356-W361 AromaticContact CD2-CZ2 3.65Å
357	S	96.3	Very high	90.5	Very high	45 Å²	45	62.7 Å²	62.7	32%	0.315	31%	0.306	S	S	.	.			trans	-66.8	169.4	166.9	88.5	0	0	0	0	111	E359 Q360 W361	S357-E359 VanDerWaalsContact C-N 3.26Å; S357-E359 WeakPolarHBondContact CB-OE2 3.46Å; S357-E359 PolarHBondContact O-N 3.45Å; S357-E359 PolarHBondContact OG-N 3.11Å; S357-E359 PolarHBondContact OG-OE2 3.03Å; S357-Q360 PolarHBondContact O-N 3.13Å; S357-Q360 PolarHBondContact OG-N 3.49Å; S357-W361 VanDerWaalsContact O-CD1 3.28Å; S357-W361 PolarHBondContact O-N 3.28Å
358	V	96.1	Very high	91.1	Very high	25 Å²	25	62.8 Å²	62.8	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-41.9	174.7	173.3	0	0	0	0	110.8	F70 V73 W361 K362	F70-V358 HydrophobicContact CB-CG1 3.79Å; F70-V358 WeakPolarHBondContact O-CG1 3.42Å; V73-V358 HydrophobicContact CG2-CG2 3.84Å; V358-W361 PolarHBondContact O-N 3.19Å; V358-K362 VanDerWaalsContact O-CB 3.29Å; V358-K362 WeakPolarHBondContact O-CB 3.32Å; V358-K362 PolarHBondContact O-N 2.82Å
359	E	96.7	Very high	91.6	Very high	129 Å²	129	58.1 Å²	58.1	60%	0.603	28%	0.282	S	S	*	.	H	α-helix	trans	-65.3	-41	-179.5	-61.6	69.3	-151.3	0	0	111.3	S357 K362 E363	S357-E359 VanDerWaalsContact C-N 3.26Å; S357-E359 WeakPolarHBondContact CB-OE2 3.46Å; S357-E359 PolarHBondContact O-N 3.45Å; S357-E359 PolarHBondContact OG-N 3.11Å; S357-E359 PolarHBondContact OG-OE2 3.03Å; E359-K362 WeakPolarHBondContact O-CB 3.49Å; E359-K362 PolarHBondContact O-N 3.29Å; E359-E363 PolarHBondContact O-N 3.28Å
360	Q	96.7	Very high	92.2	Very high	89 Å²	89	59.3 Å²	59.3	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-43.2	175.8	-70.3	174.9	-36.8	0	0	111.6	H356 S357 K362 E363 L364	H356-Q360 VanDerWaalsContact CA-OE1 3.26Å; H356-Q360 HydrophobicContact CB-CB 3.92Å; S357-Q360 PolarHBondContact O-N 3.13Å; S357-Q360 PolarHBondContact OG-N 3.49Å; Q360-K362 VanDerWaalsContact C-N 3.3Å; Q360-K362 PolarHBondContact O-N 3.07Å; Q360-E363 PolarHBondContact O-N 3.32Å; Q360-L364 WeakPolarHBondContact O-CG 3.5Å; Q360-L364 PolarHBondContact O-N 3.18Å
361	W	95.9	Very high	92.7	Very high	2 Å²	2	60 Å²	60	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-39.3	172.6	-81.1	119.4	0	0	0	112.5	A76 K77 Y80 I351 H356 S357 V358 E363 L364 L365	A76-W361 HydrophobicContact CB-CB 3.51Å; A76-W361 HydrophobicContact CB-CG 4.01Å; K77-W361 HydrophobicContact CB-CD2 4.16Å; K77-W361 HydrophobicContact CB-CZ2 3.94Å; K77-W361 HydrophobicContact CD-CH2 4.39Å; K77-W361 HydrophobicContact CD-CZ2 3.7Å; K77-W361 HydrophobicContact CG-CH2 3.99Å; K77-W361 HydrophobicContact CG-CZ2 3.61Å; Y80-W361 HydrophobicContact CD1-CE3 4.08Å; Y80-W361 HydrophobicContact CD1-CH2 4.38Å; Y80-W361 AromaticContact CD1-CZ3 3.45Å; Y80-W361 HydrophobicContact CD1-CZ3 3.45Å; Y80-W361 VanDerWaalsContact CD1-CZ3 3.45Å; Y80-W361 HydrophobicContact CD2-CE3 4.46Å; Y80-W361 HydrophobicContact CD2-CZ3 4.49Å; Y80-W361 HydrophobicContact CE1-CZ3 4.05Å; Y80-W361 AromaticContact CG-CE3 3.84Å; Y80-W361 HydrophobicContact CG-CE3 3.84Å; Y80-W361 AromaticContact CG-CZ3 3.71Å; Y80-W361 HydrophobicContact CG-CZ3 3.71Å; I351-W361 HydrophobicContact CG1-CH2 4.29Å; I351-W361 HydrophobicContact CG1-CZ3 4.34Å; I351-W361 WeakPolarHBondContact O-CH2 3.34Å; H356-W361 HydrophobicContact CB-CD2 4.11Å; H356-W361 HydrophobicContact CB-CG 4.09Å; H356-W361 HydrophobicContact CB-CZ2 4.24Å; H356-W361 AromaticContact CD2-CE2 3.92Å; H356-W361 AromaticContact CD2-CH2 3.82Å; H356-W361 AromaticContact CD2-CZ2 3.65Å; S357-W361 VanDerWaalsContact O-CD1 3.28Å; S357-W361 PolarHBondContact O-N 3.28Å; V358-W361 PolarHBondContact O-N 3.19Å; W361-E363 VanDerWaalsContact C-N 3.34Å; W361-L364 HydrophobicContact CE3-CD1 3.85Å; W361-L364 HydrophobicContact CZ3-CD1 3.93Å; W361-L364 PolarHBondContact O-N 3.44Å; W361-L365 WeakPolarHBondContact O-CB 3.29Å; W361-L365 PolarHBondContact O-N 2.72Å
362	K	97	Very high	93.2	Very high	30 Å²	30	59.2 Å²	59.2	13%	0.13	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-44.1	176.5	-175.1	-175	-174.8	-176	0	111	F70 L107 D108 F110 V358 E359 Q360 L365 F366	F70-K362 HydrophobicContact CD1-CB 3.74Å; F70-K362 HydrophobicContact CD1-CG 3.9Å; F70-K362 HydrophobicContact CD2-CD 4.12Å; F70-K362 HydrophobicContact CD2-CG 4.02Å; F70-K362 HydrophobicContact CE1-CB 3.84Å; F70-K362 HydrophobicContact CE1-CG 3.83Å; F70-K362 HydrophobicContact CE2-CD 4.39Å; F70-K362 HydrophobicContact CE2-CG 3.93Å; F70-K362 HydrophobicContact CG-CB 4.22Å; F70-K362 HydrophobicContact CG-CD 4.23Å; F70-K362 HydrophobicContact CG-CG 4.03Å; F70-K362 HydrophobicContact CZ-CB 4.39Å; F70-K362 HydrophobicContact CZ-CG 3.87Å; L107-K362 HydrophobicContact CD1-CD 4.3Å; L107-K362 HydrophobicContact CD1-CG 3.92Å; L107-K362 WeakPolarHBondContact O-CE 3.45Å; L107-K362 PolarHBondContact O-NZ 2.84Å; D108-K362 PolarHBondContact O-NZ 3.43Å; F110-K362 HydrophobicContact CD1-CG 3.83Å; F110-K362 HydrophobicContact CE1-CG 4.41Å; F110-K362 WeakPolarHBondContact O-CE 3.3Å; F110-K362 PolarHBondContact O-NZ 3.02Å; V358-K362 VanDerWaalsContact O-CB 3.29Å; V358-K362 WeakPolarHBondContact O-CB 3.32Å; V358-K362 PolarHBondContact O-N 2.82Å; E359-K362 WeakPolarHBondContact O-CB 3.49Å; E359-K362 PolarHBondContact O-N 3.29Å; Q360-K362 VanDerWaalsContact C-N 3.3Å; Q360-K362 PolarHBondContact O-N 3.07Å; K362-L365 PolarHBondContact O-N 3.07Å; K362-F366 VanDerWaalsContact O-CB 3.27Å; K362-F366 WeakPolarHBondContact O-CB 3.26Å; K362-F366 PolarHBondContact O-N 2.86Å
363	E	97	Very high	93.8	Very high	117 Å²	117	60.8 Å²	60.8	55%	0.547	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-48	175.9	-174.2	176.6	-174.9	0	0	112	L107 E359 Q360 W361 L365 F366 K367	L107-E363 HydrophobicContact CD1-CB 4.34Å; L107-E363 HydrophobicContact CD2-CB 4.01Å; L107-E363 HydrophobicContact CD2-CG 3.99Å; E359-E363 PolarHBondContact O-N 3.28Å; Q360-E363 PolarHBondContact O-N 3.32Å; W361-E363 VanDerWaalsContact C-N 3.34Å; E363-L365 VanDerWaalsContact C-N 3.35Å; E363-L365 PolarHBondContact O-N 3.49Å; E363-F366 PolarHBondContact O-N 2.87Å; E363-K367 WeakPolarHBondContact O-CB 3.33Å; E363-K367 PolarHBondContact O-N 3.48Å
364	L	96	Very high	94.3	Very high	49 Å²	49	59 Å²	59	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-58.3	-45.8	176.9	-72.5	171.2	0	0	0	112	Y80 I351 Q360 W361 E368	Y80-L364 HydrophobicContact CD2-CB 3.99Å; Y80-L364 HydrophobicContact CE2-CB 3.86Å; I351-L364 HydrophobicContact CD1-CD1 4.24Å; I351-L364 HydrophobicContact CG1-CD1 4.47Å; Q360-L364 WeakPolarHBondContact O-CG 3.5Å; Q360-L364 PolarHBondContact O-N 3.18Å; W361-L364 HydrophobicContact CE3-CD1 3.85Å; W361-L364 HydrophobicContact CZ3-CD1 3.93Å; W361-L364 PolarHBondContact O-N 3.44Å; L364-E368 PolarHBondContact O-N 2.63Å; L364-E368 VanDerWaalsContact O-N 3.07Å
365	L	95.5	Very high	94.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.8	-42.9	178.2	178.5	54.8	0	0	0	111.7	F70 A79 Y80 V83 F110 L113 W361 K362 E363 K367 E368 I369	F70-L365 HydrophobicContact CE1-CD2 3.89Å; F70-L365 HydrophobicContact CZ-CD2 3.92Å; A79-L365 HydrophobicContact CB-CD2 3.81Å; Y80-L365 HydrophobicContact CD2-CB 4.19Å; V83-L365 HydrophobicContact CB-CD1 4.09Å; V83-L365 HydrophobicContact CG1-CD1 4.43Å; V83-L365 HydrophobicContact CG2-CD1 3.89Å; F110-L365 HydrophobicContact CE1-CB 4.34Å; F110-L365 HydrophobicContact CE1-CD2 4.38Å; F110-L365 HydrophobicContact CE1-CG 4.08Å; F110-L365 HydrophobicContact CZ-CD2 4.2Å; F110-L365 HydrophobicContact CZ-CG 4.01Å; L113-L365 HydrophobicContact CD2-CD1 3.98Å; L113-L365 HydrophobicContact CD2-CD2 3.87Å; L113-L365 HydrophobicContact CD2-CG 4.27Å; W361-L365 WeakPolarHBondContact O-CB 3.29Å; W361-L365 PolarHBondContact O-N 2.72Å; K362-L365 PolarHBondContact O-N 3.07Å; E363-L365 VanDerWaalsContact C-N 3.35Å; E363-L365 PolarHBondContact O-N 3.49Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-K367 PolarHBondContact O-N 3.02Å; L365-E368 WeakPolarHBondContact O-CB 3.19Å; L365-E368 PolarHBondContact O-N 2.72Å; L365-I369 HydrophobicContact CD1-CD1 4.48Å; L365-I369 HydrophobicContact CD1-CG1 4.14Å; L365-I369 WeakPolarHBondContact O-CG1 3.45Å; L365-I369 PolarHBondContact O-N 3.4Å; L365-I369 VanDerWaalsContact O-N 3.08Å
366	F	96.6	Very high	94.8	Very high	27 Å²	27	53.6 Å²	53.6	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-45.8	177.6	-172.8	-106.9	0	0	0	111.1	T102 L107 F110 K362 E363 E368 I369 M370	T102-F366 HydrophobicContact CG2-CE2 4.29Å; L107-F366 HydrophobicContact CB-CD1 4.23Å; L107-F366 HydrophobicContact CB-CE1 4.48Å; L107-F366 HydrophobicContact CD1-CB 3.71Å; L107-F366 HydrophobicContact CD1-CD1 4.27Å; L107-F366 HydrophobicContact CD1-CG 4.02Å; F110-F366 HydrophobicContact CB-CD2 3.74Å; F110-F366 HydrophobicContact CB-CE2 4.09Å; F110-F366 HydrophobicContact CD1-CB 3.65Å; F110-F366 AromaticContact CD1-CD2 3.58Å; F110-F366 HydrophobicContact CD1-CD2 3.58Å; F110-F366 HydrophobicContact CD1-CG 4.03Å; F110-F366 HydrophobicContact CD2-CD2 4.05Å; F110-F366 HydrophobicContact CE1-CB 3.77Å; F110-F366 HydrophobicContact CE1-CD2 4.08Å; F110-F366 HydrophobicContact CE1-CG 4.44Å; F110-F366 HydrophobicContact CG-CB 4.48Å; F110-F366 AromaticContact CG-CD2 3.54Å; F110-F366 HydrophobicContact CG-CD2 3.54Å; F110-F366 HydrophobicContact CG-CE2 4.24Å; F110-F366 HydrophobicContact CG-CG 4.4Å; K362-F366 VanDerWaalsContact O-CB 3.27Å; K362-F366 WeakPolarHBondContact O-CB 3.26Å; K362-F366 PolarHBondContact O-N 2.86Å; E363-F366 PolarHBondContact O-N 2.87Å; F366-E368 VanDerWaalsContact C-N 3.34Å; F366-E368 PolarHBondContact O-N 2.92Å; F366-I369 PolarHBondContact O-N 2.84Å; F366-M370 HydrophobicContact CD1-CG 3.96Å; F366-M370 HydrophobicContact CE1-CG 3.59Å; F366-M370 HydrophobicContact CE1-SD 4.13Å; F366-M370 HydrophobicContact CE2-CE 3.97Å; F366-M370 HydrophobicContact CE2-CG 4.23Å; F366-M370 HydrophobicContact CE2-SD 4.15Å; F366-M370 HydrophobicContact CG-CG 4.42Å; F366-M370 HydrophobicContact CZ-CE 4.14Å; F366-M370 HydrophobicContact CZ-CG 3.74Å; F366-M370 HydrophobicContact CZ-SD 3.68Å; F366-M370 VanDerWaalsContact O-CG 3.32Å; F366-M370 WeakPolarHBondContact O-CG 3.4Å; F366-M370 PolarHBondContact O-N 2.79Å
367	K	95.7	Very high	94.6	Very high	125 Å²	125	54.3 Å²	54.3	54%	0.543	28%	0.282	S	S	.	.	H	α-helix	trans	-57	-46.6	175.2	-178.7	177.8	172.7	-179.5	0	111.7	E363 L365 I369 M370 E371	E363-K367 WeakPolarHBondContact O-CB 3.33Å; E363-K367 PolarHBondContact O-N 3.48Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-K367 PolarHBondContact O-N 3.02Å; K367-I369 VanDerWaalsContact C-N 3.28Å; K367-I369 PolarHBondContact O-N 3.17Å; K367-M370 PolarHBondContact O-N 3.5Å; K367-E371 WeakPolarHBondContact CE-OE1 3.47Å; K367-E371 HydrophobicContact CG-CG 4.46Å; K367-E371 IonicContact NZ-OE1 3.73Å; K367-E371 WeakPolarHBondContact O-CB 3.16Å; K367-E371 WeakPolarHBondContact O-CG 3.36Å; K367-E371 PolarHBondContact O-N 2.86Å
368	E	94.2	Very high	94.4	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-37.3	179.5	-164.9	70.9	-153	0	0	112.8	V83 K84 K87 L364 L365 F366 Y372	V83-E368 HydrophobicContact CG1-CG 4.12Å; K84-E368 VanDerWaalsContact CD-CD 3.49Å; K84-E368 HydrophobicContact CD-CG 4.32Å; K84-E368 WeakPolarHBondContact CD-OE1 3.28Å; K84-E368 WeakPolarHBondContact CD-OE2 3.38Å; K84-E368 IonicContact NZ-OE1 3.43Å; K84-E368 PolarHBondContact NZ-OE1 3.25Å; K84-E368 IonicContact NZ-OE2 2.84Å; K84-E368 PolarHBondContact NZ-OE2 3.11Å; K87-E368 HydrophobicContact CD-CG 4.05Å; K87-E368 WeakPolarHBondContact CD-OE1 3.19Å; K87-E368 VanDerWaalsContact CE-OE1 3.28Å; K87-E368 WeakPolarHBondContact CE-OE1 3.4Å; K87-E368 PolarHBondContact NZ-O 3.42Å; K87-E368 IonicContact NZ-OE1 3.61Å; K87-E368 PolarHBondContact NZ-OE1 3.34Å; L364-E368 PolarHBondContact O-N 2.63Å; L364-E368 VanDerWaalsContact O-N 3.07Å; L365-E368 WeakPolarHBondContact O-CB 3.19Å; L365-E368 PolarHBondContact O-N 2.72Å; F366-E368 VanDerWaalsContact C-N 3.34Å; F366-E368 PolarHBondContact O-N 2.92Å; E368-Y372 WeakPolarHBondContact O-CB 3.42Å; E368-Y372 PolarHBondContact O-N 3.28Å
369	I	95.4	Very high	94.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-74.7	-41.2	177.9	-62.2	-62.3	0	0	0	111.5	V83 A100 T102 L113 L365 F366 K367 E371 Y372 E373	V83-I369 HydrophobicContact CG1-CD1 3.89Å; V83-I369 HydrophobicContact CG2-CD1 4.32Å; A100-I369 HydrophobicContact CB-CD1 3.89Å; T102-I369 HydrophobicContact CG2-CG2 4.02Å; L113-I369 HydrophobicContact CD1-CD1 3.47Å; L113-I369 VanDerWaalsContact CD1-CD1 3.47Å; L113-I369 HydrophobicContact CD1-CG1 3.84Å; L113-I369 HydrophobicContact CD2-CD1 4.45Å; L365-I369 HydrophobicContact CD1-CD1 4.48Å; L365-I369 HydrophobicContact CD1-CG1 4.14Å; L365-I369 WeakPolarHBondContact O-CG1 3.45Å; L365-I369 PolarHBondContact O-N 3.4Å; L365-I369 VanDerWaalsContact O-N 3.08Å; F366-I369 PolarHBondContact O-N 2.84Å; K367-I369 VanDerWaalsContact C-N 3.28Å; K367-I369 PolarHBondContact O-N 3.17Å; I369-E371 VanDerWaalsContact C-N 3.35Å; I369-Y372 WeakPolarHBondContact O-CB 3.46Å; I369-Y372 PolarHBondContact O-N 2.9Å; I369-E373 WeakPolarHBondContact O-CB 2.97Å; I369-E373 PolarHBondContact O-N 3.14Å
370	M	94.1	Very high	93.4	Very high	46 Å²	46	47.8 Å²	47.8	23%	0.227	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-38.5	175.8	-65.5	-61.8	96.8	0	0	111.8	T102 F366 K367 Y372 E373 A374	T102-M370 HydrophobicContact CG2-CE 3.73Å; F366-M370 HydrophobicContact CD1-CG 3.96Å; F366-M370 HydrophobicContact CE1-CG 3.59Å; F366-M370 HydrophobicContact CE1-SD 4.13Å; F366-M370 HydrophobicContact CE2-CE 3.97Å; F366-M370 HydrophobicContact CE2-CG 4.23Å; F366-M370 HydrophobicContact CE2-SD 4.15Å; F366-M370 HydrophobicContact CG-CG 4.42Å; F366-M370 HydrophobicContact CZ-CE 4.14Å; F366-M370 HydrophobicContact CZ-CG 3.74Å; F366-M370 HydrophobicContact CZ-SD 3.68Å; F366-M370 VanDerWaalsContact O-CG 3.32Å; F366-M370 WeakPolarHBondContact O-CG 3.4Å; F366-M370 PolarHBondContact O-N 2.79Å; K367-M370 PolarHBondContact O-N 3.5Å; M370-Y372 VanDerWaalsContact C-N 3.35Å; M370-E373 WeakPolarHBondContact CE-OE2 3.48Å; M370-E373 PolarHBondContact O-N 3.23Å; M370-A374 WeakPolarHBondContact O-CB 3.28Å; M370-A374 PolarHBondContact O-N 3.22Å
371	E	94	Very high	92.4	Very high	85 Å²	85	47.8 Å²	47.8	40%	0.397	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-39.4	172.5	-74.7	175.8	-176.5	0	0	111.8	K367 I369 A374 T375	K367-E371 WeakPolarHBondContact CE-OE1 3.47Å; K367-E371 HydrophobicContact CG-CG 4.46Å; K367-E371 IonicContact NZ-OE1 3.73Å; K367-E371 WeakPolarHBondContact O-CB 3.16Å; K367-E371 WeakPolarHBondContact O-CG 3.36Å; K367-E371 PolarHBondContact O-N 2.86Å; I369-E371 VanDerWaalsContact C-N 3.35Å; E371-A374 PolarHBondContact O-N 3.49Å; E371-T375 WeakPolarHBondContact O-CG2 3.49Å; E371-T375 PolarHBondContact O-N 3.28Å; E371-T375 PolarHBondContact O-OG1 3.13Å
372	Y	93.7	Very high	90.6	Very high	11 Å²	11	54 Å²	54	4%	0.043	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-48	173.5	-173.3	-90.8	0	0	0	110.9	K87 L97 L98 N99 A100 E368 I369 M370 A374 T375 H376 V378	K87-Y372 HydrophobicContact CD-CD2 4.02Å; K87-Y372 HydrophobicContact CG-CD2 4.2Å; K87-Y372 HydrophobicContact CG-CE2 4.48Å; L97-Y372 HydrophobicContact CD2-CD2 4.42Å; L97-Y372 HydrophobicContact CD2-CE2 3.81Å; L98-Y372 PolarHBondContact O-OH 3.34Å; N99-Y372 WeakPolarHBondContact CA-OH 3.42Å; A100-Y372 HydrophobicContact CB-CD1 4.09Å; A100-Y372 HydrophobicContact CB-CE1 4.15Å; A100-Y372 VanDerWaalsContact N-CE1 3.31Å; E368-Y372 WeakPolarHBondContact O-CB 3.42Å; E368-Y372 PolarHBondContact O-N 3.28Å; I369-Y372 WeakPolarHBondContact O-CB 3.46Å; I369-Y372 PolarHBondContact O-N 2.9Å; M370-Y372 VanDerWaalsContact C-N 3.35Å; Y372-A374 VanDerWaalsContact C-N 3.29Å; Y372-A374 PolarHBondContact O-N 3.07Å; Y372-T375 PolarHBondContact O-N 3.46Å; Y372-T375 VanDerWaalsContact O-N 3.11Å; Y372-T375 PolarHBondContact O-OG1 3.37Å; Y372-H376 HydrophobicContact CD1-CB 4.37Å; Y372-H376 AromaticContact CD2-CE1 3.75Å; Y372-H376 AromaticContact CD2-ND1 3.67Å; Y372-H376 HydrophobicContact CE1-CB 4.01Å; Y372-H376 AromaticContact CE2-CD2 3.82Å; Y372-H376 AromaticContact CE2-CE1 3.69Å; Y372-H376 AromaticContact CE2-CG 3.85Å; Y372-H376 AromaticContact CE2-ND1 3.74Å; Y372-H376 AromaticContact CE2-NE2 3.72Å; Y372-H376 AromaticContact CG-ND1 3.99Å; Y372-H376 AromaticContact CZ-CD2 3.84Å; Y372-H376 AromaticContact CZ-CG 3.78Å; Y372-H376 WeakPolarHBondContact O-CB 3.4Å; Y372-H376 PolarHBondContact O-N 2.89Å; Y372-H376 PolarHBondContact O-ND1 3.18Å; Y372-H376 VanDerWaalsContact O-ND1 3.07Å; Y372-V378 HydrophobicContact CD1-CG2 4.15Å; Y372-V378 HydrophobicContact CE1-CG2 4.22Å
373	E	91.7	Very high	88	Confident	38 Å²	38	62.3 Å²	62.3	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-36.5	177.5	-168.6	-172.2	150.9	0	0	112.8	K105 I369 M370 T375 H376 V378 Y379	K105-E373 VanDerWaalsContact NZ-CD 3.26Å; K105-E373 IonicContact NZ-OE1 2.8Å; K105-E373 PolarHBondContact NZ-OE1 3.14Å; K105-E373 IonicContact NZ-OE2 3.81Å; K105-E373 PolarHBondContact NZ-OE2 3.01Å; I369-E373 WeakPolarHBondContact O-CB 2.97Å; I369-E373 PolarHBondContact O-N 3.14Å; M370-E373 WeakPolarHBondContact CE-OE2 3.48Å; M370-E373 PolarHBondContact O-N 3.23Å; E373-T375 VanDerWaalsContact C-N 3.3Å; E373-T375 PolarHBondContact O-N 3.34Å; E373-H376 VanDerWaalsContact O-O 3.08Å; E373-V378 HydrophobicContact CB-CG2 4.13Å; E373-V378 HydrophobicContact CG-CB 4.27Å; E373-V378 HydrophobicContact CG-CG2 4Å; E373-Y379 HydrophobicContact CG-CE2 3.99Å; E373-Y379 VanDerWaalsContact OE1-CE2 3.26Å; E373-Y379 WeakPolarHBondContact OE1-CE2 3.31Å; E373-Y379 VanDerWaalsContact OE1-CZ 3.3Å; E373-Y379 PolarHBondContact OE1-OH 3.11Å
374	A	91.1	Very high	87.6	Confident	83 Å²	83	59.6 Å²	59.6	69%	0.686	33%	0.329	S	S	*	.	H	α-helix	trans	-72.4	-21.3	178.1	0	0	0	0	0	113.9	M370 E371 Y372	M370-A374 WeakPolarHBondContact O-CB 3.28Å; M370-A374 PolarHBondContact O-N 3.22Å; E371-A374 PolarHBondContact O-N 3.49Å; Y372-A374 VanDerWaalsContact C-N 3.29Å; Y372-A374 PolarHBondContact O-N 3.07Å
375	T	91.5	Very high	87.1	Confident	100 Å²	100	60.2 Å²	60.2	61%	0.613	33%	0.333	S	S	*	.	H	α-helix	trans	-110.4	-7.8	-173.9	51.2	0	0	0	0	113.8	E371 Y372 E373	E371-T375 WeakPolarHBondContact O-CG2 3.49Å; E371-T375 PolarHBondContact O-N 3.28Å; E371-T375 PolarHBondContact O-OG1 3.13Å; Y372-T375 PolarHBondContact O-N 3.46Å; Y372-T375 VanDerWaalsContact O-N 3.11Å; Y372-T375 PolarHBondContact O-OG1 3.37Å; E373-T375 VanDerWaalsContact C-N 3.3Å; E373-T375 PolarHBondContact O-N 3.34Å
376	H	91.8	Very high	86.7	Confident	82 Å²	82	63.5 Å²	63.5	38%	0.38	35%	0.351	S	S	.	.	S	Bend	trans	-132.3	146	-176.9	-61.5	72.5	0	0	0	110.3	Y372 E373 V378	Y372-H376 HydrophobicContact CD1-CB 4.37Å; Y372-H376 AromaticContact CD2-CE1 3.75Å; Y372-H376 AromaticContact CD2-ND1 3.67Å; Y372-H376 HydrophobicContact CE1-CB 4.01Å; Y372-H376 AromaticContact CE2-CD2 3.82Å; Y372-H376 AromaticContact CE2-CE1 3.69Å; Y372-H376 AromaticContact CE2-CG 3.85Å; Y372-H376 AromaticContact CE2-ND1 3.74Å; Y372-H376 AromaticContact CE2-NE2 3.72Å; Y372-H376 AromaticContact CG-ND1 3.99Å; Y372-H376 AromaticContact CZ-CD2 3.84Å; Y372-H376 AromaticContact CZ-CG 3.78Å; Y372-H376 WeakPolarHBondContact O-CB 3.4Å; Y372-H376 PolarHBondContact O-N 2.89Å; Y372-H376 PolarHBondContact O-ND1 3.18Å; Y372-H376 VanDerWaalsContact O-ND1 3.07Å; E373-H376 VanDerWaalsContact O-O 3.08Å; H376-V378 PolarHBondContact O-N 3.03Å
377	D	90.7	Very high	86.1	Confident	46 Å²	46	65.6 Å²	65.6	25%	0.246	37%	0.365	C	S	.	.			trans	-76.6	77.1	173.4	-174.5	18.2	0	0	0	111.6	R34 Y379 G380 T381 M382	R34-D377 PolarHBondContact NH1-O 3.24Å; D377-Y379 PolarHBondContact O-N 3.21Å; D377-G380 WeakPolarHBondContact OD1-CA 3.37Å; D377-G380 PolarHBondContact OD1-N 3.33Å; D377-G380 WeakPolarHBondContact OD2-CA 3.35Å; D377-G380 PolarHBondContact OD2-N 3.12Å; D377-T381 VanDerWaalsContact CG-N 3.34Å; D377-T381 PolarHBondContact OD1-N 3.41Å; D377-T381 PolarHBondContact OD1-OG1 3.49Å; D377-T381 PolarHBondContact OD2-N 3.04Å; D377-M382 HydrophobicContact CB-CB 4Å; D377-M382 HydrophobicContact CB-CE 4.25Å; D377-M382 HydrophobicContact CB-CG 3.84Å; D377-M382 HydrophobicContact CB-SD 4.1Å; D377-M382 WeakPolarHBondContact OD2-CB 3.28Å; D377-M382 PolarHBondContact OD2-N 2.91Å
378	V	91.8	Very high	85.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-60.4	-37.4	-179.9	171.8	0	0	0	0	111.3	L32 R34 N99 F101 Y372 E373 H376	L32-V378 HydrophobicContact CD1-CG1 3.65Å; L32-V378 WeakPolarHBondContact CD1-O 3.49Å; R34-V378 WeakPolarHBondContact CD-O 3.4Å; R34-V378 PolarHBondContact NH1-O 2.85Å; N99-V378 PolarHBondContact ND2-O 3.47Å; N99-V378 WeakPolarHBondContact OD1-CG2 3.5Å; F101-V378 HydrophobicContact CB-CG1 3.79Å; Y372-V378 HydrophobicContact CD1-CG2 4.15Å; Y372-V378 HydrophobicContact CE1-CG2 4.22Å; E373-V378 HydrophobicContact CB-CG2 4.13Å; E373-V378 HydrophobicContact CG-CB 4.27Å; E373-V378 HydrophobicContact CG-CG2 4Å; H376-V378 PolarHBondContact O-N 3.03Å
379	Y	90.2	Very high	84.9	Confident	39 Å²	39	65.3 Å²	65.3	15%	0.153	37%	0.374	C	S	.	.	S	Bend	trans	-88.5	-23	-172.1	-58.2	-80.4	0	0	0	113.7	H15 Q18 F19 L32 K105 E373 D377	H15-Y379 AromaticContact CE1-CE1 4Å; H15-Y379 AromaticContact CE1-CZ 3.87Å; H15-Y379 PolarHBondContact CE1-OH 3Å; H15-Y379 AromaticContact ND1-CE1 3.76Å; H15-Y379 AromaticContact ND1-CZ 3.65Å; H15-Y379 PolarHBondContact ND1-OH 2.85Å; Q18-Y379 HydrophobicContact CB-CD1 3.76Å; Q18-Y379 HydrophobicContact CB-CE1 3.99Å; Q18-Y379 HydrophobicContact CG-CD1 3.71Å; Q18-Y379 HydrophobicContact CG-CE1 4.06Å; F19-Y379 HydrophobicContact CE2-CE1 4.18Å; F19-Y379 HydrophobicContact CZ-CE1 4.39Å; L32-Y379 HydrophobicContact CD2-CD1 3.49Å; L32-Y379 VanDerWaalsContact CD2-CD1 3.49Å; L32-Y379 HydrophobicContact CD2-CE1 3.58Å; K105-Y379 PolarHBondContact NZ-OH 2.94Å; E373-Y379 HydrophobicContact CG-CE2 3.99Å; E373-Y379 VanDerWaalsContact OE1-CE2 3.26Å; E373-Y379 WeakPolarHBondContact OE1-CE2 3.31Å; E373-Y379 VanDerWaalsContact OE1-CZ 3.3Å; E373-Y379 PolarHBondContact OE1-OH 3.11Å; D377-Y379 PolarHBondContact O-N 3.21Å
380	G	81.9	Confident	84.1	Confident	22 Å²	22	69.9 Å²	69.9	23%	0.227	40%	0.4	C	S	.	.	S	Bend	trans	80.8	34.5	-170.4	0	0	0	0	0	112.2	D377	D377-G380 WeakPolarHBondContact OD1-CA 3.37Å; D377-G380 PolarHBondContact OD1-N 3.33Å; D377-G380 WeakPolarHBondContact OD2-CA 3.35Å; D377-G380 PolarHBondContact OD2-N 3.12Å
381	T	74.4	Confident	83.4	Confident	89 Å²	89	71.8 Å²	71.8	55%	0.546	41%	0.414	S	S	.	.			trans	-105.4	-8.7	-176.3	51.9	0	0	0	0	113.4	D377 T383	D377-T381 VanDerWaalsContact CG-N 3.34Å; D377-T381 PolarHBondContact OD1-N 3.41Å; D377-T381 PolarHBondContact OD1-OG1 3.49Å; D377-T381 PolarHBondContact OD2-N 3.04Å; T381-T383 PolarHBondContact O-N 2.76Å
382	M	58	Low	82.5	Confident	134 Å²	134	70.7 Å²	70.7	66%	0.66	42%	0.415	S	S	*	.			trans	-87.3	86	173.8	-61	-165.7	-159.5	0	0	109.1	D377	D377-M382 HydrophobicContact CB-CB 4Å; D377-M382 HydrophobicContact CB-CE 4.25Å; D377-M382 HydrophobicContact CB-CG 3.84Å; D377-M382 HydrophobicContact CB-SD 4.1Å; D377-M382 WeakPolarHBondContact OD2-CB 3.28Å; D377-M382 PolarHBondContact OD2-N 2.91Å
383	T	43	Very low	81.5	Confident	204 Å²	204	76.1 Å²	76.1	100%	1.252	45%	0.449	S	S	*	.			trans	-96.3	0	163.3	50.5	0	0	0	0	111.2	T381	T381-T383 PolarHBondContact O-N 2.76Å

Retrieved 383 of 383 residues in 121.1 ms (Link to these results)

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