A0A3Q0KMA6_SCHMA Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KMA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 598 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	38.5	Very low	42.8	Very low	172 Å²	172	116.8 Å²	116.8	85%	0.847	56%	0.561	S	S	*	*				0	-85.8	0	-69.9	-86.6	-95.4	0	0	113	E4 L5	M1-E4 PolarHBondContact N-OE2 3.31Å; M1-E4 PolarHBondContact O-N 3.22Å; M1-L5 PolarHBondContact O-N 3.45Å
2	R	35.1	Very low	43.4	Very low	187 Å²	187	116 Å²	116	71%	0.706	56%	0.562	S	S	*	*	H	α-helix	trans	-66	-41.5	-174.8	-78.5	-174	-179.3	177.3	0.5	114.3	L5 F6	R2-L5 PolarHBondContact O-N 3.03Å; R2-F6 PolarHBondContact O-N 3.24Å
3	T	41.7	Very low	43.7	Very low	102 Å²	102	111.8 Å²	111.8	63%	0.626	55%	0.548	S	S	*	.	H	α-helix	trans	-64.8	-40.7	175.1	31.1	0	0	0	0	112.6	F6 Q7	T3-F6 PolarHBondContact O-N 2.95Å; T3-Q7 WeakPolarHBondContact O-CB 3.39Å; T3-Q7 PolarHBondContact O-N 3.33Å
4	E	41.4	Very low	43.9	Very low	116 Å²	116	108.4 Å²	108.4	54%	0.542	53%	0.532	S	S	.	.	H	α-helix	trans	-67	-41	175.5	-76.4	169.5	127.4	0	0	112.6	M1 F6 Q7 K8	M1-E4 PolarHBondContact N-OE2 3.31Å; M1-E4 PolarHBondContact O-N 3.22Å; E4-F6 VanDerWaalsContact C-N 3.34Å; E4-Q7 PolarHBondContact O-N 3.26Å; E4-K8 WeakPolarHBondContact O-CB 3.33Å; E4-K8 WeakPolarHBondContact O-CG 3.35Å; E4-K8 PolarHBondContact O-N 3.33Å
5	L	42.2	Very low	44.1	Very low	113 Å²	113	108.1 Å²	108.1	59%	0.592	53%	0.532	S	S	*	.	H	α-helix	trans	-61.4	-44.3	174.9	-97.3	152.7	0	0	0	110.8	M1 R2 K8 T9	M1-L5 PolarHBondContact O-N 3.45Å; R2-L5 PolarHBondContact O-N 3.03Å; L5-K8 PolarHBondContact O-N 3.45Å; L5-T9 PolarHBondContact O-N 3.32Å; L5-T9 PolarHBondContact O-OG1 3.5Å
6	F	45	Very low	44.2	Very low	67 Å²	67	105.9 Å²	105.9	29%	0.294	53%	0.531	S	S	.	.	H	α-helix	trans	-63.4	-46.7	175.8	-177.4	-96.5	0	0	0	112.1	R2 T3 E4 K8 T9 L10 L76 W82	R2-F6 PolarHBondContact O-N 3.24Å; T3-F6 PolarHBondContact O-N 2.95Å; E4-F6 VanDerWaalsContact C-N 3.34Å; F6-K8 VanDerWaalsContact C-N 3.32Å; F6-K8 PolarHBondContact O-N 3.37Å; F6-T9 PolarHBondContact O-N 3.27Å; F6-L10 HydrophobicContact CE1-CD2 4.47Å; F6-L10 HydrophobicContact CZ-CD1 4.49Å; F6-L10 VanDerWaalsContact O-CB 3.3Å; F6-L10 WeakPolarHBondContact O-CB 3.45Å; F6-L10 PolarHBondContact O-N 3.21Å; F6-L76 HydrophobicContact CE1-CD2 4.04Å; F6-W82 AromaticContact CD1-CH2 3.99Å; F6-W82 HydrophobicContact CD1-CH2 3.99Å; F6-W82 HydrophobicContact CD1-CZ3 4.22Å; F6-W82 HydrophobicContact CD2-CZ3 4.47Å; F6-W82 AromaticContact CE1-CH2 3.72Å; F6-W82 HydrophobicContact CE1-CH2 3.72Å; F6-W82 HydrophobicContact CE1-CZ3 4.32Å; F6-W82 HydrophobicContact CE2-CH2 4.47Å; F6-W82 HydrophobicContact CG-CH2 4.49Å; F6-W82 HydrophobicContact CG-CZ3 4.31Å; F6-W82 AromaticContact CZ-CH2 3.98Å; F6-W82 HydrophobicContact CZ-CH2 3.98Å; F6-W82 HydrophobicContact CZ-CZ3 4.49Å
7	Q	43.5	Very low	44.3	Very low	128 Å²	128	103.8 Å²	103.8	60%	0.598	52%	0.522	S	S	*	.	H	α-helix	trans	-58.8	-42.5	175.8	-88.3	-177.4	-31.3	0	0	112.1	T3 E4 L10 Q11	T3-Q7 WeakPolarHBondContact O-CB 3.39Å; T3-Q7 PolarHBondContact O-N 3.33Å; E4-Q7 PolarHBondContact O-N 3.26Å; Q7-L10 PolarHBondContact O-N 3.08Å; Q7-Q11 WeakPolarHBondContact O-CB 3.48Å; Q7-Q11 PolarHBondContact O-N 3.35Å
8	K	46.2	Very low	44.3	Very low	140 Å²	140	104.7 Å²	104.7	61%	0.609	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-46.6	175.9	-80.2	-176.7	176.8	-178.2	0	112.1	E4 L5 F6 L10 Q11 N12	E4-K8 WeakPolarHBondContact O-CB 3.33Å; E4-K8 WeakPolarHBondContact O-CG 3.35Å; E4-K8 PolarHBondContact O-N 3.33Å; L5-K8 PolarHBondContact O-N 3.45Å; F6-K8 VanDerWaalsContact C-N 3.32Å; F6-K8 PolarHBondContact O-N 3.37Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 2.93Å; K8-Q11 PolarHBondContact O-N 2.89Å; K8-N12 WeakPolarHBondContact O-CB 3.47Å; K8-N12 VanDerWaalsContact O-CG 3.23Å; K8-N12 PolarHBondContact O-N 3.19Å; K8-N12 PolarHBondContact O-ND2 3.36Å
9	T	44.6	Very low	44.5	Very low	81 Å²	81	103.6 Å²	103.6	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-60.5	-40.7	176.9	-53.4	0	0	0	0	110.8	L5 F6 N12 V13	L5-T9 PolarHBondContact O-N 3.32Å; L5-T9 PolarHBondContact O-OG1 3.5Å; F6-T9 PolarHBondContact O-N 3.27Å; T9-N12 PolarHBondContact O-N 2.9Å; T9-V13 WeakPolarHBondContact O-CG2 3.38Å; T9-V13 PolarHBondContact O-N 2.88Å
10	L	46.7	Very low	44.5	Very low	43 Å²	43	106.6 Å²	106.6	23%	0.225	52%	0.522	C	S	.	.	H	α-helix	trans	-66.7	-45.5	178.3	-167.4	77.7	0	0	0	112.4	F6 Q7 K8 N12 V13 I14 L72	F6-L10 HydrophobicContact CE1-CD2 4.47Å; F6-L10 HydrophobicContact CZ-CD1 4.49Å; F6-L10 VanDerWaalsContact O-CB 3.3Å; F6-L10 WeakPolarHBondContact O-CB 3.45Å; F6-L10 PolarHBondContact O-N 3.21Å; Q7-L10 PolarHBondContact O-N 3.08Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 2.93Å; L10-N12 VanDerWaalsContact C-N 3.26Å; L10-N12 PolarHBondContact O-N 3.06Å; L10-V13 PolarHBondContact O-N 2.77Å; L10-I14 HydrophobicContact CG-CD1 4.34Å; L10-I14 WeakPolarHBondContact O-CG1 3.44Å; L10-I14 PolarHBondContact O-N 3.04Å; L10-L72 HydrophobicContact CD1-CD1 3.52Å; L10-L72 HydrophobicContact CD2-CD1 3.86Å; L10-L72 HydrophobicContact CD2-CD2 4.12Å; L10-L72 HydrophobicContact CD2-CG 4.47Å; L10-L72 HydrophobicContact CG-CD1 4.14Å
11	Q	46.2	Very low	44.4	Very low	136 Å²	136	104.3 Å²	104.3	64%	0.636	51%	0.514	S	S	*	.	H	α-helix	trans	-56.7	-42.5	173.2	-107.4	179.9	-17.6	0	0	111.2	Q7 K8 I14 L15	Q7-Q11 WeakPolarHBondContact O-CB 3.48Å; Q7-Q11 PolarHBondContact O-N 3.35Å; K8-Q11 PolarHBondContact O-N 2.89Å; Q11-I14 PolarHBondContact O-N 3.47Å; Q11-L15 WeakPolarHBondContact O-CB 3.37Å; Q11-L15 PolarHBondContact O-N 3.43Å
12	N	49.5	Very low	44.6	Very low	107 Å²	107	98.8 Å²	98.8	57%	0.572	49%	0.487	S	S	*	.	H	α-helix	trans	-64.9	-39.3	178.6	-71.8	-14.7	0	0	0	112.6	K8 T9 L10 L15 S16	K8-N12 WeakPolarHBondContact O-CB 3.47Å; K8-N12 VanDerWaalsContact O-CG 3.23Å; K8-N12 PolarHBondContact O-N 3.19Å; K8-N12 PolarHBondContact O-ND2 3.36Å; T9-N12 PolarHBondContact O-N 2.9Å; L10-N12 VanDerWaalsContact C-N 3.26Å; L10-N12 PolarHBondContact O-N 3.06Å; N12-L15 PolarHBondContact O-N 3.17Å; N12-S16 VanDerWaalsContact O-CB 3.25Å; N12-S16 WeakPolarHBondContact O-CB 3.37Å; N12-S16 PolarHBondContact O-N 2.93Å
13	V	46.9	Very low	44.9	Very low	62 Å²	62	93.8 Å²	93.8	38%	0.376	48%	0.477	S	S	.	.	H	α-helix	trans	-65.5	-43.3	175.9	171.6	0	0	0	0	111	T9 L10 S16 N17	T9-V13 WeakPolarHBondContact O-CG2 3.38Å; T9-V13 PolarHBondContact O-N 2.88Å; L10-V13 PolarHBondContact O-N 2.77Å; V13-S16 PolarHBondContact O-N 3.49Å; V13-N17 WeakPolarHBondContact O-CB 3.26Å; V13-N17 PolarHBondContact O-N 2.95Å; V13-N17 PolarHBondContact O-ND2 3.38Å
14	I	47	Very low	44.7	Very low	63 Å²	63	91.1 Å²	91.1	32%	0.323	46%	0.463	S	S	.	.	H	α-helix	trans	-62.4	-45.8	176.5	-65.8	167.9	0	0	0	110.4	L10 Q11 N17 Y18 L72	L10-I14 HydrophobicContact CG-CD1 4.34Å; L10-I14 WeakPolarHBondContact O-CG1 3.44Å; L10-I14 PolarHBondContact O-N 3.04Å; Q11-I14 PolarHBondContact O-N 3.47Å; I14-N17 PolarHBondContact O-N 2.99Å; I14-Y18 WeakPolarHBondContact O-CB 3.41Å; I14-Y18 PolarHBondContact O-N 3.49Å; I14-L72 HydrophobicContact CD1-CD2 4.4Å
15	L	46.9	Very low	44.5	Very low	104 Å²	104	88.8 Å²	88.8	55%	0.545	45%	0.454	S	S	.	.	H	α-helix	trans	-66	-38.7	-179.9	-154.1	78.8	0	0	0	111.8	Q11 N12 Y18 N19	Q11-L15 WeakPolarHBondContact O-CB 3.37Å; Q11-L15 PolarHBondContact O-N 3.43Å; N12-L15 PolarHBondContact O-N 3.17Å; L15-Y18 PolarHBondContact O-N 2.9Å; L15-N19 WeakPolarHBondContact O-CB 3.46Å; L15-N19 VanDerWaalsContact O-CG 3.31Å; L15-N19 PolarHBondContact O-N 2.81Å; L15-N19 PolarHBondContact O-ND2 3.07Å
16	S	46.2	Very low	44.1	Very low	73 Å²	73	89.5 Å²	89.5	51%	0.51	45%	0.454	S	S	.	.	H	α-helix	trans	-64.4	-44.7	175.4	177.3	0	0	0	0	111.9	N12 V13 Y18 N19 Y20	N12-S16 VanDerWaalsContact O-CB 3.25Å; N12-S16 WeakPolarHBondContact O-CB 3.37Å; N12-S16 PolarHBondContact O-N 2.93Å; V13-S16 PolarHBondContact O-N 3.49Å; S16-Y18 VanDerWaalsContact C-N 3.35Å; S16-N19 PolarHBondContact O-N 3.05Å; S16-Y20 WeakPolarHBondContact O-CB 3.4Å; S16-Y20 PolarHBondContact O-N 2.75Å
17	N	45.3	Very low	43.5	Very low	71 Å²	71	90.2 Å²	90.2	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-65.2	-39.5	175.9	-75.4	-22.1	0	0	0	111.7	V13 I14 Y20 V21	V13-N17 WeakPolarHBondContact O-CB 3.26Å; V13-N17 PolarHBondContact O-N 2.95Å; V13-N17 PolarHBondContact O-ND2 3.38Å; I14-N17 PolarHBondContact O-N 2.99Å; N17-Y20 PolarHBondContact O-N 3.15Å; N17-V21 VanDerWaalsContact O-CG2 3.32Å; N17-V21 WeakPolarHBondContact O-CG2 3.25Å; N17-V21 PolarHBondContact O-N 3.4Å; N17-V21 VanDerWaalsContact O-N 3.08Å
18	Y	45.1	Very low	43	Very low	120 Å²	120	88.3 Å²	88.3	47%	0.471	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-47.6	175.3	-175	-100.7	0	0	0	111.8	I14 L15 S16 Y20 V21 I22	I14-Y18 WeakPolarHBondContact O-CB 3.41Å; I14-Y18 PolarHBondContact O-N 3.49Å; L15-Y18 PolarHBondContact O-N 2.9Å; S16-Y18 VanDerWaalsContact C-N 3.35Å; Y18-Y20 PolarHBondContact O-N 3.02Å; Y18-V21 PolarHBondContact O-N 2.84Å; Y18-I22 HydrophobicContact CD1-CD1 3.79Å; Y18-I22 HydrophobicContact CD1-CG1 4.49Å; Y18-I22 HydrophobicContact CE1-CD1 3.21Å; Y18-I22 HydrophobicContact CE1-CG1 4.2Å; Y18-I22 PolarHBondContact O-N 3.05Å
19	N	47.6	Very low	42.2	Very low	83 Å²	83	87.7 Å²	87.7	44%	0.444	47%	0.468	S	S	.	.	H	α-helix	trans	-62.7	-42.5	176.8	-74.7	-22.6	0	0	0	111.5	L15 S16 V21 I22 T23	L15-N19 WeakPolarHBondContact O-CB 3.46Å; L15-N19 VanDerWaalsContact O-CG 3.31Å; L15-N19 PolarHBondContact O-N 2.81Å; L15-N19 PolarHBondContact O-ND2 3.07Å; S16-N19 PolarHBondContact O-N 3.05Å; N19-V21 VanDerWaalsContact C-N 3.3Å; N19-V21 PolarHBondContact O-N 3.35Å; N19-I22 PolarHBondContact O-N 2.83Å; N19-I22 VanDerWaalsContact O-N 3.11Å; N19-T23 PolarHBondContact O-N 3.11Å; N19-T23 PolarHBondContact O-OG1 3.08Å
20	Y	44.5	Very low	41.2	Very low	164 Å²	164	88.3 Å²	88.3	64%	0.643	48%	0.476	S	S	*	.	H	α-helix	trans	-57.3	-42.8	175.9	179.9	-96.3	0	0	0	112.3	S16 N17 Y18 T23 S24	S16-Y20 WeakPolarHBondContact O-CB 3.4Å; S16-Y20 PolarHBondContact O-N 2.75Å; N17-Y20 PolarHBondContact O-N 3.15Å; Y18-Y20 PolarHBondContact O-N 3.02Å; Y20-T23 PolarHBondContact O-N 2.96Å; Y20-S24 WeakPolarHBondContact O-CB 3.45Å; Y20-S24 PolarHBondContact O-N 3.36Å; Y20-S24 PolarHBondContact O-OG 2.57Å
21	V	41.8	Very low	40.1	Very low	59 Å²	59	92.3 Å²	92.3	36%	0.358	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-43.3	175.6	172.5	0	0	0	0	110.9	N17 Y18 N19 L25 I61	N17-V21 VanDerWaalsContact O-CG2 3.32Å; N17-V21 WeakPolarHBondContact O-CG2 3.25Å; N17-V21 PolarHBondContact O-N 3.4Å; N17-V21 VanDerWaalsContact O-N 3.08Å; Y18-V21 PolarHBondContact O-N 2.84Å; N19-V21 VanDerWaalsContact C-N 3.3Å; N19-V21 PolarHBondContact O-N 3.35Å; V21-L25 HydrophobicContact CG1-CD1 4.15Å; V21-L25 WeakPolarHBondContact O-CD1 3.32Å; V21-L25 VanDerWaalsContact O-CG 3.26Å; V21-L25 WeakPolarHBondContact O-CG 3.36Å; V21-L25 PolarHBondContact O-N 2.97Å; V21-L25 VanDerWaalsContact O-N 3.15Å; V21-I61 HydrophobicContact CG1-CD1 4.38Å; V21-I61 HydrophobicContact CG1-CG1 4.35Å
22	I	43.5	Very low	39	Very low	55 Å²	55	92.9 Å²	92.9	28%	0.282	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-47.9	176.7	-69.4	-177.5	0	0	0	111.7	Y18 N19 S24 L25 Q26	Y18-I22 HydrophobicContact CD1-CD1 3.79Å; Y18-I22 HydrophobicContact CD1-CG1 4.49Å; Y18-I22 HydrophobicContact CE1-CD1 3.21Å; Y18-I22 HydrophobicContact CE1-CG1 4.2Å; Y18-I22 PolarHBondContact O-N 3.05Å; N19-I22 PolarHBondContact O-N 2.83Å; N19-I22 VanDerWaalsContact O-N 3.11Å; I22-S24 VanDerWaalsContact C-N 3.3Å; I22-S24 PolarHBondContact O-N 3.49Å; I22-L25 CarbonylContact O-C 3.52Å; I22-L25 WeakPolarHBondContact O-CA 3.33Å; I22-L25 WeakPolarHBondContact O-CB 3.48Å; I22-L25 PolarHBondContact O-N 3Å; I22-Q26 HydrophobicContact CG2-CG 4.41Å; I22-Q26 PolarHBondContact O-N 2.92Å
23	T	41.4	Very low	37.7	Very low	82 Å²	82	93.7 Å²	93.7	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-63.2	-39.6	-178.8	-38	0	0	0	0	111.2	N19 Y20 L25 Q26 S27	N19-T23 PolarHBondContact O-N 3.11Å; N19-T23 PolarHBondContact O-OG1 3.08Å; Y20-T23 PolarHBondContact O-N 2.96Å; T23-L25 PolarHBondContact O-N 3.36Å; T23-Q26 PolarHBondContact O-N 3.4Å; T23-Q26 VanDerWaalsContact O-N 3.08Å; T23-S27 PolarHBondContact O-N 3.28Å; T23-S27 PolarHBondContact O-OG 3.26Å
24	S	37.9	Very low	36.5	Very low	47 Å²	47	96 Å²	96	33%	0.329	53%	0.532	S	S	.	.	H	α-helix	trans	-60.5	-35.4	174.5	-58	0	0	0	0	112	Y20 I22 S27	Y20-S24 WeakPolarHBondContact O-CB 3.45Å; Y20-S24 PolarHBondContact O-N 3.36Å; Y20-S24 PolarHBondContact O-OG 2.57Å; I22-S24 VanDerWaalsContact C-N 3.3Å; I22-S24 PolarHBondContact O-N 3.49Å; S24-S27 PolarHBondContact O-OG 2.69Å
25	L	35.5	Very low	35.3	Very low	67 Å²	67	99.4 Å²	99.4	35%	0.351	55%	0.55	S	S	.	*	H	α-helix	trans	-74	-30.5	173.8	-68.2	164.6	0	0	0	113	V21 I22 T23 T28 I61	V21-L25 HydrophobicContact CG1-CD1 4.15Å; V21-L25 WeakPolarHBondContact O-CD1 3.32Å; V21-L25 VanDerWaalsContact O-CG 3.26Å; V21-L25 WeakPolarHBondContact O-CG 3.36Å; V21-L25 PolarHBondContact O-N 2.97Å; V21-L25 VanDerWaalsContact O-N 3.15Å; I22-L25 CarbonylContact O-C 3.52Å; I22-L25 WeakPolarHBondContact O-CA 3.33Å; I22-L25 WeakPolarHBondContact O-CB 3.48Å; I22-L25 PolarHBondContact O-N 3Å; T23-L25 PolarHBondContact O-N 3.36Å; L25-T28 PolarHBondContact O-OG1 3Å; L25-I61 HydrophobicContact CD1-CD1 3.88Å
26	Q	34.4	Very low	34.2	Very low	127 Å²	127	102.5 Å²	102.5	59%	0.593	57%	0.568	S	S	*	*	H	α-helix	trans	-76.7	-35.7	176.7	-72.5	-179.6	-16.4	0	0	112.3	I22 T23 T28 N29	I22-Q26 HydrophobicContact CG2-CG 4.41Å; I22-Q26 PolarHBondContact O-N 2.92Å; T23-Q26 PolarHBondContact O-N 3.4Å; T23-Q26 VanDerWaalsContact O-N 3.08Å; Q26-T28 PolarHBondContact O-N 3.24Å; Q26-N29 PolarHBondContact O-N 2.88Å
27	S	32.8	Very low	33	Very low	82 Å²	82	106.3 Å²	106.3	57%	0.573	58%	0.582	S	S	*	*	H	α-helix	trans	-64.3	-21	178.2	50.5	0	0	0	0	113.8	T23 S24 N29	T23-S27 PolarHBondContact O-N 3.28Å; T23-S27 PolarHBondContact O-OG 3.26Å; S24-S27 PolarHBondContact O-OG 2.69Å; S27-N29 PolarHBondContact O-N 3.29Å
28	T	32.9	Very low	32	Very low	88 Å²	88	108.1 Å²	108.1	54%	0.54	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	-4.4	174.3	54.5	0	0	0	0	113.7	L25 Q26	L25-T28 PolarHBondContact O-OG1 3Å; Q26-T28 PolarHBondContact O-N 3.24Å
29	N	28.6	Very low	30.9	Very low	127 Å²	127	110.7 Å²	110.7	68%	0.679	62%	0.622	S	S	*	*			trans	-105.7	40.3	-177.9	-66.5	-17.3	0	0	0	113.1	Q26 S27	Q26-N29 PolarHBondContact O-N 2.88Å; S27-N29 PolarHBondContact O-N 3.29Å
30	S	24.4	Very low	29.9	Very low	94 Å²	94	110.5 Å²	110.5	66%	0.657	64%	0.64	S	S	*	*			trans	-72.9	127.8	173.9	-70.5	0	0	0	0	110.9	V32	S30-V32 PolarHBondContact O-N 3.4Å
31	P	23.6	Very low	28.9	Very low	128 Å²	128	110.3 Å²	110.3	83%	0.831	65%	0.65	S	S	*	*			trans	-76.3	107.1	-171.4	29	-32.5	0	0	0	110.8
32	V	23.7	Very low	28.1	Very low	147 Å²	147	115.5 Å²	115.5	89%	0.891	68%	0.676	S	S	*	*			trans	-82.9	125.2	171.2	179.3	0	0	0	0	109.3	S30	S30-V32 PolarHBondContact O-N 3.4Å
33	N	21.8	Very low	27.2	Very low	124 Å²	124	121.4 Å²	121.4	66%	0.663	71%	0.708	S	S	*	*			trans	-67.9	153.8	-177.1	-164.3	12.1	0	0	0	112.9
34	N	21.6	Very low	26.5	Very low	112 Å²	112	119.9 Å²	119.9	60%	0.599	71%	0.709	S	S	*	*			trans	85.6	112.9	153.3	-71.5	-30	0	0	0	121.1
35	N	21.3	Very low	25.9	Very low	134 Å²	134	125.7 Å²	125.7	72%	0.717	74%	0.736	S	S	*	*				44.3	107.8	120.5	-58.7	-18.5	0	0	0	116.7
36	N	24.4	Very low	25.5	Very low	169 Å²	169	129.3 Å²	129.3	90%	0.904	76%	0.756	S	S	*	*				-165.6	135.3	125.2	-87.4	-29.6	0	0	0	111.8
37	N	21	Very low	25.2	Very low	152 Å²	152	128.8 Å²	128.8	81%	0.813	76%	0.761	S	S	*	*			trans	-69.9	162.2	179.6	-69.9	-44.7	0	0	0	113.1
38	S	24.5	Very low	24.9	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	75%	0.752	S	S	*	*			trans	121.6	103.6	135.4	-41.4	0	0	0	0	117.1
39	N	22.6	Very low	24.8	Very low	175 Å²	175	128.3 Å²	128.3	94%	0.936	75%	0.754	S	S	*	*			trans	32.9	120.4	135.8	-70.1	-11	0	0	0	121.6
40	G	25.7	Very low	24.7	Very low	79 Å²	79	125.6 Å²	125.6	81%	0.814	74%	0.739	S	S	*	*			trans	-176.7	102.2	157.2	0	0	0	0	0	113
41	N	23.3	Very low	24.9	Very low	159 Å²	159	126.2 Å²	126.2	85%	0.85	74%	0.735	S	S	*	*			trans	-62.8	137.8	170.4	-78.6	-30.1	0	0	0	111.4
42	N	25.2	Very low	25.3	Very low	169 Å²	169	124.4 Å²	124.4	90%	0.904	72%	0.717	S	S	*	*			trans	-166	136.5	138.3	-93.7	-27.1	0	0	0	112.4	G44	N42-G44 PolarHBondContact O-N 3.38Å
43	N	24.3	Very low	25.9	Very low	178 Å²	178	121.5 Å²	121.5	95%	0.952	70%	0.697	S	S	*	*			trans	-74.6	112.8	179.4	-68.4	-43.1	0	0	0	111
44	G	25.9	Very low	26.3	Very low	51 Å²	51	120.9 Å²	120.9	53%	0.526	69%	0.693	S	S	.	*			trans	-154.6	126.6	167.2	0	0	0	0	0	108.2	N42 D46	N42-G44 PolarHBondContact O-N 3.38Å; G44-D46 PolarHBondContact O-N 2.86Å
45	N	26.3	Very low	27	Very low	168 Å²	168	119.1 Å²	119.1	90%	0.898	69%	0.686	S	S	*	*			trans	-70.8	53.9	176.4	-77.3	-33.8	0	0	0	110.9	T47	N45-T47 VanDerWaalsContact C-N 3.34Å; N45-T47 PolarHBondContact O-N 2.89Å
46	D	27.4	Very low	27.7	Very low	143 Å²	143	117 Å²	117	77%	0.765	68%	0.675	S	S	*	*			trans	-70.7	96.2	176	-69.8	-31.1	0	0	0	107.3	G44 N48	G44-D46 PolarHBondContact O-N 2.86Å; D46-N48 PolarHBondContact O-N 3.41Å
47	T	27.5	Very low	28.4	Very low	116 Å²	116	114.5 Å²	114.5	71%	0.712	65%	0.653	S	S	*	*			trans	-49.3	104.6	166	40.5	0	0	0	0	107.8	N45 P49	N45-T47 VanDerWaalsContact C-N 3.34Å; N45-T47 PolarHBondContact O-N 2.89Å; T47-P49 WeakPolarHBondContact O-CD 3.17Å
48	N	27.8	Very low	29.5	Very low	69 Å²	69	111.5 Å²	111.5	37%	0.369	64%	0.637	S	S	.	*			trans	-48.1	112.2	-171.2	-170.8	-5.3	0	0	0	110.3	D46 D50 L51	D46-N48 PolarHBondContact O-N 3.41Å; N48-D50 PolarHBondContact O-N 3.27Å; N48-D50 PolarHBondContact OD1-N 2.91Å; N48-D50 PolarHBondContact OD1-OD2 3.08Å; N48-L51 HydrophobicContact CB-CD1 4.49Å; N48-L51 WeakPolarHBondContact O-CB 3.38Å; N48-L51 PolarHBondContact O-N 3.42Å
49	P	29.5	Very low	30.4	Very low	91 Å²	91	109.5 Å²	109.5	59%	0.591	62%	0.62	S	S	*	*	H	α-helix	trans	-57.1	-23.6	-176.8	18.3	-28.6	0	0	0	112.7	T47 L51 I52 D53	T47-P49 WeakPolarHBondContact O-CD 3.17Å; P49-L51 VanDerWaalsContact C-N 3.3Å; P49-L51 PolarHBondContact O-N 3.49Å; P49-I52 WeakPolarHBondContact O-CB 3.43Å; P49-I52 PolarHBondContact O-N 3.44Å; P49-I52 VanDerWaalsContact O-N 3.08Å; P49-D53 PolarHBondContact O-N 3.41Å
50	D	27.7	Very low	31.3	Very low	70 Å²	70	106 Å²	106	37%	0.374	60%	0.601	S	S	.	*	H	α-helix	trans	-60	-37.9	174.7	-62.5	-27.3	0	0	0	113	N48 I52 D53 L54 C122	N48-D50 PolarHBondContact O-N 3.27Å; N48-D50 PolarHBondContact OD1-N 2.91Å; N48-D50 PolarHBondContact OD1-OD2 3.08Å; D50-I52 VanDerWaalsContact C-N 3.31Å; D50-I52 PolarHBondContact O-N 3.37Å; D50-D53 PolarHBondContact O-N 2.84Å; D50-L54 PolarHBondContact O-N 3.42Å; D50-C122 PolarHBondContact OD2-SG 3.05Å
51	L	27.6	Very low	32	Very low	108 Å²	108	104.4 Å²	104.4	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-66.5	-37.4	176.6	-108.7	135.2	0	0	0	110.5	N48 P49 T55	N48-L51 HydrophobicContact CB-CD1 4.49Å; N48-L51 WeakPolarHBondContact O-CB 3.38Å; N48-L51 PolarHBondContact O-N 3.42Å; P49-L51 VanDerWaalsContact C-N 3.3Å; P49-L51 PolarHBondContact O-N 3.49Å; L51-T55 WeakPolarHBondContact O-CB 3.45Å; L51-T55 PolarHBondContact O-N 2.9Å; L51-T55 PolarHBondContact O-OG1 3.16Å
52	I	32.1	Very low	33	Very low	90 Å²	90	103.5 Å²	103.5	46%	0.462	56%	0.561	S	S	.	*	H	α-helix	trans	-66.7	-40.8	178.5	-59.8	174.1	0	0	0	109.8	P49 D50 T55 N56	P49-I52 WeakPolarHBondContact O-CB 3.43Å; P49-I52 PolarHBondContact O-N 3.44Å; P49-I52 VanDerWaalsContact O-N 3.08Å; D50-I52 VanDerWaalsContact C-N 3.31Å; D50-I52 PolarHBondContact O-N 3.37Å; I52-T55 PolarHBondContact O-N 2.9Å; I52-N56 WeakPolarHBondContact O-CB 3.35Å; I52-N56 PolarHBondContact O-N 3.39Å
53	D	36	Very low	33.9	Very low	86 Å²	86	103.8 Å²	103.8	46%	0.46	55%	0.55	S	S	.	.	H	α-helix	trans	-73	-39.3	-179.8	-159	36	0	0	0	112.8	P49 D50 T55 N56 R57	P49-D53 PolarHBondContact O-N 3.41Å; D50-D53 PolarHBondContact O-N 2.84Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 2.92Å; D53-N56 PolarHBondContact O-N 3.35Å; D53-R57 WeakPolarHBondContact O-CB 3.47Å; D53-R57 WeakPolarHBondContact O-CG 3.36Å; D53-R57 PolarHBondContact O-N 3.42Å; D53-R57 IonicContact OD2-NE 3.98Å
54	L	31.2	Very low	34.7	Very low	110 Å²	110	99.1 Å²	99.1	58%	0.576	53%	0.53	S	S	*	.	H	α-helix	trans	-61.3	-40.4	170.3	-103.8	97.4	0	0	0	112.1	D50 R57 N58	D50-L54 PolarHBondContact O-N 3.42Å; L54-R57 PolarHBondContact O-N 3.48Å; L54-N58 WeakPolarHBondContact O-CB 3.44Å; L54-N58 PolarHBondContact O-N 3.42Å; L54-N58 PolarHBondContact O-ND2 3.3Å
55	T	34.8	Very low	35.5	Very low	75 Å²	75	100 Å²	100	46%	0.46	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-43.3	178.5	-46.2	0	0	0	0	110.1	L51 I52 D53 N58 V59	L51-T55 WeakPolarHBondContact O-CB 3.45Å; L51-T55 PolarHBondContact O-N 2.9Å; L51-T55 PolarHBondContact O-OG1 3.16Å; I52-T55 PolarHBondContact O-N 2.9Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 2.92Å; T55-N58 PolarHBondContact O-N 3.46Å; T55-V59 WeakPolarHBondContact O-CB 3.47Å; T55-V59 WeakPolarHBondContact O-CG2 3.47Å; T55-V59 PolarHBondContact O-N 2.93Å
56	N	37.3	Very low	36.5	Very low	89 Å²	89	97.2 Å²	97.2	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-41.3	175.7	-79.4	-21.1	0	0	0	112.3	I52 D53 V59 L60	I52-N56 WeakPolarHBondContact O-CB 3.35Å; I52-N56 PolarHBondContact O-N 3.39Å; D53-N56 PolarHBondContact O-N 3.35Å; N56-V59 WeakPolarHBondContact O-CB 3.45Å; N56-V59 PolarHBondContact O-N 2.98Å; N56-L60 WeakPolarHBondContact O-CG 3.5Å; N56-L60 PolarHBondContact O-N 3.02Å
57	R	39.6	Very low	37.4	Very low	118 Å²	118	97.2 Å²	97.2	45%	0.445	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-46.6	174.4	-80.6	-179	174.1	-174.6	-2.6	112.2	D53 L54 V59 L60 I61	D53-R57 WeakPolarHBondContact O-CB 3.47Å; D53-R57 WeakPolarHBondContact O-CG 3.36Å; D53-R57 PolarHBondContact O-N 3.42Å; D53-R57 IonicContact OD2-NE 3.98Å; L54-R57 PolarHBondContact O-N 3.48Å; R57-V59 VanDerWaalsContact C-N 3.27Å; R57-V59 PolarHBondContact O-N 3.3Å; R57-L60 PolarHBondContact O-N 3.15Å; R57-L60 VanDerWaalsContact O-N 3.16Å; R57-I61 WeakPolarHBondContact O-CG1 3.45Å; R57-I61 PolarHBondContact O-N 3.14Å
58	N	43	Very low	38.1	Very low	88 Å²	88	95.4 Å²	95.4	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-35.9	175.5	-80.2	-33.1	0	0	0	112.1	L54 T55 K62	L54-N58 WeakPolarHBondContact O-CB 3.44Å; L54-N58 PolarHBondContact O-N 3.42Å; L54-N58 PolarHBondContact O-ND2 3.3Å; T55-N58 PolarHBondContact O-N 3.46Å; N58-K62 WeakPolarHBondContact O-CB 3.32Å; N58-K62 VanDerWaalsContact O-CG 3.32Å; N58-K62 WeakPolarHBondContact O-CG 3.49Å; N58-K62 PolarHBondContact O-N 3.44Å
59	V	43.9	Very low	39	Very low	67 Å²	67	96.4 Å²	96.4	41%	0.406	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-43.2	173.4	168.8	0	0	0	0	111.1	T55 N56 R57 K62 R63	T55-V59 WeakPolarHBondContact O-CB 3.47Å; T55-V59 WeakPolarHBondContact O-CG2 3.47Å; T55-V59 PolarHBondContact O-N 2.93Å; N56-V59 WeakPolarHBondContact O-CB 3.45Å; N56-V59 PolarHBondContact O-N 2.98Å; R57-V59 VanDerWaalsContact C-N 3.27Å; R57-V59 PolarHBondContact O-N 3.3Å; V59-K62 PolarHBondContact O-N 2.9Å; V59-R63 WeakPolarHBondContact O-CG 3.32Å; V59-R63 PolarHBondContact O-N 3.22Å
60	L	40.4	Very low	39.7	Very low	103 Å²	103	95 Å²	95	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-44.1	176.6	-74.2	169.2	0	0	0	111.8	N56 R57 K62 R63 C64	N56-L60 WeakPolarHBondContact O-CG 3.5Å; N56-L60 PolarHBondContact O-N 3.02Å; R57-L60 PolarHBondContact O-N 3.15Å; R57-L60 VanDerWaalsContact O-N 3.16Å; L60-K62 PolarHBondContact O-N 3.39Å; L60-R63 WeakPolarHBondContact O-CB 3.34Å; L60-R63 PolarHBondContact O-N 3.46Å; L60-R63 VanDerWaalsContact O-N 3.15Å; L60-C64 PolarHBondContact O-N 2.96Å; L60-C64 PolarHBondContact O-SG 2.85Å; L60-C64 VanDerWaalsContact O-SG 3.41Å
61	I	41.8	Very low	40.4	Very low	45 Å²	45	96.3 Å²	96.3	23%	0.231	49%	0.489	C	S	.	.	H	α-helix	trans	-60.7	-44.8	175.8	-66.7	164.7	0	0	0	110.8	V21 L25 R57 R63 C64 L65	V21-I61 HydrophobicContact CG1-CD1 4.38Å; V21-I61 HydrophobicContact CG1-CG1 4.35Å; L25-I61 HydrophobicContact CD1-CD1 3.88Å; R57-I61 WeakPolarHBondContact O-CG1 3.45Å; R57-I61 PolarHBondContact O-N 3.14Å; I61-R63 VanDerWaalsContact C-N 3.33Å; I61-R63 PolarHBondContact O-N 3.37Å; I61-C64 PolarHBondContact O-N 3.02Å; I61-L65 HydrophobicContact CG2-CD1 4.01Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.15Å
62	K	44.5	Very low	41.1	Very low	139 Å²	139	93 Å²	93	60%	0.604	47%	0.472	S	S	*	.	H	α-helix	trans	-60.7	-41.9	174.9	-76.7	179.1	179.8	-176.4	0	111.7	N58 V59 L60 L65 I66	N58-K62 WeakPolarHBondContact O-CB 3.32Å; N58-K62 VanDerWaalsContact O-CG 3.32Å; N58-K62 WeakPolarHBondContact O-CG 3.49Å; N58-K62 PolarHBondContact O-N 3.44Å; V59-K62 PolarHBondContact O-N 2.9Å; L60-K62 PolarHBondContact O-N 3.39Å; K62-L65 PolarHBondContact O-N 3.45Å; K62-I66 WeakPolarHBondContact O-CB 3.26Å; K62-I66 WeakPolarHBondContact O-CD1 3.43Å; K62-I66 WeakPolarHBondContact O-CG1 3.41Å; K62-I66 PolarHBondContact O-N 3.37Å
63	R	44	Very low	41.7	Very low	175 Å²	175	95.6 Å²	95.6	66%	0.66	48%	0.481	S	S	*	.	H	α-helix	trans	-63	-43.1	175.2	-73.2	175.7	92.2	154.6	5.2	111.9	V59 L60 I61 I66 K67	V59-R63 WeakPolarHBondContact O-CG 3.32Å; V59-R63 PolarHBondContact O-N 3.22Å; L60-R63 WeakPolarHBondContact O-CB 3.34Å; L60-R63 PolarHBondContact O-N 3.46Å; L60-R63 VanDerWaalsContact O-N 3.15Å; I61-R63 VanDerWaalsContact C-N 3.33Å; I61-R63 PolarHBondContact O-N 3.37Å; R63-I66 PolarHBondContact O-N 3.35Å; R63-K67 WeakPolarHBondContact O-CB 3.48Å; R63-K67 PolarHBondContact O-N 3.45Å
64	C	41	Very low	42	Very low	81 Å²	81	97 Å²	97	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-60.5	-47	175.6	-72	0	0	0	0	111.3	L60 I61 K67 L68	L60-C64 PolarHBondContact O-N 2.96Å; L60-C64 PolarHBondContact O-SG 2.85Å; L60-C64 VanDerWaalsContact O-SG 3.41Å; I61-C64 PolarHBondContact O-N 3.02Å; C64-K67 PolarHBondContact O-N 3.41Å; C64-L68 WeakPolarHBondContact O-CB 3.41Å; C64-L68 PolarHBondContact O-N 2.86Å
65	L	42.9	Very low	42.4	Very low	70 Å²	70	97 Å²	97	37%	0.366	48%	0.477	S	S	.	.	H	α-helix	trans	-62.3	-43.5	177.6	-76.9	164.5	0	0	0	112.6	I61 K62 L68 N69	I61-L65 HydrophobicContact CG2-CD1 4.01Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.15Å; K62-L65 PolarHBondContact O-N 3.45Å; L65-L68 PolarHBondContact O-N 2.9Å; L65-N69 WeakPolarHBondContact O-CB 3.44Å; L65-N69 PolarHBondContact O-N 3.02Å
66	I	46.1	Very low	42.6	Very low	109 Å²	109	96.5 Å²	96.5	56%	0.559	47%	0.472	S	S	*	.	H	α-helix	trans	-62.9	-44.3	176.5	-68.6	164.3	0	0	0	110.4	K62 R63 L68 N69 S70	K62-I66 WeakPolarHBondContact O-CB 3.26Å; K62-I66 WeakPolarHBondContact O-CD1 3.43Å; K62-I66 WeakPolarHBondContact O-CG1 3.41Å; K62-I66 PolarHBondContact O-N 3.37Å; R63-I66 PolarHBondContact O-N 3.35Å; I66-L68 VanDerWaalsContact C-N 3.34Å; I66-L68 PolarHBondContact O-N 3.28Å; I66-N69 PolarHBondContact O-N 3.1Å; I66-S70 WeakPolarHBondContact O-CB 3.41Å; I66-S70 PolarHBondContact O-N 3.31Å
67	K	45.8	Very low	42.8	Very low	142 Å²	142	95 Å²	95	62%	0.617	47%	0.468	S	S	*	.	H	α-helix	trans	-62.2	-42.8	178	-165.3	81.4	176.8	-175.3	0	111.1	R63 C64 S70 L71	R63-K67 WeakPolarHBondContact O-CB 3.48Å; R63-K67 PolarHBondContact O-N 3.45Å; C64-K67 PolarHBondContact O-N 3.41Å; K67-S70 PolarHBondContact O-N 3.08Å; K67-L71 HydrophobicContact CG-CD1 4.35Å; K67-L71 WeakPolarHBondContact O-CG 3.39Å; K67-L71 PolarHBondContact O-N 2.84Å
68	L	43.3	Very low	42.7	Very low	78 Å²	78	94 Å²	94	41%	0.408	48%	0.479	S	S	.	.	H	α-helix	trans	-64.6	-43.8	178.8	-135.9	147.8	0	0	0	111.3	C64 L65 I66 L71 L72	C64-L68 WeakPolarHBondContact O-CB 3.41Å; C64-L68 PolarHBondContact O-N 2.86Å; L65-L68 PolarHBondContact O-N 2.9Å; I66-L68 VanDerWaalsContact C-N 3.34Å; I66-L68 PolarHBondContact O-N 3.28Å; L68-L71 PolarHBondContact O-N 3.25Å; L68-L72 VanDerWaalsContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CB 3.46Å; L68-L72 PolarHBondContact O-N 3.48Å
69	N	46.1	Very low	42.3	Very low	90 Å²	90	92.9 Å²	92.9	48%	0.481	47%	0.473	S	S	.	.	H	α-helix	trans	-65.8	-36.8	174.8	-75.4	-18.7	0	0	0	112.7	L65 I66 L72 F73	L65-N69 WeakPolarHBondContact O-CB 3.44Å; L65-N69 PolarHBondContact O-N 3.02Å; I66-N69 PolarHBondContact O-N 3.1Å; N69-L72 WeakPolarHBondContact O-CB 3.3Å; N69-L72 PolarHBondContact O-N 2.6Å; N69-F73 WeakPolarHBondContact O-CB 3.38Å; N69-F73 PolarHBondContact O-N 3.45Å
70	S	45.3	Very low	42.1	Very low	62 Å²	62	98.3 Å²	98.3	43%	0.434	49%	0.491	S	S	.	.	H	α-helix	trans	-65.8	-46.1	175.6	-172.7	0	0	0	0	111.6	I66 K67 L72 F73 E74	I66-S70 WeakPolarHBondContact O-CB 3.41Å; I66-S70 PolarHBondContact O-N 3.31Å; K67-S70 PolarHBondContact O-N 3.08Å; S70-L72 VanDerWaalsContact C-N 3.27Å; S70-L72 PolarHBondContact O-N 2.81Å; S70-F73 PolarHBondContact O-N 3.49Å; S70-E74 PolarHBondContact O-N 3.41Å
71	L	42.4	Very low	41.7	Very low	97 Å²	97	98.5 Å²	98.5	51%	0.508	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-36.9	176.3	-71.7	170	0	0	0	111.2	K67 L68 E74 Y75	K67-L71 HydrophobicContact CG-CD1 4.35Å; K67-L71 WeakPolarHBondContact O-CG 3.39Å; K67-L71 PolarHBondContact O-N 2.84Å; L68-L71 PolarHBondContact O-N 3.25Å; L71-E74 PolarHBondContact O-N 3.35Å; L71-Y75 WeakPolarHBondContact O-CB 3.43Å; L71-Y75 PolarHBondContact O-N 2.85Å
72	L	42.5	Very low	41.4	Very low	40 Å²	40	102.1 Å²	102.1	21%	0.209	50%	0.504	C	S	.	.	H	α-helix	trans	-62.5	-45.3	174.1	-175.4	72.8	0	0	0	111.6	L10 I14 L68 N69 S70 Y75 L76	L10-L72 HydrophobicContact CD1-CD1 3.52Å; L10-L72 HydrophobicContact CD2-CD1 3.86Å; L10-L72 HydrophobicContact CD2-CD2 4.12Å; L10-L72 HydrophobicContact CD2-CG 4.47Å; L10-L72 HydrophobicContact CG-CD1 4.14Å; I14-L72 HydrophobicContact CD1-CD2 4.4Å; L68-L72 VanDerWaalsContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CB 3.46Å; L68-L72 PolarHBondContact O-N 3.48Å; N69-L72 WeakPolarHBondContact O-CB 3.3Å; N69-L72 PolarHBondContact O-N 2.6Å; S70-L72 VanDerWaalsContact C-N 3.27Å; S70-L72 PolarHBondContact O-N 2.81Å; L72-Y75 PolarHBondContact O-N 2.96Å; L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 2.85Å
73	F	43.2	Very low	41	Very low	144 Å²	144	101 Å²	101	63%	0.632	51%	0.513	S	S	*	.	H	α-helix	trans	-64.5	-42.1	178	-173.8	-93.7	0	0	0	111.9	N69 S70 L76 S77	N69-F73 WeakPolarHBondContact O-CB 3.38Å; N69-F73 PolarHBondContact O-N 3.45Å; S70-F73 PolarHBondContact O-N 3.49Å; F73-L76 PolarHBondContact O-N 2.97Å; F73-S77 VanDerWaalsContact O-CB 3.24Å; F73-S77 WeakPolarHBondContact O-CB 3.39Å; F73-S77 PolarHBondContact O-N 3.08Å; F73-S77 PolarHBondContact O-OG 3Å
74	E	42.7	Very low	40.2	Very low	115 Å²	115	96.7 Å²	96.7	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-61	-44.1	173.5	-80.5	-175	160.2	0	0	111.8	S70 L71 S77 S78	S70-E74 PolarHBondContact O-N 3.41Å; L71-E74 PolarHBondContact O-N 3.35Å; E74-S77 PolarHBondContact O-N 3.17Å; E74-S78 WeakPolarHBondContact O-CB 3.39Å; E74-S78 PolarHBondContact O-N 3.28Å; E74-S78 PolarHBondContact O-OG 3.17Å
75	Y	40.7	Very low	39.5	Very low	110 Å²	110	97.7 Å²	97.7	43%	0.431	51%	0.509	S	S	.	.	H	α-helix	trans	-63.1	-44.6	178.4	-177.2	-97.1	0	0	0	112.3	L71 L72 S77 N79	L71-Y75 WeakPolarHBondContact O-CB 3.43Å; L71-Y75 PolarHBondContact O-N 2.85Å; L72-Y75 PolarHBondContact O-N 2.96Å; Y75-S77 VanDerWaalsContact C-N 3.27Å; Y75-S77 PolarHBondContact O-N 2.94Å; Y75-N79 WeakPolarHBondContact CE1-ND2 3.21Å; Y75-N79 WeakPolarHBondContact CE2-ND2 3.48Å; Y75-N79 PolarHBondContact O-N 3Å; Y75-N79 PolarHBondContact OH-ND2 3.25Å
76	L	38.3	Very low	38.7	Very low	65 Å²	65	98.3 Å²	98.3	34%	0.34	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-32.7	175.7	-69.4	172.3	0	0	0	112.3	F6 L72 F73 W82	F6-L76 HydrophobicContact CE1-CD2 4.04Å; L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 2.85Å; F73-L76 PolarHBondContact O-N 2.97Å; L76-W82 HydrophobicContact CD2-CH2 4.13Å; L76-W82 HydrophobicContact CD2-CZ2 3.9Å
77	S	41.9	Very low	37.9	Very low	58 Å²	58	97.6 Å²	97.6	41%	0.406	53%	0.53	S	S	.	.	H	α-helix	trans	-81.1	-34.5	-178.4	-61.3	0	0	0	0	113.2	F73 E74 Y75	F73-S77 VanDerWaalsContact O-CB 3.24Å; F73-S77 WeakPolarHBondContact O-CB 3.39Å; F73-S77 PolarHBondContact O-N 3.08Å; F73-S77 PolarHBondContact O-OG 3Å; E74-S77 PolarHBondContact O-N 3.17Å; Y75-S77 VanDerWaalsContact C-N 3.27Å; Y75-S77 PolarHBondContact O-N 2.94Å
78	S	36.9	Very low	37	Very low	96 Å²	96	95.4 Å²	95.4	67%	0.671	53%	0.532	S	S	*	.	H	α-helix	trans	-75	-29.7	179.7	-72.6	0	0	0	0	112.5	E74 K80	E74-S78 WeakPolarHBondContact O-CB 3.39Å; E74-S78 PolarHBondContact O-N 3.28Å; E74-S78 PolarHBondContact O-OG 3.17Å; S78-K80 VanDerWaalsContact C-N 3.33Å; S78-K80 PolarHBondContact O-N 3.32Å
79	N	34.3	Very low	36	Very low	64 Å²	64	94.2 Å²	94.2	34%	0.342	53%	0.534	S	S	.	.			trans	-84.4	76.7	175	-72	-26.9	0	0	0	110.8	Y75 D81 W82	Y75-N79 WeakPolarHBondContact CE1-ND2 3.21Å; Y75-N79 WeakPolarHBondContact CE2-ND2 3.48Å; Y75-N79 PolarHBondContact O-N 3Å; Y75-N79 PolarHBondContact OH-ND2 3.25Å; N79-D81 PolarHBondContact O-N 3.47Å; N79-W82 PolarHBondContact O-NE1 3.22Å
80	K	39.3	Very low	35.1	Very low	182 Å²	182	93.1 Å²	93.1	79%	0.791	53%	0.533	S	S	*	.			trans	-70.1	-18.9	171.6	-75.6	-175.9	176.8	177.6	0	113.2	S78	S78-K80 VanDerWaalsContact C-N 3.33Å; S78-K80 PolarHBondContact O-N 3.32Å
81	D	33.4	Very low	34.2	Very low	107 Å²	107	95.5 Å²	95.5	57%	0.572	55%	0.547	S	S	*	.			trans	-106.7	72.7	-175.1	-64.9	-33.5	0	0	0	112	N79 S83 S84	N79-D81 PolarHBondContact O-N 3.47Å; D81-S83 PolarHBondContact O-N 3.33Å; D81-S84 WeakPolarHBondContact CB-OG 3.02Å; D81-S84 PolarHBondContact O-N 3.03Å; D81-S84 PolarHBondContact O-OG 3.3Å
82	W	35.4	Very low	33.5	Very low	121 Å²	121	94.7 Å²	94.7	46%	0.458	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.6	167.6	-66.6	85.3	0	0	0	112.3	F6 L76 N79	F6-W82 AromaticContact CD1-CH2 3.99Å; F6-W82 HydrophobicContact CD1-CH2 3.99Å; F6-W82 HydrophobicContact CD1-CZ3 4.22Å; F6-W82 HydrophobicContact CD2-CZ3 4.47Å; F6-W82 AromaticContact CE1-CH2 3.72Å; F6-W82 HydrophobicContact CE1-CH2 3.72Å; F6-W82 HydrophobicContact CE1-CZ3 4.32Å; F6-W82 HydrophobicContact CE2-CH2 4.47Å; F6-W82 HydrophobicContact CG-CH2 4.49Å; F6-W82 HydrophobicContact CG-CZ3 4.31Å; F6-W82 AromaticContact CZ-CH2 3.98Å; F6-W82 HydrophobicContact CZ-CH2 3.98Å; F6-W82 HydrophobicContact CZ-CZ3 4.49Å; L76-W82 HydrophobicContact CD2-CH2 4.13Å; L76-W82 HydrophobicContact CD2-CZ2 3.9Å; N79-W82 PolarHBondContact O-NE1 3.22Å
83	S	34.7	Very low	32.7	Very low	115 Å²	115	95.6 Å²	95.6	80%	0.804	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-19.1	-178.9	7.9	0	0	0	0	114	D81	D81-S83 PolarHBondContact O-N 3.33Å
84	S	28.7	Very low	31.9	Very low	84 Å²	84	93.1 Å²	93.1	59%	0.587	55%	0.552	S	S	*	*			trans	-97.8	-1.5	-175.5	66.7	0	0	0	0	114.6	D81 S86	D81-S84 WeakPolarHBondContact CB-OG 3.02Å; D81-S84 PolarHBondContact O-N 3.03Å; D81-S84 PolarHBondContact O-OG 3.3Å; S84-S86 PolarHBondContact O-N 3.17Å
85	L	25.4	Very low	31.2	Very low	103 Å²	103	91 Å²	91	54%	0.539	55%	0.55	S	S	.	.			trans	-69.8	81.1	166.7	-88.2	145.4	0	0	0	109.3
86	S	26.1	Very low	30.6	Very low	83 Å²	83	89.2 Å²	89.2	58%	0.58	55%	0.554	S	S	*	*			trans	-54.4	146.3	172.7	69	0	0	0	0	110.4	S84 S88	S84-S86 PolarHBondContact O-N 3.17Å; S86-S88 PolarHBondContact O-N 3Å
87	A	29.5	Very low	30.1	Very low	94 Å²	94	89 Å²	89	78%	0.777	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	13.8	-166.8	0	0	0	0	0	116.2
88	S	26.2	Very low	29.5	Very low	95 Å²	95	91.2 Å²	91.2	66%	0.664	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	1.5	-172.7	56.5	0	0	0	0	115.2	S86 S90	S86-S88 PolarHBondContact O-N 3Å; S88-S90 PolarHBondContact O-N 2.92Å
89	A	23.8	Very low	29.1	Very low	54 Å²	54	89.9 Å²	89.9	45%	0.446	56%	0.555	S	S	.	*			trans	-73.9	88.8	176	0	0	0	0	0	110.9
90	S	25.8	Very low	28.8	Very low	67 Å²	67	90 Å²	90	47%	0.469	56%	0.561	S	S	.	*			trans	-61.8	147.6	169.9	47.8	0	0	0	0	110.8	S88 S92 S93	S88-S90 PolarHBondContact O-N 2.92Å; S90-S92 PolarHBondContact O-N 3.32Å; S90-S92 PolarHBondContact OG-OG 2.87Å; S90-S93 PolarHBondContact O-N 3.35Å; S90-S93 VanDerWaalsContact O-N 3.11Å; S90-S93 PolarHBondContact O-OG 3.39Å
91	P	26	Very low	28.1	Very low	112 Å²	112	83.6 Å²	83.6	73%	0.727	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-21.9	-173.1	-27	32.5	0	0	0	116.1	S93 L94 S95	P91-S93 VanDerWaalsContact C-N 3.29Å; P91-S93 PolarHBondContact O-N 2.87Å; P91-L94 PolarHBondContact O-N 3.39Å; P91-S95 PolarHBondContact O-N 2.88Å
92	S	27.7	Very low	27.8	Very low	79 Å²	79	82.5 Å²	82.5	55%	0.552	54%	0.539	S	S	*	.	H	α-helix	trans	-63	-25.2	178.2	44	0	0	0	0	114.6	S90 S95	S90-S92 PolarHBondContact O-N 3.32Å; S90-S92 PolarHBondContact OG-OG 2.87Å; S92-S95 PolarHBondContact O-OG 3.41Å; S92-S95 VanDerWaalsContact O-OG 3.08Å
93	S	26.7	Very low	27.4	Very low	59 Å²	59	80.7 Å²	80.7	41%	0.413	55%	0.545	S	S	.	.	H	α-helix	trans	-81.4	-21.7	176.4	67.9	0	0	0	0	113.4	S90 P91 S96 S97	S90-S93 PolarHBondContact O-N 3.35Å; S90-S93 VanDerWaalsContact O-N 3.11Å; S90-S93 PolarHBondContact O-OG 3.39Å; P91-S93 VanDerWaalsContact C-N 3.29Å; P91-S93 PolarHBondContact O-N 2.87Å; S93-S96 PolarHBondContact O-OG 3.47Å; S93-S97 PolarHBondContact O-OG 2.93Å
94	L	26.4	Very low	26.9	Very low	93 Å²	93	82.1 Å²	82.1	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-78.1	-31.4	172.8	-88.8	148.8	0	0	0	111.3	P91 S96 S97 L98	P91-L94 PolarHBondContact O-N 3.39Å; L94-S96 PolarHBondContact O-N 2.9Å; L94-S97 PolarHBondContact O-OG 3.37Å; L94-S97 VanDerWaalsContact O-OG 3.08Å; L94-L98 WeakPolarHBondContact O-CB 3.26Å; L94-L98 PolarHBondContact O-N 2.87Å
95	S	29	Very low	26.7	Very low	70 Å²	70	84.2 Å²	84.2	49%	0.49	55%	0.545	S	S	.	.	H	α-helix	trans	-67	-35.2	176.2	77.1	0	0	0	0	112.3	P91 S92 L98 S99	P91-S95 PolarHBondContact O-N 2.88Å; S92-S95 PolarHBondContact O-OG 3.41Å; S92-S95 VanDerWaalsContact O-OG 3.08Å; S95-L98 PolarHBondContact O-N 3.29Å; S95-S99 VanDerWaalsContact O-CB 3.32Å; S95-S99 WeakPolarHBondContact O-CB 3.19Å; S95-S99 PolarHBondContact O-N 3.41Å; S95-S99 PolarHBondContact O-OG 3.35Å
96	S	28	Very low	26.5	Very low	73 Å²	73	87 Å²	87	51%	0.51	56%	0.555	S	S	.	*	H	α-helix	trans	-68.9	-41	178	56.4	0	0	0	0	112.5	S93 L94 S99 S100	S93-S96 PolarHBondContact O-OG 3.47Å; L94-S96 PolarHBondContact O-N 2.9Å; S96-S99 WeakPolarHBondContact O-CB 3.38Å; S96-S99 PolarHBondContact O-N 2.92Å; S96-S100 PolarHBondContact O-N 3.26Å; S96-S100 VanDerWaalsContact O-N 3.17Å; S96-S100 PolarHBondContact O-OG 2.94Å
97	S	27.6	Very low	26.5	Very low	61 Å²	61	87.7 Å²	87.7	43%	0.427	56%	0.558	S	S	.	*	H	α-helix	trans	-69.1	-34	175.8	45.9	0	0	0	0	112.8	S93 L94 S100 A101	S93-S97 PolarHBondContact O-OG 2.93Å; L94-S97 PolarHBondContact O-OG 3.37Å; L94-S97 VanDerWaalsContact O-OG 3.08Å; S97-S100 VanDerWaalsContact C-OG 3.29Å; S97-S100 WeakPolarHBondContact CA-OG 3.49Å; S97-S100 PolarHBondContact O-OG 2.71Å; S97-A101 PolarHBondContact O-N 3.05Å
98	L	28.6	Very low	26.1	Very low	104 Å²	104	93.3 Å²	93.3	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-74.4	-31	171.8	-134.3	76.4	0	0	0	112.5	L94 S95 S100 A101 T102	L94-L98 WeakPolarHBondContact O-CB 3.26Å; L94-L98 PolarHBondContact O-N 2.87Å; S95-L98 PolarHBondContact O-N 3.29Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 3.43Å; L98-A101 CarbonylContact O-C 3.59Å; L98-A101 WeakPolarHBondContact O-CA 3.09Å; L98-A101 WeakPolarHBondContact O-CB 3.25Å; L98-A101 PolarHBondContact O-N 3.39Å; L98-T102 PolarHBondContact O-N 2.93Å; L98-T102 PolarHBondContact O-OG1 3.3Å
99	S	27.7	Very low	25.9	Very low	68 Å²	68	96.8 Å²	96.8	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-61.1	-39.5	174	-58.9	0	0	0	0	111	S95 S96 A101 T102 S103	S95-S99 VanDerWaalsContact O-CB 3.32Å; S95-S99 WeakPolarHBondContact O-CB 3.19Å; S95-S99 PolarHBondContact O-N 3.41Å; S95-S99 PolarHBondContact O-OG 3.35Å; S96-S99 WeakPolarHBondContact O-CB 3.38Å; S96-S99 PolarHBondContact O-N 2.92Å; S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 2.83Å; S99-T102 VanDerWaalsContact CA-OG1 3.26Å; S99-T102 WeakPolarHBondContact CA-OG1 3.46Å; S99-T102 PolarHBondContact O-N 2.76Å; S99-T102 PolarHBondContact O-OG1 3.2Å; S99-S103 PolarHBondContact O-N 3.28Å
100	S	28.1	Very low	25.8	Very low	66 Å²	66	102.7 Å²	102.7	46%	0.462	58%	0.584	S	S	.	*	H	α-helix	trans	-68.5	-24.1	171.3	38.3	0	0	0	0	114	S96 S97 L98 S103	S96-S100 PolarHBondContact O-N 3.26Å; S96-S100 VanDerWaalsContact O-N 3.17Å; S96-S100 PolarHBondContact O-OG 2.94Å; S97-S100 VanDerWaalsContact C-OG 3.29Å; S97-S100 WeakPolarHBondContact CA-OG 3.49Å; S97-S100 PolarHBondContact O-OG 2.71Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 3.43Å; S100-S103 PolarHBondContact O-OG 2.78Å
101	A	26.3	Very low	25.5	Very low	48 Å²	48	107.7 Å²	107.7	40%	0.397	60%	0.598	S	S	.	*	H	α-helix	trans	-79.2	-35	172	0	0	0	0	0	111.5	S97 L98 S99 S103 I104	S97-A101 PolarHBondContact O-N 3.05Å; L98-A101 CarbonylContact O-C 3.59Å; L98-A101 WeakPolarHBondContact O-CA 3.09Å; L98-A101 WeakPolarHBondContact O-CB 3.25Å; L98-A101 PolarHBondContact O-N 3.39Å; S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 2.83Å; A101-S103 VanDerWaalsContact C-N 3.35Å; A101-I104 WeakPolarHBondContact O-CB 3.37Å; A101-I104 PolarHBondContact O-N 3.43Å
102	T	25.7	Very low	25.2	Very low	84 Å²	84	109.3 Å²	109.3	52%	0.515	60%	0.601	S	S	.	*	H	α-helix	trans	-71.5	-26.1	173.8	44.2	0	0	0	0	113.1	L98 S99 I104 I105	L98-T102 PolarHBondContact O-N 2.93Å; L98-T102 PolarHBondContact O-OG1 3.3Å; S99-T102 VanDerWaalsContact CA-OG1 3.26Å; S99-T102 WeakPolarHBondContact CA-OG1 3.46Å; S99-T102 PolarHBondContact O-N 2.76Å; S99-T102 PolarHBondContact O-OG1 3.2Å; T102-I104 PolarHBondContact O-N 3.08Å; T102-I105 CarbonylContact O-C 3.55Å; T102-I105 WeakPolarHBondContact O-CA 3.44Å; T102-I105 PolarHBondContact O-N 3.3Å
103	S	26.5	Very low	24.9	Very low	82 Å²	82	110.8 Å²	110.8	57%	0.573	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-12.6	171	67.4	0	0	0	0	113.6	S99 S100 A101 I105	S99-S103 PolarHBondContact O-N 3.28Å; S100-S103 PolarHBondContact O-OG 2.78Å; A101-S103 VanDerWaalsContact C-N 3.35Å; S103-I105 VanDerWaalsContact C-N 3.26Å
104	I	25.5	Very low	24.5	Very low	145 Å²	145	118 Å²	118	74%	0.744	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-15.1	170.7	-58.7	171.5	0	0	0	110.7	A101 T102 E106	A101-I104 WeakPolarHBondContact O-CB 3.37Å; A101-I104 PolarHBondContact O-N 3.43Å; T102-I104 PolarHBondContact O-N 3.08Å; I104-E106 PolarHBondContact O-N 2.72Å
105	I	24.2	Very low	24.1	Very low	129 Å²	129	120.7 Å²	120.7	66%	0.662	64%	0.641	S	S	*	*			trans	-101.5	62	172.7	-46.3	176.8	0	0	0	107.5	T102 S103 P107	T102-I105 CarbonylContact O-C 3.55Å; T102-I105 WeakPolarHBondContact O-CA 3.44Å; T102-I105 PolarHBondContact O-N 3.3Å; S103-I105 VanDerWaalsContact C-N 3.26Å; I105-P107 WeakPolarHBondContact O-CD 3.35Å
106	E	21.7	Very low	23.6	Very low	160 Å²	160	123.8 Å²	123.8	75%	0.748	65%	0.652	S	S	*	*			trans	-60.9	124.5	161.8	-95.9	-175.5	162.6	0	0	107.9	I104 Y108	I104-E106 PolarHBondContact O-N 2.72Å; E106-Y108 PolarHBondContact O-N 3.08Å; E106-Y108 VanDerWaalsContact O-N 3.14Å
107	P	25.2	Very low	23.2	Very low	98 Å²	98	131.6 Å²	131.6	64%	0.636	67%	0.672	S	S	*	*			trans	-67.6	116.8	175.5	27.3	-29.3	0	0	0	106.8	I105 H109	I105-P107 WeakPolarHBondContact O-CD 3.35Å; P107-H109 PolarHBondContact O-N 2.91Å
108	Y	21.1	Very low	22.8	Very low	213 Å²	213	136.9 Å²	136.9	84%	0.835	69%	0.689	S	S	*	*			trans	-62.9	79.3	164.6	-89.5	-90.4	0	0	0	108.6	E106	E106-Y108 PolarHBondContact O-N 3.08Å; E106-Y108 VanDerWaalsContact O-N 3.14Å
109	H	22.6	Very low	22.2	Very low	167 Å²	167	137.7 Å²	137.7	77%	0.773	70%	0.704	S	S	*	*			trans	-88.8	11.1	175	-124.2	-63.3	0	0	0	111.7	P107	P107-H109 PolarHBondContact O-N 2.91Å
110	Q	21.9	Very low	21.8	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	72%	0.719	S	S	*	*			trans	-116.4	3.3	-170.7	-122.5	179.3	3.7	0	0	116	N112	Q110-N112 PolarHBondContact O-N 3.15Å
111	F	19.7	Very low	21.4	Very low	172 Å²	172	145.2 Å²	145.2	75%	0.754	73%	0.732	S	S	*	*			trans	-83.2	67.4	162.9	-99.2	-99.4	0	0	0	109.9	V113	F111-V113 HydrophobicContact CD1-CG2 3.46Å; F111-V113 VanDerWaalsContact CD1-CG2 3.46Å; F111-V113 HydrophobicContact CE1-CG2 3.97Å; F111-V113 PolarHBondContact O-N 3.31Å
112	N	19.2	Very low	21.1	Very low	147 Å²	147	147 Å²	147	79%	0.786	74%	0.741	S	S	*	*			trans	-67.5	71.1	152	-88.3	-17.2	0	0	0	107.7	Q110 Y114	Q110-N112 PolarHBondContact O-N 3.15Å; N112-Y114 PolarHBondContact O-N 2.82Å
113	V	20.6	Very low	20.8	Very low	109 Å²	109	149.2 Å²	149.2	66%	0.661	75%	0.75	S	S	*	*			trans	-77.4	90.1	158.8	172.8	0	0	0	0	105.5	F111 N115	F111-V113 HydrophobicContact CD1-CG2 3.46Å; F111-V113 VanDerWaalsContact CD1-CG2 3.46Å; F111-V113 HydrophobicContact CE1-CG2 3.97Å; F111-V113 PolarHBondContact O-N 3.31Å; V113-N115 PolarHBondContact O-N 3.3Å
114	Y	18.9	Very low	20.5	Very low	210 Å²	210	152.9 Å²	152.9	82%	0.824	76%	0.763	S	S	*	*			trans	28.8	97.1	145	-87.5	-96.3	0	0	0	115.3	N112 N116	N112-Y114 PolarHBondContact O-N 2.82Å; Y114-N116 PolarHBondContact O-N 3.26Å
115	N	18.2	Very low	20.2	Very low	151 Å²	151	153 Å²	153	81%	0.807	76%	0.764	S	S	*	*			trans	-38.9	122.1	144.1	-69.3	-32.8	0	0	0	109.3	V113	V113-N115 PolarHBondContact O-N 3.3Å
116	N	19.4	Very low	20.1	Very low	135 Å²	135	157.2 Å²	157.2	72%	0.722	77%	0.773	S	S	*	*			trans	167.9	57.6	146	-87.9	-7.6	0	0	0	110.4	Y114	Y114-N116 PolarHBondContact O-N 3.26Å
117	Y	18.4	Very low	20.1	Very low	237 Å²	237	155 Å²	155	93%	0.929	77%	0.767	S	S	*	*			trans	-143.8	135.2	153.8	-80	-67.6	0	0	0	110.1
118	E	18.5	Very low	20	Very low	171 Å²	171	154.9 Å²	154.9	80%	0.799	76%	0.761	S	S	*	*			trans	-66.9	154.2	-159	-67.6	156.7	146.2	0	0	112.9	I120	E118-I120 PolarHBondContact O-N 3.01Å
119	S	17.6	Very low	20.3	Very low	122 Å²	122	149 Å²	149	85%	0.853	75%	0.747	S	S	*	*			trans	-41.5	118.8	170.2	51.3	0	0	0	0	113.4
120	I	18.9	Very low	20.5	Very low	153 Å²	153	147 Å²	147	79%	0.785	74%	0.741	S	S	*	*			trans	-124.2	129.4	169.2	-60.3	175.6	0	0	0	109.9	E118	E118-I120 PolarHBondContact O-N 3.01Å
121	N	19.3	Very low	20.6	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	73%	0.727	S	S	*	*			trans	-66.6	115.6	-166.9	179.6	1.5	0	0	0	113.4	N123	N121-N123 PolarHBondContact OD1-N 3.2Å
122	C	19.8	Very low	21	Very low	87 Å²	87	140.1 Å²	140.1	59%	0.588	72%	0.717	S	S	*	*			trans	-112.4	52.2	179.6	-61.5	0	0	0	0	112.6	D50	D50-C122 PolarHBondContact OD2-SG 3.05Å
123	N	19	Very low	21.3	Very low	130 Å²	130	139.1 Å²	139.1	70%	0.695	71%	0.708	S	S	*	*			trans	-105.5	95.4	163.5	-81.4	-26.8	0	0	0	108.1	N121	N121-N123 PolarHBondContact OD1-N 3.2Å
124	N	20.1	Very low	21.5	Very low	159 Å²	159	139.6 Å²	139.6	85%	0.85	71%	0.705	S	S	*	*			trans	169.4	60	152.7	-86.1	-21.3	0	0	0	112.7
125	L	20.8	Very low	21.7	Very low	148 Å²	148	136.6 Å²	136.6	78%	0.775	70%	0.696	S	S	*	*			trans	-145.6	50.7	161.9	-76.9	177	0	0	0	110.6	D127	L125-D127 VanDerWaalsContact C-N 3.3Å; L125-D127 PolarHBondContact O-N 2.94Å
126	Y	20.7	Very low	22.1	Very low	216 Å²	216	136 Å²	136	85%	0.847	69%	0.689	S	S	*	*			trans	-87.4	73.2	161.6	-93.3	-86.8	0	0	0	108.5	N128	Y126-N128 PolarHBondContact O-N 3.15Å
127	D	22.1	Very low	22.3	Very low	114 Å²	114	136.2 Å²	136.2	61%	0.61	69%	0.685	S	S	*	*			trans	-90	89.9	169.8	-142.8	-31.7	0	0	0	108.5	L125 T129	L125-D127 VanDerWaalsContact C-N 3.3Å; L125-D127 PolarHBondContact O-N 2.94Å; D127-T129 VanDerWaalsContact CG-OG1 3.31Å; D127-T129 PolarHBondContact O-N 2.91Å; D127-T129 WeakPolarHBondContact OD1-CG2 3.38Å; D127-T129 PolarHBondContact OD1-OG1 3.44Å
128	N	24.1	Very low	22.6	Very low	95 Å²	95	129.1 Å²	129.1	51%	0.508	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	6.9	178.2	-79.1	-38.9	0	0	0	113.7	Y126 N132	Y126-N128 PolarHBondContact O-N 3.15Å; N128-N132 PolarHBondContact O-N 3.05Å; N128-N132 PolarHBondContact O-ND2 3.36Å
129	T	27.4	Very low	22.9	Very low	90 Å²	90	127.4 Å²	127.4	55%	0.552	67%	0.667	S	S	*	*	H	α-helix	trans	-71	-36.1	176.6	46	0	0	0	0	112.3	D127 N132 H133	D127-T129 VanDerWaalsContact CG-OG1 3.31Å; D127-T129 PolarHBondContact O-N 2.91Å; D127-T129 WeakPolarHBondContact OD1-CG2 3.38Å; D127-T129 PolarHBondContact OD1-OG1 3.44Å; T129-N132 PolarHBondContact O-N 2.91Å; T129-H133 WeakPolarHBondContact O-CB 3.44Å; T129-H133 PolarHBondContact O-N 3.41Å
130	L	25.9	Very low	23.2	Very low	124 Å²	124	129 Å²	129	65%	0.649	66%	0.66	S	S	*	*	H	α-helix	trans	-71.9	-37.4	-177.3	-169.3	64.8	0	0	0	113.3	H133 I134	L130-H133 PolarHBondContact O-N 3.48Å; L130-I134 HydrophobicContact CG-CD1 4.44Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.34Å
131	I	25	Very low	23.4	Very low	103 Å²	103	129.1 Å²	129.1	53%	0.528	66%	0.662	S	S	.	*	H	α-helix	trans	-71.4	-36.4	177.3	-65.6	176.4	0	0	0	110.8	K135	I131-K135 PolarHBondContact O-N 3.46Å
132	N	27.4	Very low	23.6	Very low	104 Å²	104	129.8 Å²	129.8	56%	0.556	67%	0.665	S	S	*	*	H	α-helix	trans	-73.1	-31.7	176.8	-72.7	-18.7	0	0	0	112.3	N128 T129 K135 H136	N128-N132 PolarHBondContact O-N 3.05Å; N128-N132 PolarHBondContact O-ND2 3.36Å; T129-N132 PolarHBondContact O-N 2.91Å; N132-K135 PolarHBondContact O-N 3.41Å; N132-H136 PolarHBondContact O-N 2.94Å
133	H	25.5	Very low	23.8	Very low	126 Å²	126	132.9 Å²	132.9	58%	0.583	68%	0.676	S	S	*	*	H	α-helix	trans	-65.5	-42.4	174.4	-132.6	53.5	0	0	0	111.9	T129 L130 K135 H136 E137	T129-H133 WeakPolarHBondContact O-CB 3.44Å; T129-H133 PolarHBondContact O-N 3.41Å; L130-H133 PolarHBondContact O-N 3.48Å; H133-K135 VanDerWaalsContact C-N 3.31Å; H133-K135 PolarHBondContact O-N 3.02Å; H133-H136 PolarHBondContact O-N 2.89Å; H133-E137 PolarHBondContact O-N 3.11Å
134	I	23.7	Very low	24	Very low	118 Å²	118	134.4 Å²	134.4	61%	0.605	68%	0.684	S	S	*	*	H	α-helix	trans	-67.3	-32.6	178	-64.1	168.6	0	0	0	111.5	L130	L130-I134 HydrophobicContact CG-CD1 4.44Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.34Å
135	K	24.6	Very low	24.1	Very low	148 Å²	148	134.8 Å²	134.8	64%	0.643	69%	0.685	S	S	*	*	H	α-helix	trans	-75.2	-30	176	-77.7	-175.4	177	-179.6	0	113.6	I131 N132 H133	I131-K135 PolarHBondContact O-N 3.46Å; N132-K135 PolarHBondContact O-N 3.41Å; H133-K135 VanDerWaalsContact C-N 3.31Å; H133-K135 PolarHBondContact O-N 3.02Å
136	H	25.9	Very low	24.1	Very low	139 Å²	139	133.3 Å²	133.3	64%	0.644	68%	0.684	S	S	*	*	H	α-helix	trans	-81.5	-27.1	-177.2	-150.1	-76.8	0	0	0	113.3	N132 H133	N132-H136 PolarHBondContact O-N 2.94Å; H133-H136 PolarHBondContact O-N 2.89Å
137	E	24	Very low	24.2	Very low	139 Å²	139	131.1 Å²	131.1	65%	0.65	69%	0.686	S	S	*	*	H	α-helix	trans	-81.8	-15.4	178.3	-72	-166.5	151.2	0	0	114.1	H133 N139	H133-E137 PolarHBondContact O-N 3.11Å; E137-N139 PolarHBondContact O-N 3.39Å
138	S	24.7	Very low	24.2	Very low	88 Å²	88	134.2 Å²	134.2	62%	0.615	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-12.6	178.2	-177.3	0	0	0	0	114.2
139	N	24.4	Very low	24	Very low	135 Å²	135	138.2 Å²	138.2	72%	0.722	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	1.4	-168.8	-75.7	-6.5	0	0	0	116	E137	E137-N139 PolarHBondContact O-N 3.39Å
140	H	24.5	Very low	23.8	Very low	156 Å²	156	138.3 Å²	138.3	72%	0.722	72%	0.723	S	S	*	*	S	Bend	trans	-113.2	13.7	-179.9	-94.3	-66.6	0	0	0	115.6	N142	H140-N142 VanDerWaalsContact C-N 3.32Å; H140-N142 PolarHBondContact O-N 3.21Å
141	L	23.2	Very low	23.4	Very low	155 Å²	155	139.1 Å²	139.1	81%	0.812	73%	0.733	S	S	*	*	S	Bend	trans	-85.2	8.4	179.3	-85.8	167.6	0	0	0	115.7
142	N	23.2	Very low	23.3	Very low	151 Å²	151	141.4 Å²	141.4	81%	0.807	75%	0.745	S	S	*	*			trans	-124.6	85.7	174.3	-86.4	-13.9	0	0	0	109.8	H140	H140-N142 VanDerWaalsContact C-N 3.32Å; H140-N142 PolarHBondContact O-N 3.21Å
143	D	24.8	Very low	23	Very low	153 Å²	153	145 Å²	145	82%	0.818	76%	0.758	S	S	*	*			trans	-156.2	111	146	-88.3	-34.7	0	0	0	109.8	L145	D143-L145 PolarHBondContact O-N 2.7Å
144	N	22.7	Very low	22.8	Very low	161 Å²	161	148.9 Å²	148.9	86%	0.861	77%	0.774	S	S	*	*			trans	-71.4	113.2	170.6	-70.9	-60	0	0	0	109.1
145	L	21.4	Very low	22.7	Very low	167 Å²	167	150.7 Å²	150.7	87%	0.874	79%	0.785	S	S	*	*			trans	-145.4	143.6	155.4	-108.4	113.8	0	0	0	112.4	D143	D143-L145 PolarHBondContact O-N 2.7Å
146	P	22	Very low	22.5	Very low	117 Å²	117	151.2 Å²	151.2	76%	0.76	79%	0.789	S	S	*	*			trans	-99.6	165.8	-155.1	11.7	10.6	0	0	0	114.1
147	L	21.3	Very low	22.4	Very low	171 Å²	171	150.5 Å²	150.5	90%	0.895	80%	0.8	S	S	*	*			trans	-35.9	125	171	-86.8	69.5	0	0	0	114.7
148	E	21.9	Very low	22.1	Very low	178 Å²	178	151.5 Å²	151.5	83%	0.832	80%	0.802	S	S	*	*			trans	-165.5	125.2	134.2	-110.3	168.4	-173.3	0	0	111.1
149	E	21.4	Very low	22	Very low	179 Å²	179	156.3 Å²	156.3	84%	0.836	82%	0.815	S	S	*	*			trans	50.7	101.6	150.5	-59.1	-177.2	167.5	0	0	121
150	A	22.8	Very low	21.9	Very low	92 Å²	92	155.6 Å²	155.6	76%	0.76	82%	0.815	S	S	*	*			trans	-136.2	81.3	152.9	0	0	0	0	0	110.6	I152	A150-I152 PolarHBondContact O-N 3.19Å
151	T	18.2	Very low	21.7	Very low	141 Å²	141	158.6 Å²	158.6	87%	0.865	82%	0.822	S	S	*	*			trans	-67.8	107.7	158.1	38.3	0	0	0	0	108.8
152	I	22.8	Very low	21.5	Very low	152 Å²	152	156.4 Å²	156.4	78%	0.779	82%	0.819	S	S	*	*			trans	-108.7	122	171.5	-64.1	175	0	0	0	108.4	A150	A150-I152 PolarHBondContact O-N 3.19Å
153	Q	20.5	Very low	21.5	Very low	180 Å²	180	156 Å²	156	84%	0.841	82%	0.817	S	S	*	*			trans	-62.5	140.8	-177.5	-74.2	170.6	-81.4	0	0	112.2	D155	Q153-D155 PolarHBondContact O-N 3Å
154	F	20.5	Very low	21.4	Very low	207 Å²	207	157.6 Å²	157.6	91%	0.908	82%	0.819	S	S	*	*			trans	-74.2	109.8	167.1	-90.2	-99.6	0	0	0	109.2
155	D	22.5	Very low	21.2	Very low	155 Å²	155	161.4 Å²	161.4	83%	0.829	82%	0.821	S	S	*	*			trans	-78.9	129.4	169.5	-92.6	-33.1	0	0	0	111.3	Q153 S157	Q153-D155 PolarHBondContact O-N 3Å; D155-S157 PolarHBondContact O-N 2.85Å
156	E	21	Very low	21.3	Very low	159 Å²	159	158.4 Å²	158.4	74%	0.743	82%	0.815	S	S	*	*			trans	-73.6	115.1	176.5	-63.3	-174.9	134.9	0	0	110.5
157	S	22.3	Very low	21.3	Very low	124 Å²	124	158.6 Å²	158.6	87%	0.867	81%	0.809	S	S	*	*			trans	-107.1	85.4	163.2	-40.4	0	0	0	0	109	D155	D155-S157 PolarHBondContact O-N 2.85Å
158	K	18.7	Very low	21.4	Very low	161 Å²	161	157.7 Å²	157.7	70%	0.7	81%	0.805	S	S	*	*			trans	-84.8	159.4	161.6	-81.7	172.5	179.3	153.3	0	109.1
159	E	21.4	Very low	21.3	Very low	188 Å²	188	155.9 Å²	155.9	88%	0.879	80%	0.801	S	S	*	*			trans	79.5	127.3	175.7	-50.8	-176.2	152.8	0	0	112.4
160	V	23.1	Very low	21.4	Very low	120 Å²	120	154.6 Å²	154.6	73%	0.727	80%	0.8	S	S	*	*			cis	-157.4	126.9	37.5	170.2	0	0	0	0	106.2
161	Y	20.8	Very low	21.3	Very low	220 Å²	220	154.8 Å²	154.8	86%	0.863	80%	0.796	S	S	*	*			trans	174.9	76.9	137.2	-108.8	-83.7	0	0	0	108.9
162	S	19.3	Very low	21.4	Very low	108 Å²	108	154.9 Å²	154.9	76%	0.755	79%	0.791	S	S	*	*			trans	-97.3	113.1	159.9	-48.2	0	0	0	0	105.7
163	N	21.6	Very low	21.4	Very low	143 Å²	143	156.6 Å²	156.6	77%	0.765	79%	0.794	S	S	*	*			trans	171.9	98.9	152.7	-88.2	-21.2	0	0	0	109.9
164	H	23.9	Very low	21.4	Very low	187 Å²	187	156.7 Å²	156.7	87%	0.866	80%	0.799	S	S	*	*				174.3	78.5	129.4	-91.4	-64	0	0	0	107.8	S166	H164-S166 PolarHBondContact O-N 3.03Å
165	R	18.5	Very low	21.5	Very low	240 Å²	240	152.3 Å²	152.3	91%	0.906	78%	0.783	S	S	*	*			trans	-91.1	84.8	166.1	-166.4	178.7	-169.2	179.4	2.5	106.4
166	S	23.6	Very low	21.4	Very low	105 Å²	105	151.2 Å²	151.2	73%	0.734	78%	0.778	S	S	*	*			trans	-88.4	107.5	166.4	53.8	0	0	0	0	108.3	H164 N168	H164-S166 PolarHBondContact O-N 3.03Å; S166-N168 PolarHBondContact O-N 3.42Å
167	N	21.5	Very low	21.5	Very low	121 Å²	121	148.6 Å²	148.6	65%	0.647	78%	0.777	S	S	*	*			trans	-47.1	121.9	163.8	-73.9	-27.6	0	0	0	110.1
168	N	22.3	Very low	21.5	Very low	152 Å²	152	146.6 Å²	146.6	81%	0.813	76%	0.763	S	S	*	*			trans	-134.6	85.8	147	-99.6	-12.3	0	0	0	106.8	S166 N170	S166-N168 PolarHBondContact O-N 3.42Å; N168-N170 VanDerWaalsContact C-N 3.34Å; N168-N170 PolarHBondContact O-N 3.47Å; N168-N170 VanDerWaalsContact O-N 3.15Å
169	N	21.4	Very low	21.8	Very low	139 Å²	139	147.1 Å²	147.1	74%	0.743	77%	0.767	S	S	*	*			trans	-67.9	96.7	159.8	-68.5	-23.8	0	0	0	106.6
170	N	22.1	Very low	21.9	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	76%	0.764	S	S	*	*			trans	-133.8	72.7	159.3	-87.5	-13.1	0	0	0	106.7	N168	N168-N170 VanDerWaalsContact C-N 3.34Å; N168-N170 PolarHBondContact O-N 3.47Å; N168-N170 VanDerWaalsContact O-N 3.15Å
171	S	20.7	Very low	21.9	Very low	96 Å²	96	147.5 Å²	147.5	67%	0.671	77%	0.765	S	S	*	*			trans	-75.6	145.6	148.7	49.4	0	0	0	0	107.6
172	D	21.8	Very low	22.1	Very low	143 Å²	143	144.5 Å²	144.5	77%	0.765	76%	0.764	S	S	*	*			trans	90.7	74.5	174	-50.8	-24.2	0	0	0	115.9
173	F	22.4	Very low	22.4	Very low	188 Å²	188	144 Å²	144	83%	0.825	76%	0.76	S	S	*	*			trans	-153.1	82.2	133	-105.4	-71.1	0	0	0	109	I175	F173-I175 VanDerWaalsContact C-N 3.26Å; F173-I175 HydrophobicContact CB-CG1 4.38Å; F173-I175 HydrophobicContact CD1-CD1 3.58Å; F173-I175 HydrophobicContact CD1-CG1 3.42Å; F173-I175 VanDerWaalsContact CD1-CG1 3.42Å; F173-I175 HydrophobicContact CE1-CD1 3.97Å; F173-I175 HydrophobicContact CE1-CG1 4.11Å; F173-I175 HydrophobicContact CG-CD1 4.41Å; F173-I175 HydrophobicContact CG-CG1 4.3Å; F173-I175 PolarHBondContact O-N 2.77Å; F173-I175 VanDerWaalsContact O-N 3.14Å
174	L	20.8	Very low	22.4	Very low	182 Å²	182	145.5 Å²	145.5	95%	0.953	76%	0.756	S	S	*	*			trans	-72.4	86.8	156.5	-77.2	164.2	0	0	0	106.9
175	I	21.7	Very low	22.3	Very low	114 Å²	114	144.9 Å²	144.9	59%	0.585	76%	0.756	S	S	*	*			trans	-92.2	102.8	164.4	-56.1	-175.2	0	0	0	107.1	F173 S177	F173-I175 VanDerWaalsContact C-N 3.26Å; F173-I175 HydrophobicContact CB-CG1 4.38Å; F173-I175 HydrophobicContact CD1-CD1 3.58Å; F173-I175 HydrophobicContact CD1-CG1 3.42Å; F173-I175 VanDerWaalsContact CD1-CG1 3.42Å; F173-I175 HydrophobicContact CE1-CD1 3.97Å; F173-I175 HydrophobicContact CE1-CG1 4.11Å; F173-I175 HydrophobicContact CG-CD1 4.41Å; F173-I175 HydrophobicContact CG-CG1 4.3Å; F173-I175 PolarHBondContact O-N 2.77Å; F173-I175 VanDerWaalsContact O-N 3.14Å; I175-S177 PolarHBondContact O-N 2.97Å
176	D	21.4	Very low	22.7	Very low	133 Å²	133	139.4 Å²	139.4	71%	0.711	75%	0.749	S	S	*	*			trans	-51.8	99.3	161.6	-173.7	5.3	0	0	0	109.6	S178	D176-S178 WeakPolarHBondContact OD1-CB 3.35Å; D176-S178 PolarHBondContact OD1-N 3.39Å; D176-S178 PolarHBondContact OD1-OG 2.9Å
177	S	23.2	Very low	22.7	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	74%	0.743	S	S	*	*			trans	-114.3	57.5	172.1	-61.6	0	0	0	0	108.9	I175 H179	I175-S177 PolarHBondContact O-N 2.97Å; S177-H179 VanDerWaalsContact C-N 3.28Å
178	S	22	Very low	22.8	Very low	83 Å²	83	139.5 Å²	139.5	58%	0.58	75%	0.748	S	S	*	*			trans	-85.9	11.8	174.6	51.4	0	0	0	0	113.8	D176	D176-S178 WeakPolarHBondContact OD1-CB 3.35Å; D176-S178 PolarHBondContact OD1-N 3.39Å; D176-S178 PolarHBondContact OD1-OG 2.9Å
179	H	24.3	Very low	22.9	Very low	171 Å²	171	140.3 Å²	140.3	79%	0.792	75%	0.752	S	S	*	*	S	Bend	trans	-120.7	18.8	-169.9	-96.6	-63.1	0	0	0	118	S177	S177-H179 VanDerWaalsContact C-N 3.28Å
180	H	24.6	Very low	22.9	Very low	174 Å²	174	138.9 Å²	138.9	81%	0.806	75%	0.748	S	S	*	*	S	Bend	trans	-126.9	12.2	-177.6	-112.8	-58	0	0	0	118.7
181	L	22.2	Very low	23	Very low	143 Å²	143	136.7 Å²	136.7	75%	0.749	74%	0.742	S	S	*	*	S	Bend	trans	-108.1	-4	177	-88.8	159.9	0	0	0	116	S183	L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 3.43Å
182	D	24.4	Very low	23.1	Very low	157 Å²	157	141.5 Å²	141.5	84%	0.84	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-3.5	179.4	-77.5	-17.7	0	0	0	114.8
183	S	27	Very low	23.2	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-0.6	178	-167.3	0	0	0	0	114.6	L181	L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 3.43Å
184	Y	21.8	Very low	23.3	Very low	176 Å²	176	136.3 Å²	136.3	69%	0.69	73%	0.734	S	S	*	*	S	Bend	trans	-99.4	-2.2	-179	-140.1	-95.9	0	0	0	113.8
185	M	21.1	Very low	23.6	Very low	174 Å²	174	135 Å²	135	86%	0.857	72%	0.722	S	S	*	*	S	Bend	trans	-89.3	-2.2	179.8	-75.1	-67.2	179.5	0	0	114.2
186	T	26.2	Very low	23.9	Very low	125 Å²	125	135.1 Å²	135.1	77%	0.767	73%	0.728	S	S	*	*	S	Bend	trans	-98.2	6.1	-173	12.6	0	0	0	0	116.1
187	S	24.3	Very low	24.2	Very low	87 Å²	87	137.9 Å²	137.9	61%	0.608	73%	0.734	S	S	*	*	S	Bend	trans	-130.4	8.5	-173.5	60.8	0	0	0	0	117.3
188	L	22.5	Very low	24.2	Very low	141 Å²	141	137.2 Å²	137.2	74%	0.738	73%	0.728	S	S	*	*			trans	-100.6	93.9	172.6	-72.6	166.4	0	0	0	110.3	V190	L188-V190 HydrophobicContact CB-CG2 4.44Å; L188-V190 PolarHBondContact O-N 3.44Å
189	N	24.6	Very low	24.3	Very low	168 Å²	168	139.4 Å²	139.4	90%	0.898	73%	0.734	S	S	*	*			trans	-56.5	87.1	160.3	-85.3	-28.5	0	0	0	108.9	P191	N189-P191 WeakPolarHBondContact O-CD 2.89Å
190	V	22.1	Very low	24.4	Very low	109 Å²	109	136.2 Å²	136.2	66%	0.661	73%	0.728	S	S	*	*			trans	-82	118.1	171.9	-179.8	0	0	0	0	107.5	L188	L188-V190 HydrophobicContact CB-CG2 4.44Å; L188-V190 PolarHBondContact O-N 3.44Å
191	P	23.5	Very low	24.5	Very low	108 Å²	108	137.9 Å²	137.9	70%	0.701	73%	0.729	S	S	*	*			trans	-63.1	144.5	-178.9	23.5	-30.9	0	0	0	111.4	N189 I193	N189-P191 WeakPolarHBondContact O-CD 2.89Å; P191-I193 PolarHBondContact O-N 2.92Å
192	E	23.5	Very low	24.6	Very low	197 Å²	197	142.6 Å²	142.6	92%	0.921	74%	0.737	S	S	*	*			trans	-44.7	117.5	179.9	-74.5	177	146.2	0	0	111.6	D194	E192-D194 PolarHBondContact O-N 3.44Å
193	I	24.1	Very low	24.7	Very low	114 Å²	114	139.4 Å²	139.4	59%	0.585	73%	0.727	S	S	*	*			trans	-78.5	109.6	177.8	-63.6	173.8	0	0	0	107.5	P191 H195	P191-I193 PolarHBondContact O-N 2.92Å; I193-H195 PolarHBondContact O-CD2 2.93Å; I193-H195 VanDerWaalsContact O-CD2 3.3Å; I193-H195 PolarHBondContact O-N 2.93Å
194	D	24.3	Very low	24.7	Very low	107 Å²	107	141.8 Å²	141.8	57%	0.572	73%	0.732	S	S	*	*			trans	-59.4	105.4	168.7	-178.3	-6.5	0	0	0	109.8	E192 T196	E192-D194 PolarHBondContact O-N 3.44Å; D194-T196 VanDerWaalsContact CG-OG1 3.24Å; D194-T196 PolarHBondContact O-N 3.31Å; D194-T196 WeakPolarHBondContact OD1-CB 3.4Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.42Å; D194-T196 PolarHBondContact OD1-N 2.87Å; D194-T196 VanDerWaalsContact OD1-N 3.15Å; D194-T196 PolarHBondContact OD1-OG1 3.38Å; D194-T196 PolarHBondContact OD2-OG1 2.92Å
195	H	26.5	Very low	24.8	Very low	155 Å²	155	141.2 Å²	141.2	72%	0.718	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-67.3	-1.2	-175	-74.5	-74.2	0	0	0	114.3	I193 K197	I193-H195 PolarHBondContact O-CD2 2.93Å; I193-H195 VanDerWaalsContact O-CD2 3.3Å; I193-H195 PolarHBondContact O-N 2.93Å; H195-K197 PolarHBondContact O-N 3.33Å
196	T	28.8	Very low	24.8	Very low	116 Å²	116	138.4 Å²	138.4	71%	0.712	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-74.9	-8.2	177.8	60.7	0	0	0	0	114.3	D194	D194-T196 VanDerWaalsContact CG-OG1 3.24Å; D194-T196 PolarHBondContact O-N 3.31Å; D194-T196 WeakPolarHBondContact OD1-CB 3.4Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.42Å; D194-T196 PolarHBondContact OD1-N 2.87Å; D194-T196 VanDerWaalsContact OD1-N 3.15Å; D194-T196 PolarHBondContact OD1-OG1 3.38Å; D194-T196 PolarHBondContact OD2-OG1 2.92Å
197	K	26.7	Very low	24.7	Very low	191 Å²	191	140.2 Å²	140.2	83%	0.83	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-106.7	7.4	178.4	-71.3	-176.6	-179.3	172.7	0	115.4	H195	H195-K197 PolarHBondContact O-N 3.33Å
198	C	22.8	Very low	24.7	Very low	89 Å²	89	143.9 Å²	143.9	60%	0.601	75%	0.747	S	S	*	*			trans	-82.2	119.2	175.6	-76.4	0	0	0	0	111.6
199	N	25	Very low	24.7	Very low	130 Å²	130	145 Å²	145	70%	0.695	75%	0.754	S	S	*	*			trans	-62.1	128.1	176.1	-171.2	-12.1	0	0	0	110.5	Y201	N199-Y201 VanDerWaalsContact C-N 3.25Å; N199-Y201 PolarHBondContact O-N 3.18Å
200	P	26.8	Very low	24.6	Very low	104 Å²	104	147.4 Å²	147.4	68%	0.675	75%	0.752	S	S	*	*	S	Bend	trans	-75.5	15.1	-158.2	-14.2	30.2	0	0	0	117.4	W202	P200-W202 VanDerWaalsContact C-N 3.29Å; P200-W202 PolarHBondContact O-N 3.04Å
201	Y	25.8	Very low	24.6	Very low	209 Å²	209	149.9 Å²	149.9	82%	0.82	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	14.2	-169.5	-105.5	-78.8	0	0	0	116.3	N199	N199-Y201 VanDerWaalsContact C-N 3.25Å; N199-Y201 PolarHBondContact O-N 3.18Å
202	W	25.8	Very low	24.4	Very low	242 Å²	242	149.9 Å²	149.9	92%	0.917	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	12	-178.7	-73.1	55.8	0	0	0	114	P200 D204	P200-W202 VanDerWaalsContact C-N 3.29Å; P200-W202 PolarHBondContact O-N 3.04Å; W202-D204 VanDerWaalsContact C-N 3.32Å; W202-D204 PolarHBondContact O-N 3.4Å
203	S	26.6	Very low	24.3	Very low	90 Å²	90	148.8 Å²	148.8	63%	0.629	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-74.5	-14.6	178.3	57.7	0	0	0	0	115
204	D	26.3	Very low	24.3	Very low	145 Å²	145	150 Å²	150	78%	0.775	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-100.7	8.8	-167.3	-68.2	-1	0	0	0	114.7	W202	W202-D204 VanDerWaalsContact C-N 3.32Å; W202-D204 PolarHBondContact O-N 3.4Å
205	L	23.6	Very low	24.2	Very low	164 Å²	164	155.4 Å²	155.4	86%	0.859	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-104.7	2.1	179.2	-112.7	88.7	0	0	0	116.1
206	C	21.3	Very low	23.9	Very low	115 Å²	115	155.9 Å²	155.9	78%	0.777	77%	0.773	S	S	*	*			trans	-132.1	68	-177.7	-66.7	0	0	0	0	112.7
207	I	24.7	Very low	23.5	Very low	163 Å²	163	156.4 Å²	156.4	84%	0.836	77%	0.772	S	S	*	*			trans	-133.2	91.8	152.9	-58.7	-177.9	0	0	0	108.5
208	E	22.8	Very low	23.4	Very low	164 Å²	164	153.8 Å²	153.8	77%	0.766	77%	0.772	S	S	*	*			trans	18.7	132.8	137.7	-63	-177.3	153.4	0	0	120.4	Y210	E208-Y210 PolarHBondContact O-N 3.03Å; E208-Y210 VanDerWaalsContact O-N 3.13Å
209	N	22.3	Very low	23.3	Very low	164 Å²	164	157.3 Å²	157.3	88%	0.877	78%	0.784	S	S	*	*			trans	-49.2	108	156.1	-57.3	-64.5	0	0	0	110.8
210	Y	22.4	Very low	23.1	Very low	219 Å²	219	158.9 Å²	158.9	86%	0.859	79%	0.791	S	S	*	*			trans	-136.1	143.3	159	-117.1	-92.9	0	0	0	112	E208	E208-Y210 PolarHBondContact O-N 3.03Å; E208-Y210 VanDerWaalsContact O-N 3.13Å
211	H	22.8	Very low	22.9	Very low	161 Å²	161	160.9 Å²	160.9	75%	0.745	80%	0.796	S	S	*	*			trans	-67.3	146.8	-157.2	-132.6	-103.7	0	0	0	114.2
212	P	19.7	Very low	22.8	Very low	109 Å²	109	158.1 Å²	158.1	71%	0.708	80%	0.796	S	S	*	*			trans	-91.4	109.2	171	33.5	-24.6	0	0	0	109.5
213	E	20.7	Very low	22.5	Very low	173 Å²	173	152.8 Å²	152.8	81%	0.808	79%	0.794	S	S	*	*			trans	-174	147.4	155.2	-107.9	163.1	-156.1	0	0	110.7
214	I	23.7	Very low	22.2	Very low	141 Å²	141	153.6 Å²	153.6	72%	0.723	80%	0.8	S	S	*	*			trans	77.6	89.5	168.3	-23	-177.5	0	0	0	118
215	Y	22.1	Very low	22	Very low	219 Å²	219	152.6 Å²	152.6	86%	0.859	80%	0.799	S	S	*	*				175.3	113.5	104.4	-109.1	-84.1	0	0	0	109.9
216	H	20.7	Very low	22	Very low	165 Å²	165	157 Å²	157	76%	0.764	80%	0.804	S	S	*	*			trans	-82.7	144	165.9	-135.9	-80.9	0	0	0	107.5
217	N	21.5	Very low	22.1	Very low	127 Å²	127	160.9 Å²	160.9	68%	0.679	81%	0.808	S	S	*	*			trans	75.9	97.3	162.1	-50.5	-29.1	0	0	0	117.7
218	T	23.1	Very low	22	Very low	136 Å²	136	161.5 Å²	161.5	83%	0.834	81%	0.808	S	S	*	*				160.8	89.6	123	34.7	0	0	0	0	108.5
219	L	21.8	Very low	22.1	Very low	164 Å²	164	160.3 Å²	160.3	86%	0.859	81%	0.811	S	S	*	*			trans	-163.5	35.5	162.2	-105.7	159.1	0	0	0	111.4
220	L	20.9	Very low	22	Very low	162 Å²	162	158.1 Å²	158.1	85%	0.848	81%	0.809	S	S	*	*			trans	-90.7	109.7	143.6	-85.6	97.7	0	0	0	104.4
221	D	22.4	Very low	22.1	Very low	146 Å²	146	152.3 Å²	152.3	78%	0.781	80%	0.8	S	S	*	*	S	Bend	trans	175.2	-6.1	141.6	-89.1	-10.7	0	0	0	116.4
222	N	23.5	Very low	22	Very low	151 Å²	151	150.2 Å²	150.2	81%	0.807	80%	0.804	S	S	*	*			trans	-103.2	12.9	-174.7	-75.1	-16.5	0	0	0	117	S224	N222-S224 PolarHBondContact O-N 3.4Å
223	C	20.2	Very low	22.4	Very low	131 Å²	131	151.4 Å²	151.4	89%	0.885	81%	0.81	S	S	*	*			trans	-95.4	66.4	172.3	-71.9	0	0	0	0	111
224	S	20.6	Very low	22.4	Very low	106 Å²	106	148.8 Å²	148.8	74%	0.741	81%	0.81	S	S	*	*			trans	-151.4	28.9	176.2	-73.9	0	0	0	0	115.6	N222	N222-S224 PolarHBondContact O-N 3.4Å
225	T	22.1	Very low	22.7	Very low	124 Å²	124	147.6 Å²	147.6	76%	0.761	81%	0.811	S	S	*	*			trans	-157.2	107.7	163.3	46.7	0	0	0	0	109.7
226	W	22.8	Very low	22.9	Very low	257 Å²	257	143 Å²	143	97%	0.973	81%	0.809	S	S	*	*			trans	-171.8	87	136	-89.9	3.1	0	0	0	108.3
227	K	22.9	Very low	23.2	Very low	197 Å²	197	140.5 Å²	140.5	86%	0.857	81%	0.81	S	S	*	*			trans	-72.4	126.4	160.9	-82.1	178.2	173.3	177.4	0	108.4
228	Q	22.8	Very low	23.6	Very low	176 Å²	176	140.7 Å²	140.7	82%	0.822	82%	0.818	S	S	*	*			trans	36.6	102.6	137.2	-61.8	-177.2	-10.2	0	0	117.6
229	T	24.8	Very low	23.7	Very low	138 Å²	138	139.2 Å²	139.2	85%	0.847	81%	0.813	S	S	*	*			trans	-127	88.8	147.9	43.6	0	0	0	0	108.5
230	S	20	Very low	23.8	Very low	119 Å²	119	143.1 Å²	143.1	83%	0.832	82%	0.817	S	S	*	*			trans	-81.5	104.7	161.1	50.6	0	0	0	0	107.9
231	S	24.7	Very low	24.3	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	82%	0.819	S	S	*	*			trans	-141.5	106	163.7	57	0	0	0	0	109.1	T233	S231-T233 PolarHBondContact O-N 2.78Å
232	S	21.7	Very low	24.5	Very low	118 Å²	118	140.2 Å²	140.2	83%	0.825	82%	0.821	S	S	*	*			trans	-57	119	164.6	50.1	0	0	0	0	110.8
233	T	27.1	Very low	24.8	Very low	134 Å²	134	138.2 Å²	138.2	82%	0.822	82%	0.819	S	S	*	*			trans	-142.5	111	159.5	35.7	0	0	0	0	108.8	S231	S231-T233 PolarHBondContact O-N 2.78Å
234	S	21.5	Very low	25.3	Very low	117 Å²	117	137.3 Å²	137.3	82%	0.818	81%	0.814	S	S	*	*			trans	-130.2	157.2	161.1	-32.5	0	0	0	0	105
235	P	30.1	Very low	25.5	Very low	116 Å²	116	138 Å²	138	75%	0.753	82%	0.819	S	S	*	*			cis	-121.6	-171.6	-15.5	40.1	-22.1	0	0	0	110.2
236	P	26.3	Very low	26.1	Very low	124 Å²	124	137.7 Å²	137.7	81%	0.805	82%	0.819	S	S	*	*				-147.9	151.9	83.4	33.8	-13.2	0	0	0	115.4
237	S	26.2	Very low	26.5	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.9	139	173.8	-48.1	0	0	0	0	112.3
238	P	29.8	Very low	26.9	Very low	130 Å²	130	127.2 Å²	127.2	84%	0.844	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-84.5	137.9	166.1	0.6	17.8	0	0	0	111.2
239	S	25.9	Very low	27.2	Very low	106 Å²	106	124.9 Å²	124.9	74%	0.741	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-80.5	148.3	-180	50.2	0	0	0	0	114.2
240	R	24.2	Very low	27.2	Very low	246 Å²	246	124.8 Å²	124.8	93%	0.928	80%	0.804	S	S	*	*			trans	43.4	120	140.6	-87.8	176.1	167	-160	-2.7	119.1
241	S	30.9	Very low	27.5	Very low	128 Å²	128	125.5 Å²	125.5	90%	0.895	80%	0.803	S	S	*	*				-153.5	142.4	123.6	52.6	0	0	0	0	111
242	S	25.5	Very low	27.5	Very low	118 Å²	118	128 Å²	128	83%	0.825	82%	0.815	S	S	*	*			trans	-111.8	131.3	-167.8	45.8	0	0	0	0	109.8
243	S	30.9	Very low	27.7	Very low	109 Å²	109	128.6 Å²	128.6	76%	0.762	81%	0.814	S	S	*	*			trans	-148.7	100.1	160.4	49.6	0	0	0	0	107.3
244	S	29.6	Very low	27.5	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	82%	0.818	S	S	*	*				75.3	98.3	97.8	68.6	0	0	0	0	113.2
245	S	25.5	Very low	27.6	Very low	120 Å²	120	126.7 Å²	126.7	84%	0.839	82%	0.818	S	S	*	*			trans	-69.5	161.5	173.6	-33.8	0	0	0	0	113.4
246	P	35.5	Very low	27.2	Very low	118 Å²	118	125 Å²	125	77%	0.766	82%	0.815	S	S	*	*				-125.3	159.2	127.6	30.3	-17.3	0	0	0	112.3
247	P	30.7	Very low	27.1	Very low	122 Å²	122	124.8 Å²	124.8	79%	0.792	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-88.9	168.1	-164.4	36.4	-35.2	0	0	0	114.6
248	P	31.5	Very low	26.9	Very low	112 Å²	112	127.2 Å²	127.2	73%	0.727	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-94.2	163.9	-166.9	37.4	-33.9	0	0	0	114.2
249	P	28.7	Very low	26.5	Very low	127 Å²	127	126.8 Å²	126.8	83%	0.825	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80.1	132.9	170	31.6	-30.3	0	0	0	111.5
250	T	24.9	Very low	26.2	Very low	136 Å²	136	128.4 Å²	128.4	83%	0.834	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78.5	119	175.4	47.2	0	0	0	0	111.3
251	T	26.5	Very low	26	Very low	135 Å²	135	125.1 Å²	125.1	83%	0.828	79%	0.794	S	S	*	*			trans	-139.8	120.1	151	44.5	0	0	0	0	109.8
252	T	23.8	Very low	25.6	Very low	148 Å²	148	122.8 Å²	122.8	91%	0.908	78%	0.778	S	S	*	*			trans	-81.3	112.2	-177.8	20.5	0	0	0	0	110.2
253	T	25.9	Very low	25.4	Very low	131 Å²	131	125.2 Å²	125.2	80%	0.804	77%	0.774	S	S	*	*			trans	-138.9	123.8	160.6	-8.3	0	0	0	0	109	A255	T253-A255 PolarHBondContact O-N 3.27Å; T253-A255 VanDerWaalsContact O-N 3.15Å
254	A	23.6	Very low	25.1	Very low	110 Å²	110	126 Å²	126	91%	0.909	77%	0.769	S	S	*	*			trans	-55	112	-172.4	0	0	0	0	0	112.4
255	A	23.4	Very low	25	Very low	100 Å²	100	125.9 Å²	125.9	83%	0.826	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-90.8	117.6	169.8	0	0	0	0	0	109.4	T253	T253-A255 PolarHBondContact O-N 3.27Å; T253-A255 VanDerWaalsContact O-N 3.15Å
256	A	22.2	Very low	25	Very low	82 Å²	82	127.4 Å²	127.4	68%	0.678	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-65.3	153.8	166.5	0	0	0	0	0	110.6	I258	A256-I258 PolarHBondContact O-N 2.85Å
257	P	24.8	Very low	24.6	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-67.2	123.3	-167.5	26.3	-33	0	0	0	111.8	I259	P257-I259 PolarHBondContact O-N 2.64Å
258	I	20.7	Very low	24.4	Very low	163 Å²	163	125.9 Å²	125.9	84%	0.836	74%	0.738	S	S	*	*			trans	-73.4	101.7	168.3	-61.3	172.1	0	0	0	106.7	A256 D260	A256-I258 PolarHBondContact O-N 2.85Å; I258-D260 PolarHBondContact O-N 2.8Å
259	I	20.8	Very low	24.3	Very low	121 Å²	121	126 Å²	126	62%	0.621	73%	0.731	S	S	*	*			trans	-78.6	105	171.4	-60.9	172.6	0	0	0	106.9	P257 Y261	P257-I259 PolarHBondContact O-N 2.64Å; I259-Y261 HydrophobicContact CB-CD2 4.47Å; I259-Y261 HydrophobicContact CB-CE2 4.42Å; I259-Y261 HydrophobicContact CG2-CD2 3.71Å; I259-Y261 HydrophobicContact CG2-CE2 3.54Å; I259-Y261 PolarHBondContact O-N 3.48Å
260	D	19.6	Very low	24	Very low	140 Å²	140	125.5 Å²	125.5	75%	0.749	72%	0.719	S	S	*	*			trans	-70.2	87.2	176.1	-170.9	9.2	0	0	0	110	I258 S262	I258-D260 PolarHBondContact O-N 2.8Å; D260-S262 PolarHBondContact O-N 2.78Å
261	Y	21.4	Very low	24.2	Very low	178 Å²	178	122.9 Å²	122.9	70%	0.698	70%	0.7	S	S	*	*			trans	-76.3	83	166.1	-84.4	-82.5	0	0	0	108.9	I259 F263	I259-Y261 HydrophobicContact CB-CD2 4.47Å; I259-Y261 HydrophobicContact CB-CE2 4.42Å; I259-Y261 HydrophobicContact CG2-CD2 3.71Å; I259-Y261 HydrophobicContact CG2-CE2 3.54Å; I259-Y261 PolarHBondContact O-N 3.48Å; Y261-F263 VanDerWaalsContact C-N 3.26Å; Y261-F263 HydrophobicContact CD1-CE2 4.43Å; Y261-F263 PolarHBondContact O-N 3.28Å
262	S	22.9	Very low	24.3	Very low	79 Å²	79	119.5 Å²	119.5	55%	0.552	68%	0.682	S	S	*	*			trans	-62.7	86.9	164.6	174.1	0	0	0	0	109.8	D260 N264	D260-S262 PolarHBondContact O-N 2.78Å; S262-N264 PolarHBondContact O-N 3.43Å
263	F	21.6	Very low	24.4	Very low	169 Å²	169	117.1 Å²	117.1	74%	0.741	66%	0.663	S	S	*	*			trans	-75.6	38.2	175	-108.4	-84.1	0	0	0	112.5	Y261	Y261-F263 VanDerWaalsContact C-N 3.26Å; Y261-F263 HydrophobicContact CD1-CE2 4.43Å; Y261-F263 PolarHBondContact O-N 3.28Å
264	N	22.9	Very low	24.4	Very low	126 Å²	126	115.3 Å²	115.3	67%	0.674	65%	0.648	S	S	*	*			trans	-99.2	8.7	-170.4	-88.4	-22.5	0	0	0	115.7	S262	S262-N264 PolarHBondContact O-N 3.43Å
265	T	28.4	Very low	24.5	Very low	109 Å²	109	115.3 Å²	115.3	67%	0.669	63%	0.631	S	S	*	*	S	Bend	trans	-93.7	-27.1	-177.3	45.7	0	0	0	0	114.7
266	E	25.3	Very low	24.6	Very low	151 Å²	151	114.2 Å²	114.2	71%	0.706	62%	0.617	S	S	*	*	H	α-helix	trans	-77.5	-28.8	-178.2	-65.7	-163.6	163.1	0	0	113.6	S268	E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.41Å
267	H	27.6	Very low	24.6	Very low	136 Å²	136	116 Å²	116	63%	0.63	62%	0.615	S	S	*	*	H	α-helix	trans	-72.6	-25.4	179	-144.4	77.6	0	0	0	112.8	N271	H267-N271 PolarHBondContact O-N 2.95Å
268	S	26.3	Very low	24.5	Very low	73 Å²	73	117 Å²	117	51%	0.51	61%	0.614	S	S	.	*	H	α-helix	trans	-74.2	-35.4	179.2	-168.6	0	0	0	0	112.3	E266 S272	E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.41Å; S268-S272 WeakPolarHBondContact O-CB 3.35Å; S268-S272 PolarHBondContact O-N 3.45Å; S268-S272 PolarHBondContact O-OG 2.85Å
269	I	28.1	Very low	24.7	Very low	113 Å²	113	117.9 Å²	117.9	58%	0.579	61%	0.612	S	S	*	*	H	α-helix	trans	-70.5	-39.7	-180	-60.3	175.5	0	0	0	110.6	S272 L273	I269-S272 PolarHBondContact O-N 2.92Å; I269-L273 HydrophobicContact CG2-CD1 4.38Å; I269-L273 PolarHBondContact O-N 3.22Å; I269-L273 VanDerWaalsContact O-N 3.15Å
270	M	24.3	Very low	24.9	Very low	118 Å²	118	117.5 Å²	117.5	58%	0.581	62%	0.615	S	S	*	*	H	α-helix	trans	-69.2	-39.7	178.1	-85	-69	-77.1	0	0	113	L273 L274	M270-L273 PolarHBondContact O-N 3.45Å; M270-L274 PolarHBondContact O-N 2.75Å; M270-L274 VanDerWaalsContact O-N 3.09Å
271	N	27.5	Very low	25	Very low	80 Å²	80	118.7 Å²	118.7	43%	0.428	62%	0.616	S	S	.	*	H	α-helix	trans	-71.3	-30.8	175.7	-88.8	-20.6	0	0	0	112.7	H267 L273 L274 I275	H267-N271 PolarHBondContact O-N 2.95Å; N271-L273 VanDerWaalsContact C-N 3.33Å; N271-L273 PolarHBondContact O-N 2.95Å; N271-L274 PolarHBondContact O-N 2.93Å; N271-I275 VanDerWaalsContact O-CG1 3.27Å; N271-I275 WeakPolarHBondContact O-CG1 3.37Å; N271-I275 PolarHBondContact O-N 3.39Å
272	S	28.9	Very low	25	Very low	64 Å²	64	118.1 Å²	118.1	45%	0.448	62%	0.624	S	S	.	*	H	α-helix	trans	-65.9	-36.5	173.9	-59.1	0	0	0	0	112	S268 I269 S276	S268-S272 WeakPolarHBondContact O-CB 3.35Å; S268-S272 PolarHBondContact O-N 3.45Å; S268-S272 PolarHBondContact O-OG 2.85Å; I269-S272 PolarHBondContact O-N 2.92Å; S272-S276 WeakPolarHBondContact O-CB 3.4Å; S272-S276 PolarHBondContact O-N 3.33Å; S272-S276 PolarHBondContact O-OG 3.2Å
273	L	25.8	Very low	25	Very low	99 Å²	99	123.1 Å²	123.1	52%	0.518	64%	0.639	S	S	.	*	H	α-helix	trans	-69.7	-39.1	174	-82	161.4	0	0	0	112.5	I269 M270 N271 S276 L277	I269-L273 HydrophobicContact CG2-CD1 4.38Å; I269-L273 PolarHBondContact O-N 3.22Å; I269-L273 VanDerWaalsContact O-N 3.15Å; M270-L273 PolarHBondContact O-N 3.45Å; N271-L273 VanDerWaalsContact C-N 3.33Å; N271-L273 PolarHBondContact O-N 2.95Å; L273-S276 PolarHBondContact O-N 2.83Å; L273-L277 PolarHBondContact O-N 3.21Å; L273-L277 VanDerWaalsContact O-N 3.11Å
274	L	25.6	Very low	24.9	Very low	92 Å²	92	119.9 Å²	119.9	48%	0.482	64%	0.637	S	S	.	*	H	α-helix	trans	-69.2	-35.8	177.1	-100.6	141.4	0	0	0	113.3	M270 N271 S276 N278	M270-L274 PolarHBondContact O-N 2.75Å; M270-L274 VanDerWaalsContact O-N 3.09Å; N271-L274 PolarHBondContact O-N 2.93Å; L274-S276 VanDerWaalsContact C-N 3.31Å; L274-N278 PolarHBondContact O-N 3.24Å
275	I	27.4	Very low	24.8	Very low	111 Å²	111	119 Å²	119	57%	0.569	64%	0.641	S	S	*	*	H	α-helix	trans	-70.5	-31.9	175.1	-66.5	167.5	0	0	0	110.9	N271	N271-I275 VanDerWaalsContact O-CG1 3.27Å; N271-I275 WeakPolarHBondContact O-CG1 3.37Å; N271-I275 PolarHBondContact O-N 3.39Å
276	S	23.9	Very low	24.6	Very low	76 Å²	76	119.1 Å²	119.1	53%	0.531	65%	0.646	S	S	.	*	H	α-helix	trans	-71.8	-35.2	177.6	-57.4	0	0	0	0	112.5	S272 L273 L274	S272-S276 WeakPolarHBondContact O-CB 3.4Å; S272-S276 PolarHBondContact O-N 3.33Å; S272-S276 PolarHBondContact O-OG 3.2Å; L273-S276 PolarHBondContact O-N 2.83Å; L274-S276 VanDerWaalsContact C-N 3.31Å
277	L	23.8	Very low	24.4	Very low	120 Å²	120	119.5 Å²	119.5	63%	0.628	65%	0.652	S	S	*	*	H	α-helix	trans	-73.4	-27.3	178.7	-75.2	168.8	0	0	0	113.7	L273 K279	L273-L277 PolarHBondContact O-N 3.21Å; L273-L277 VanDerWaalsContact O-N 3.11Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 3.19Å
278	N	22.1	Very low	24.1	Very low	140 Å²	140	118.6 Å²	118.6	75%	0.749	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-7.2	178.9	-88.2	-16.2	0	0	0	114.5	L274	L274-N278 PolarHBondContact O-N 3.24Å
279	K	25.2	Very low	23.9	Very low	181 Å²	181	120.2 Å²	120.2	79%	0.787	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-8.9	-179.8	-85.3	-174.9	175.7	179.1	0	115.2	L277	L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 3.19Å
280	T	24.5	Very low	23.6	Very low	112 Å²	112	121.6 Å²	121.6	69%	0.687	68%	0.683	S	S	*	*	S	Bend	trans	-107.8	12.3	-171.2	49.6	0	0	0	0	115.6
281	Q	22.6	Very low	23.5	Very low	166 Å²	166	120.3 Å²	120.3	78%	0.776	69%	0.691	S	S	*	*			trans	-116.1	39.6	-173.8	-77	-82.5	-11.4	0	0	114.6
282	L	20	Very low	23.3	Very low	165 Å²	165	127.4 Å²	127.4	86%	0.864	71%	0.714	S	S	*	*			trans	-138.1	75.8	171.7	-74.1	172.7	0	0	0	111
283	Q	22.7	Very low	22.8	Very low	184 Å²	184	129.7 Å²	129.7	86%	0.86	73%	0.73	S	S	*	*			trans	-164.8	129	154.6	-108.8	161	27.4	0	0	111.9
284	S	20.4	Very low	22.7	Very low	101 Å²	101	129.8 Å²	129.8	71%	0.706	74%	0.736	S	S	*	*			trans	56.9	99.5	156.1	52.8	0	0	0	0	117.7
285	S	20.7	Very low	22.7	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	75%	0.753	S	S	*	*				75.5	137.6	87.5	69.4	0	0	0	0	115.1
286	S	23.2	Very low	22.3	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	76%	0.762	S	S	*	*			trans	71	88	170.4	41.5	0	0	0	0	117.9	P288	S286-P288 WeakPolarHBondContact O-CD 3.33Å
287	I	22	Very low	22.2	Very low	160 Å²	160	135 Å²	135	82%	0.821	77%	0.769	S	S	*	*			trans	-82.5	121.2	159.5	-61.3	162.9	0	0	0	108.1
288	P	22.2	Very low	22.1	Very low	117 Å²	117	135.9 Å²	135.9	76%	0.76	77%	0.773	S	S	*	*			trans	-83.5	119.4	162.8	-3.6	22.5	0	0	0	109.4	S286 T290	S286-P288 WeakPolarHBondContact O-CD 3.33Å; P288-T290 PolarHBondContact O-N 3.49Å
289	S	21.9	Very low	22.2	Very low	107 Å²	107	135 Å²	135	75%	0.748	77%	0.769	S	S	*	*			trans	-70.7	106.3	167.7	-56.7	0	0	0	0	109.5
290	T	21.2	Very low	22.2	Very low	141 Å²	141	134.6 Å²	134.6	87%	0.865	77%	0.769	S	S	*	*			trans	168.6	86.4	147.2	43.5	0	0	0	0	111.1	P288	P288-T290 PolarHBondContact O-N 3.49Å
291	A	21.9	Very low	22.2	Very low	92 Å²	92	137.8 Å²	137.8	76%	0.76	77%	0.774	S	S	*	*			trans	-154.5	114	154	0	0	0	0	0	108.6	S293	A291-S293 PolarHBondContact O-N 3.48Å; A291-S293 VanDerWaalsContact O-N 3.13Å
292	Y	22.6	Very low	22.3	Very low	228 Å²	228	134.9 Å²	134.9	89%	0.894	76%	0.763	S	S	*	*			trans	-42	113.7	173.9	-79.4	-105.2	0	0	0	110.9	P294	Y292-P294 WeakPolarHBondContact O-CD 3.47Å
293	S	20	Very low	22.8	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	76%	0.76	S	S	*	*			trans	-74.4	108.5	162.5	-41.3	0	0	0	0	106.5	A291 S295	A291-S293 PolarHBondContact O-N 3.48Å; A291-S293 VanDerWaalsContact O-N 3.13Å; S293-S295 PolarHBondContact O-N 3.48Å
294	P	23.5	Very low	23.7	Very low	102 Å²	102	131.6 Å²	131.6	66%	0.662	75%	0.751	S	S	*	*			trans	-67.2	125.1	175.6	-6.5	24	0	0	0	106.5	Y292 L296	Y292-P294 WeakPolarHBondContact O-CD 3.47Å; P294-L296 PolarHBondContact O-N 2.82Å
295	S	24.1	Very low	24.8	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	75%	0.748	S	S	*	*			trans	-64.3	80.9	172.1	46.7	0	0	0	0	109.3	S293 N297	S293-S295 PolarHBondContact O-N 3.48Å; S295-N297 PolarHBondContact O-N 3.49Å
296	L	19.7	Very low	26.4	Very low	144 Å²	144	131 Å²	131	75%	0.754	73%	0.731	S	S	*	*			trans	-68.6	118.9	176	-82.6	161.5	0	0	0	108.7	P294 L298	P294-L296 PolarHBondContact O-N 2.82Å; L296-L298 PolarHBondContact O-N 3.2Å
297	N	21.7	Very low	28.5	Very low	125 Å²	125	127.3 Å²	127.3	67%	0.668	70%	0.702	S	S	*	*			trans	-69.8	110.5	-177.8	-165.9	-28.8	0	0	0	108.6	S295 N299	S295-N297 PolarHBondContact O-N 3.49Å; N297-N299 PolarHBondContact O-N 3.21Å
298	L	22.5	Very low	30.9	Very low	137 Å²	137	124.9 Å²	124.9	72%	0.717	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	9.9	-172.4	-100.9	160.2	0	0	0	116	L296 F301	L296-L298 PolarHBondContact O-N 3.2Å; L298-F301 HydrophobicContact CD2-CB 4.27Å
299	N	23.7	Very low	33.4	Very low	123 Å²	123	119.3 Å²	119.3	66%	0.658	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-20.9	174.5	-86.2	-9.9	0	0	0	113.5	N297	N297-N299 PolarHBondContact O-N 3.21Å
300	E	24.5	Very low	35.5	Very low	172 Å²	172	115.6 Å²	115.6	80%	0.804	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-13.1	177.2	-96.2	-178.8	154.3	0	0	114.2
301	F	25	Very low	37.6	Very low	179 Å²	179	111 Å²	111	79%	0.785	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	10	-178.3	-152.1	-98.2	0	0	0	114.1	L298 I303	L298-F301 HydrophobicContact CD2-CB 4.27Å; F301-I303 PolarHBondContact O-N 3.03Å
302	L	25.8	Very low	40.1	Very low	104 Å²	104	109 Å²	109	55%	0.545	57%	0.572	S	S	.	*			trans	-78.7	23.5	-178.1	-70.1	173.8	0	0	0	114.5
303	I	30.1	Very low	42.3	Very low	156 Å²	156	104.3 Å²	104.3	80%	0.8	56%	0.559	S	S	*	*	S	Bend	trans	-100	107.9	-179.6	-52.3	178.9	0	0	0	108.8	F301	F301-I303 PolarHBondContact O-N 3.03Å
304	D	41.3	Very low	45.1	Very low	125 Å²	125	105 Å²	105	67%	0.668	55%	0.548	S	S	*	.			trans	91	49.5	177.2	-149.3	0.2	0	0	0	117	S306	D304-S306 PolarHBondContact O-N 2.92Å; D304-S306 VanDerWaalsContact OD1-CB 3.26Å; D304-S306 WeakPolarHBondContact OD1-CB 3.45Å; D304-S306 PolarHBondContact OD1-OG 2.8Å
305	Q	44	Very low	47.3	Very low	140 Å²	140	104.3 Å²	104.3	65%	0.654	54%	0.544	S	S	*	.			trans	-74.1	49.2	164.2	-153.9	173.3	33.8	0	0	111.4	I307	Q305-I307 PolarHBondContact O-N 3.4Å
306	S	54.2	Low	49.5	Very low	54 Å²	54	100.2 Å²	100.2	38%	0.378	51%	0.511	S	S	.	.			trans	-73.2	120.8	173.2	52.2	0	0	0	0	110	D304	D304-S306 PolarHBondContact O-N 2.92Å; D304-S306 VanDerWaalsContact OD1-CB 3.26Å; D304-S306 WeakPolarHBondContact OD1-CB 3.45Å; D304-S306 PolarHBondContact OD1-OG 2.8Å
307	I	66.3	Low	51.9	Low	36 Å²	36	102.9 Å²	102.9	19%	0.185	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.2	-178.5	-63.4	160.2	0	0	0	107.4	Q305 C315 F316 E319 L322	Q305-I307 PolarHBondContact O-N 3.4Å; I307-C315 CarbonylContact O-C 3.51Å; I307-F316 PolarHBondContact N-O 2.74Å; I307-F316 WeakPolarHBondContact O-CA 3.41Å; I307-F316 WeakPolarHBondContact O-CB 3.4Å; I307-F316 WeakPolarHBondContact O-CD2 3.48Å; I307-F316 PolarHBondContact O-N 2.77Å; I307-E319 HydrophobicContact CD1-CB 4.06Å; I307-L322 HydrophobicContact CG2-CB 4.24Å; I307-L322 HydrophobicContact CG2-CD2 3.48Å; I307-L322 VanDerWaalsContact CG2-CD2 3.48Å; I307-L322 HydrophobicContact CG2-CG 4.44Å
308	F	73.2	Confident	54.3	Low	108 Å²	108	101.8 Å²	101.8	47%	0.474	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	152.6	-178.2	68.8	-87.8	0	0	0	113.5	P310 H313 K314	F308-P310 WeakPolarHBondContact O-CD 3.28Å; F308-H313 AromaticContact CD2-ND1 3.9Å; F308-H313 AromaticContact CE2-ND1 3.93Å; F308-K314 CarbonylContact C-O 3.5Å; F308-K314 WeakPolarHBondContact CA-O 3.38Å
309	C	75	Confident	56.8	Low	0 Å²	0	99.8 Å²	99.8	0%	0	49%	0.488	C	S	.	.			trans	-75.4	122	171.4	178	0	0	0	0	109.9	L311 H313 K314 F316 L322 H325	C309-L311 PolarHBondContact O-N 3.4Å; C309-L311 PolarHBondContact SG-N 3.09Å; C309-H313 WeakPolarHBondContact O-CA 3.46Å; C309-H313 PolarHBondContact O-N 3.32Å; C309-K314 PolarHBondContact N-O 3.48Å; C309-F316 HydrophobicContact CB-CE2 4.03Å; C309-L322 VanDerWaalsContact CA-CD1 3.45Å; C309-L322 HydrophobicContact CB-CD1 3.53Å; C309-H325 WeakPolarHBondContact CB-NE2 3.48Å; C309-H325 PolarHBondContact SG-NE2 3.43Å
310	P	64.3	Low	59.2	Low	29 Å²	29	100.9 Å²	100.9	19%	0.188	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.6	177.9	28.2	-36.1	0	0	0	114	F308 I358 T362	F308-P310 WeakPolarHBondContact O-CD 3.28Å; P310-I358 HydrophobicContact CB-CG2 3.58Å; P310-I358 HydrophobicContact CG-CB 4.12Å; P310-I358 HydrophobicContact CG-CD1 4Å; P310-I358 HydrophobicContact CG-CG2 3.29Å; P310-T362 HydrophobicContact CB-CG2 4.15Å
311	L	65.4	Low	61.9	Low	46 Å²	46	94.6 Å²	94.6	24%	0.241	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-27.6	-179.2	-59.2	178	0	0	0	113.6	C309 L326 H330 K342 I358	C309-L311 PolarHBondContact O-N 3.4Å; C309-L311 PolarHBondContact SG-N 3.09Å; L311-L326 HydrophobicContact CD1-CD2 4.16Å; L311-H330 HydrophobicContact CD1-CB 3.83Å; L311-K342 HydrophobicContact CD2-CB 4.32Å; L311-I358 HydrophobicContact CD1-CD1 4.42Å; L311-I358 HydrophobicContact CG-CD1 4.36Å
312	C	75.9	Confident	64.3	Low	48 Å²	48	86 Å²	86	32%	0.324	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	4.3	-179.9	72.8	0	0	0	0	114.1	K314 H325	C312-K314 PolarHBondContact O-N 3.33Å; C312-H325 PolarHBondContact SG-CE1 3.31Å; C312-H325 PolarHBondContact SG-NE2 3.36Å
313	H	68.4	Low	66.6	Low	131 Å²	131	82.9 Å²	82.9	61%	0.606	41%	0.405	S	S	*	.			trans	58	14.4	179.5	-61.5	-86.3	0	0	0	116.4	F308 C309	F308-H313 AromaticContact CD2-ND1 3.9Å; F308-H313 AromaticContact CE2-ND1 3.93Å; C309-H313 WeakPolarHBondContact O-CA 3.46Å; C309-H313 PolarHBondContact O-N 3.32Å
314	K	78.6	Confident	68.8	Low	127 Å²	127	81.7 Å²	81.7	55%	0.552	39%	0.39	S	S	*	.			trans	-66.9	132.9	172.5	-74.2	-170.1	179	-164.1	0	111.8	F308 C309 C312 F316	F308-K314 CarbonylContact C-O 3.5Å; F308-K314 WeakPolarHBondContact CA-O 3.38Å; C309-K314 PolarHBondContact N-O 3.48Å; C312-K314 PolarHBondContact O-N 3.33Å; K314-F316 HydrophobicContact CB-CE2 3.77Å; K314-F316 HydrophobicContact CB-CZ 3.83Å; K314-F316 VanDerWaalsContact O-CD2 3.25Å; K314-F316 WeakPolarHBondContact O-CD2 3.45Å; K314-F316 WeakPolarHBondContact O-CE2 3.46Å
315	C	70.2	Confident	70.7	Confident	87 Å²	87	76.5 Å²	76.5	59%	0.588	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	142.9	178.4	-61.6	0	0	0	0	112.6	I307	I307-C315 CarbonylContact O-C 3.51Å
316	F	70.5	Confident	72	Confident	34 Å²	34	70 Å²	70	15%	0.149	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.8	179.8	-61.2	-83.3	0	0	0	110.5	I307 C309 K314 F318 N321 L322 H325	I307-F316 PolarHBondContact N-O 2.74Å; I307-F316 WeakPolarHBondContact O-CA 3.41Å; I307-F316 WeakPolarHBondContact O-CB 3.4Å; I307-F316 WeakPolarHBondContact O-CD2 3.48Å; I307-F316 PolarHBondContact O-N 2.77Å; C309-F316 HydrophobicContact CB-CE2 4.03Å; K314-F316 HydrophobicContact CB-CE2 3.77Å; K314-F316 HydrophobicContact CB-CZ 3.83Å; K314-F316 VanDerWaalsContact O-CD2 3.25Å; K314-F316 WeakPolarHBondContact O-CD2 3.45Å; K314-F316 WeakPolarHBondContact O-CE2 3.46Å; F316-F318 VanDerWaalsContact C-N 3.3Å; F316-F318 PolarHBondContact O-N 2.76Å; F316-N321 HydrophobicContact CB-CB 4.24Å; F316-N321 HydrophobicContact CD1-CB 3.93Å; F316-N321 HydrophobicContact CG-CB 4.43Å; F316-L322 HydrophobicContact CB-CB 4.16Å; F316-L322 HydrophobicContact CD2-CB 3.8Å; F316-L322 HydrophobicContact CD2-CD1 3.68Å; F316-L322 HydrophobicContact CD2-CG 4.34Å; F316-L322 HydrophobicContact CE2-CD1 3.77Å; F316-L322 HydrophobicContact CG-CB 4.03Å; F316-H325 HydrophobicContact CD1-CB 4.47Å; F316-H325 HydrophobicContact CE1-CB 3.55Å; F316-H325 AromaticContact CE1-CG 3.93Å; F316-H325 HydrophobicContact CE2-CB 3.93Å; F316-H325 AromaticContact CE2-CD2 3.6Å; F316-H325 AromaticContact CE2-CG 3.67Å; F316-H325 HydrophobicContact CZ-CB 3.26Å; F316-H325 AromaticContact CZ-CD2 3.56Å; F316-H325 AromaticContact CZ-CG 3.12Å; F316-H325 AromaticContact CZ-ND1 3.54Å
317	R	69	Low	72.7	Confident	199 Å²	199	72 Å²	72	75%	0.751	34%	0.335	S	S	*	.	S	Bend	trans	-69.5	-25.8	177.1	-174.7	168.5	179.7	168.3	0.2	114
318	F	71.5	Confident	73.1	Confident	102 Å²	102	78 Å²	78	45%	0.447	36%	0.359	S	S	.	.	S	Bend	trans	-136.1	144.6	-177.1	-57.6	-65.6	0	0	0	110.9	F316 K320 N321 L322	F316-F318 VanDerWaalsContact C-N 3.3Å; F316-F318 PolarHBondContact O-N 2.76Å; F318-K320 VanDerWaalsContact C-N 3.26Å; F318-K320 HydrophobicContact CB-CG 3.87Å; F318-K320 PolarHBondContact O-N 3.02Å; F318-N321 WeakPolarHBondContact O-CB 3.44Å; F318-N321 PolarHBondContact O-N 3.47Å; F318-L322 PolarHBondContact O-N 3.24Å
319	E	75	Confident	73	Confident	96 Å²	96	77.7 Å²	77.7	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-54.8	-42.3	175.9	-174.5	176.7	179.6	0	0	111.7	I307 N321 L322 L323	I307-E319 HydrophobicContact CD1-CB 4.06Å; E319-N321 PolarHBondContact O-N 3.33Å; E319-N321 VanDerWaalsContact O-N 3.15Å; E319-L322 WeakPolarHBondContact O-CB 3.41Å; E319-L322 PolarHBondContact O-N 3.09Å; E319-L323 HydrophobicContact CG-CD1 4.27Å; E319-L323 HydrophobicContact CG-CG 4.33Å; E319-L323 WeakPolarHBondContact O-CG 3.44Å; E319-L323 PolarHBondContact O-N 3.17Å
320	K	75.8	Confident	72.7	Confident	146 Å²	146	78.5 Å²	78.5	64%	0.635	37%	0.365	S	S	*	.	H	α-helix	trans	-56.1	-33.1	175.9	65.7	-177.3	178.1	-177.8	0	113.4	F318 R324	F318-K320 VanDerWaalsContact C-N 3.26Å; F318-K320 HydrophobicContact CB-CG 3.87Å; F318-K320 PolarHBondContact O-N 3.02Å; K320-R324 WeakPolarHBondContact O-CB 3.27Å; K320-R324 PolarHBondContact O-N 3.15Å
321	N	80.4	Confident	72.5	Confident	39 Å²	39	79.5 Å²	79.5	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-77.3	-37.9	178.2	-68.4	-10.8	0	0	0	111.2	F316 F318 E319 R324 H325	F316-N321 HydrophobicContact CB-CB 4.24Å; F316-N321 HydrophobicContact CD1-CB 3.93Å; F316-N321 HydrophobicContact CG-CB 4.43Å; F318-N321 WeakPolarHBondContact O-CB 3.44Å; F318-N321 PolarHBondContact O-N 3.47Å; E319-N321 PolarHBondContact O-N 3.33Å; E319-N321 VanDerWaalsContact O-N 3.15Å; N321-R324 PolarHBondContact O-N 3.49Å; N321-R324 PolarHBondContact OD1-NH2 3.43Å; N321-R324 VanDerWaalsContact OD1-NH2 3.1Å; N321-H325 WeakPolarHBondContact O-CB 3.24Å; N321-H325 PolarHBondContact O-N 3.27Å
322	L	74.7	Confident	71.7	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-60.7	-47.6	170.3	170.9	62	0	0	0	110.6	I307 C309 F316 F318 E319 R324 H325 L326 Y355	I307-L322 HydrophobicContact CG2-CB 4.24Å; I307-L322 HydrophobicContact CG2-CD2 3.48Å; I307-L322 VanDerWaalsContact CG2-CD2 3.48Å; I307-L322 HydrophobicContact CG2-CG 4.44Å; C309-L322 VanDerWaalsContact CA-CD1 3.45Å; C309-L322 HydrophobicContact CB-CD1 3.53Å; F316-L322 HydrophobicContact CB-CB 4.16Å; F316-L322 HydrophobicContact CD2-CB 3.8Å; F316-L322 HydrophobicContact CD2-CD1 3.68Å; F316-L322 HydrophobicContact CD2-CG 4.34Å; F316-L322 HydrophobicContact CE2-CD1 3.77Å; F316-L322 HydrophobicContact CG-CB 4.03Å; F318-L322 PolarHBondContact O-N 3.24Å; E319-L322 WeakPolarHBondContact O-CB 3.41Å; E319-L322 PolarHBondContact O-N 3.09Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-R324 PolarHBondContact O-N 3.35Å; L322-H325 CarbonylContact O-C 3.46Å; L322-H325 WeakPolarHBondContact O-CA 3.48Å; L322-H325 WeakPolarHBondContact O-CB 3.29Å; L322-H325 PolarHBondContact O-N 3.38Å; L322-L326 HydrophobicContact CD1-CD2 4.36Å; L322-L326 HydrophobicContact CD1-CG 4.12Å; L322-L326 HydrophobicContact CG-CD1 4.35Å; L322-L326 HydrophobicContact CG-CG 4.39Å; L322-L326 WeakPolarHBondContact O-CG 3.35Å; L322-L326 PolarHBondContact O-N 2.99Å; L322-Y355 HydrophobicContact CD2-CD2 3.93Å; L322-Y355 HydrophobicContact CD2-CE2 3.43Å; L322-Y355 VanDerWaalsContact CD2-CE2 3.43Å
323	L	75.1	Confident	70.7	Confident	38 Å²	38	84.2 Å²	84.2	20%	0.199	40%	0.399	C	S	.	.	H	α-helix	trans	-60.4	-42.7	179.2	-65.5	176.7	0	0	0	111.5	E319 H325 L326 Q327 Y355	E319-L323 HydrophobicContact CG-CD1 4.27Å; E319-L323 HydrophobicContact CG-CG 4.33Å; E319-L323 WeakPolarHBondContact O-CG 3.44Å; E319-L323 PolarHBondContact O-N 3.17Å; L323-H325 VanDerWaalsContact C-N 3.3Å; L323-H325 PolarHBondContact O-N 3.04Å; L323-L326 HydrophobicContact CD2-CD1 4.35Å; L323-L326 PolarHBondContact O-N 3.13Å; L323-Q327 PolarHBondContact O-N 3.45Å; L323-Y355 HydrophobicContact CD2-CG 4.4Å
324	R	76.9	Confident	69.8	Low	130 Å²	130	83.6 Å²	83.6	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-34.5	173.1	-177.4	173.2	63	-158.5	-1.5	112.6	K320 N321 L322 Q327 K328	K320-R324 WeakPolarHBondContact O-CB 3.27Å; K320-R324 PolarHBondContact O-N 3.15Å; N321-R324 PolarHBondContact O-N 3.49Å; N321-R324 PolarHBondContact OD1-NH2 3.43Å; N321-R324 VanDerWaalsContact OD1-NH2 3.1Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-R324 PolarHBondContact O-N 3.35Å; R324-Q327 WeakPolarHBondContact O-CB 3.39Å; R324-Q327 PolarHBondContact O-N 3.47Å; R324-K328 HydrophobicContact CG-CD 4.5Å; R324-K328 PolarHBondContact O-N 2.96Å
325	H	79.8	Confident	68.4	Low	17 Å²	17	82 Å²	82	8%	0.079	42%	0.424	C	S	.	.	H	α-helix	trans	-68.5	-44.7	174.2	160.2	80	0	0	0	111.8	C309 C312 F316 N321 L322 L323 Q327 K328 I329 H330	C309-H325 WeakPolarHBondContact CB-NE2 3.48Å; C309-H325 PolarHBondContact SG-NE2 3.43Å; C312-H325 PolarHBondContact SG-CE1 3.31Å; C312-H325 PolarHBondContact SG-NE2 3.36Å; F316-H325 HydrophobicContact CD1-CB 4.47Å; F316-H325 HydrophobicContact CE1-CB 3.55Å; F316-H325 AromaticContact CE1-CG 3.93Å; F316-H325 HydrophobicContact CE2-CB 3.93Å; F316-H325 AromaticContact CE2-CD2 3.6Å; F316-H325 AromaticContact CE2-CG 3.67Å; F316-H325 HydrophobicContact CZ-CB 3.26Å; F316-H325 AromaticContact CZ-CD2 3.56Å; F316-H325 AromaticContact CZ-CG 3.12Å; F316-H325 AromaticContact CZ-ND1 3.54Å; N321-H325 WeakPolarHBondContact O-CB 3.24Å; N321-H325 PolarHBondContact O-N 3.27Å; L322-H325 CarbonylContact O-C 3.46Å; L322-H325 WeakPolarHBondContact O-CA 3.48Å; L322-H325 WeakPolarHBondContact O-CB 3.29Å; L322-H325 PolarHBondContact O-N 3.38Å; L323-H325 VanDerWaalsContact C-N 3.3Å; L323-H325 PolarHBondContact O-N 3.04Å; H325-Q327 PolarHBondContact O-N 3.46Å; H325-K328 PolarHBondContact O-N 3.04Å; H325-I329 WeakPolarHBondContact ND1-CG1 3.25Å; H325-I329 WeakPolarHBondContact O-CB 2.9Å; H325-I329 PolarHBondContact O-N 3.17Å; H325-H330 AromaticContact CE1-NE2 3.72Å; H325-H330 AromaticContact NE2-CD2 3.52Å; H325-H330 AromaticContact NE2-NE2 3.2Å; H325-H330 PolarHBondContact NE2-NE2 3.47Å; H325-H330 VanDerWaalsContact NE2-NE2 3.2Å
326	L	71.1	Confident	67.6	Low	4 Å²	4	84.1 Å²	84.1	2%	0.021	43%	0.425	C	S	.	.	H	α-helix	trans	-56.4	-38.8	171.9	-64.5	176.2	0	0	0	110.6	L311 L322 L323 H330 S331 Y351	L311-L326 HydrophobicContact CD1-CD2 4.16Å; L322-L326 HydrophobicContact CD1-CD2 4.36Å; L322-L326 HydrophobicContact CD1-CG 4.12Å; L322-L326 HydrophobicContact CG-CD1 4.35Å; L322-L326 HydrophobicContact CG-CG 4.39Å; L322-L326 WeakPolarHBondContact O-CG 3.35Å; L322-L326 PolarHBondContact O-N 2.99Å; L323-L326 HydrophobicContact CD2-CD1 4.35Å; L323-L326 PolarHBondContact O-N 3.13Å; L326-H330 CarbonylContact O-C 3.42Å; L326-H330 WeakPolarHBondContact O-CA 3.42Å; L326-H330 WeakPolarHBondContact O-CB 3.22Å; L326-H330 PolarHBondContact O-N 2.85Å; L326-H330 VanDerWaalsContact O-N 3.08Å; L326-S331 PolarHBondContact O-N 3.05Å; L326-S331 VanDerWaalsContact O-N 3.15Å; L326-Y351 HydrophobicContact CB-CD1 4.38Å
327	Q	69	Low	66.8	Low	94 Å²	94	86.5 Å²	86.5	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-63.4	-53.5	173.2	175.3	173.7	31.5	0	0	113.9	L323 R324 H325 S331 Y351	L323-Q327 PolarHBondContact O-N 3.45Å; R324-Q327 WeakPolarHBondContact O-CB 3.39Å; R324-Q327 PolarHBondContact O-N 3.47Å; H325-Q327 PolarHBondContact O-N 3.46Å; Q327-S331 WeakPolarHBondContact O-CB 3.32Å; Q327-Y351 HydrophobicContact CB-CD1 4.15Å; Q327-Y351 HydrophobicContact CB-CE1 3.43Å; Q327-Y351 VanDerWaalsContact CB-CE1 3.43Å; Q327-Y351 HydrophobicContact CB-CE2 4.32Å; Q327-Y351 HydrophobicContact CG-CE1 4.1Å; Q327-Y351 HydrophobicContact CG-CE2 4.38Å; Q327-Y351 WeakPolarHBondContact CG-OH 3.42Å
328	K	74.3	Confident	66.4	Low	162 Å²	162	79.5 Å²	79.5	70%	0.704	42%	0.424	S	S	*	.	H	α-helix	trans	-78.3	-32	-172.3	-70.9	-170.9	175.4	-168.5	0	113.6	R324 H325	R324-K328 HydrophobicContact CG-CD 4.5Å; R324-K328 PolarHBondContact O-N 2.96Å; H325-K328 PolarHBondContact O-N 3.04Å
329	I	72.8	Confident	66.1	Low	102 Å²	102	75 Å²	75	52%	0.523	40%	0.404	S	S	.	.	H	α-helix	trans	-105	-31.7	-169.7	-53.9	-57.4	0	0	0	112.1	H325	H325-I329 WeakPolarHBondContact ND1-CG1 3.25Å; H325-I329 WeakPolarHBondContact O-CB 2.9Å; H325-I329 PolarHBondContact O-N 3.17Å
330	H	69	Low	66	Low	17 Å²	17	75.4 Å²	75.4	8%	0.079	40%	0.404	C	S	.	.	H	α-helix	trans	-114.3	2.2	-174	-58.7	-54.4	0	0	0	114	L311 H325 L326 T332	L311-H330 HydrophobicContact CD1-CB 3.83Å; H325-H330 AromaticContact CE1-NE2 3.72Å; H325-H330 AromaticContact NE2-CD2 3.52Å; H325-H330 AromaticContact NE2-NE2 3.2Å; H325-H330 PolarHBondContact NE2-NE2 3.47Å; H325-H330 VanDerWaalsContact NE2-NE2 3.2Å; L326-H330 CarbonylContact O-C 3.42Å; L326-H330 WeakPolarHBondContact O-CA 3.42Å; L326-H330 WeakPolarHBondContact O-CB 3.22Å; L326-H330 PolarHBondContact O-N 2.85Å; L326-H330 VanDerWaalsContact O-N 3.08Å; H330-T332 VanDerWaalsContact C-N 3.34Å; H330-T332 PolarHBondContact O-N 3.33Å
331	S	58.9	Low	65.9	Low	51 Å²	51	68.7 Å²	68.7	36%	0.357	38%	0.376	S	S	.	.			trans	-76.8	85.3	170	-176.7	0	0	0	0	110	L326 Q327	L326-S331 PolarHBondContact O-N 3.05Å; L326-S331 VanDerWaalsContact O-N 3.15Å; Q327-S331 WeakPolarHBondContact O-CB 3.32Å
332	T	49.8	Very low	65.6	Low	88 Å²	88	73.4 Å²	73.4	54%	0.54	39%	0.394	S	S	.	.			trans	-123.9	107.5	167.1	55.7	0	0	0	0	108.4	H330	H330-T332 VanDerWaalsContact C-N 3.34Å; H330-T332 PolarHBondContact O-N 3.33Å
333	N	53.7	Low	65.5	Low	105 Å²	105	78.7 Å²	78.7	56%	0.561	42%	0.422	S	S	*	.	S	Bend		-177.5	129.2	102.4	-131.1	13.7	0	0	0	110.8
334	T	50.1	Low	65.8	Low	118 Å²	118	79 Å²	79	72%	0.724	43%	0.427	S	S	*	.	S	Bend	trans	51.8	90.5	146.5	58.7	0	0	0	0	117.6	E336	T334-E336 PolarHBondContact O-N 3.49Å
335	G	48.1	Very low	66	Low	94 Å²	94	79.2 Å²	79.2	97%	0.969	44%	0.438	S	S	*	.	S	Bend	trans	74.7	-32.3	150.3	0	0	0	0	0	118.1
336	E	53.5	Low	66	Low	130 Å²	130	82.6 Å²	82.6	61%	0.607	45%	0.451	S	S	*	.	S	Bend	trans	-111.9	134.6	172.4	-62.7	-168.9	170.7	0	0	107.7	T334 L338	T334-E336 PolarHBondContact O-N 3.49Å; E336-L338 HydrophobicContact CB-CD1 4.1Å; E336-L338 HydrophobicContact CB-CG 4.08Å; E336-L338 PolarHBondContact O-N 3.1Å
337	S	53.5	Low	66.4	Low	85 Å²	85	85.2 Å²	85.2	59%	0.594	47%	0.467	S	S	*	.			trans	-66.5	61.5	-176.8	64.8	0	0	0	0	112.9	K349	S337-K349 WeakPolarHBondContact O-CA 3.4Å
338	L	62.5	Low	66.8	Low	51 Å²	51	81.4 Å²	81.4	27%	0.267	45%	0.45	S	S	.	.			trans	-106.8	129.5	-175	-71.5	177.7	0	0	0	109.5	E336 T347 K349	E336-L338 HydrophobicContact CB-CD1 4.1Å; E336-L338 HydrophobicContact CB-CG 4.08Å; E336-L338 PolarHBondContact O-N 3.1Å; L338-T347 HydrophobicContact CB-CG2 3.59Å; L338-T347 HydrophobicContact CD1-CG2 4.11Å; L338-T347 HydrophobicContact CD2-CG2 4.03Å; L338-T347 HydrophobicContact CG-CG2 4.11Å; L338-K349 HydrophobicContact CD2-CD 4.37Å; L338-K349 HydrophobicContact CD2-CG 3.48Å; L338-K349 VanDerWaalsContact CD2-CG 3.48Å
339	L	63.8	Low	66.9	Low	7 Å²	7	79.5 Å²	79.5	4%	0.037	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.8	173.3	-58.2	162.1	0	0	0	107.2	T347 T348 Y351 M354	L339-T347 CarbonylContact O-C 3.35Å; L339-T347 VanDerWaalsContact O-CA 3.22Å; L339-T347 WeakPolarHBondContact O-CA 3.35Å; L339-T348 HydrophobicContact CB-CG2 4.45Å; L339-T348 WeakPolarHBondContact CB-O 3.46Å; L339-T348 PolarHBondContact N-O 2.79Å; L339-T348 PolarHBondContact O-N 3.25Å; L339-Y351 HydrophobicContact CD1-CD1 3.2Å; L339-Y351 HydrophobicContact CD1-CD2 4.07Å; L339-Y351 HydrophobicContact CD1-CE1 3.31Å; L339-Y351 HydrophobicContact CD1-CE2 4.16Å; L339-Y351 HydrophobicContact CD1-CG 3.58Å; L339-Y351 HydrophobicContact CD2-CD1 3.86Å; L339-Y351 HydrophobicContact CD2-CE1 3.16Å; L339-Y351 HydrophobicContact CG-CD1 4.12Å; L339-Y351 HydrophobicContact CG-CE1 3.75Å; L339-M354 VanDerWaalsContact C-CE 3.43Å; L339-M354 HydrophobicContact CB-CB 4.31Å; L339-M354 HydrophobicContact CB-CE 3.83Å; L339-M354 HydrophobicContact CB-CG 4.35Å; L339-M354 HydrophobicContact CD1-CB 4.16Å; L339-M354 WeakPolarHBondContact O-CE 3.44Å
340	K	73.7	Confident	67	Low	105 Å²	105	80.2 Å²	80.2	46%	0.457	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.6	174.3	-171.6	175.9	179.3	-178.8	0	110.1	T347 M354	K340-T347 HydrophobicContact CB-CG2 4.48Å; K340-M354 VanDerWaalsContact C-CE 3.49Å
341	C	73	Confident	67.1	Low	6 Å²	6	81.9 Å²	81.9	4%	0.041	45%	0.449	C	S	.	.			trans	-68.1	138.3	172.5	-177.3	0	0	0	0	109.4	L343 C344 Y346 M354 H357	C341-L343 VanDerWaalsContact C-N 3.3Å; C341-L343 PolarHBondContact SG-N 3.32Å; C341-L343 VanDerWaalsContact SG-N 3.39Å; C341-C344 CarbonylContact C-O 3.6Å; C341-Y346 WeakPolarHBondContact CB-O 3.48Å; C341-Y346 PolarHBondContact N-O 3.21Å; C341-M354 HydrophobicContact CB-CE 4.03Å; C341-M354 HydrophobicContact CB-SD 3.97Å; C341-M354 VanDerWaalsContact N-CE 3.27Å; C341-H357 WeakPolarHBondContact CB-NE2 3.46Å; C341-H357 PolarHBondContact SG-NE2 2.87Å
342	K	73.7	Confident	67.9	Low	137 Å²	137	82.4 Å²	82.4	60%	0.596	45%	0.452	S	S	*	.	S	Bend	trans	-76.5	-19.8	176	-68.5	-169.2	175.1	-170.5	0	113.3	L311	L311-K342 HydrophobicContact CD2-CB 4.32Å
343	L	73.3	Confident	69.2	Low	112 Å²	112	81.6 Å²	81.6	59%	0.586	44%	0.444	S	S	*	.	S	Bend	trans	-97.2	-15.8	-174.8	-58.1	176.2	0	0	0	112.9	C341 H361	C341-L343 VanDerWaalsContact C-N 3.3Å; C341-L343 PolarHBondContact SG-N 3.32Å; C341-L343 VanDerWaalsContact SG-N 3.39Å; L343-H361 HydrophobicContact CD1-CB 3.5Å; L343-H361 VanDerWaalsContact CD1-CB 3.5Å
344	C	81.4	Confident	70.3	Confident	44 Å²	44	77.1 Å²	77.1	30%	0.297	42%	0.42	S	S	.	.	S	Bend	trans	-157	177.9	176.3	74.4	0	0	0	0	111.1	C341 Y346 H357	C341-C344 CarbonylContact C-O 3.6Å; C344-Y346 PolarHBondContact O-N 3.15Å; C344-Y346 WeakPolarHBondContact SG-CB 3.45Å; C344-Y346 PolarHBondContact SG-N 3.26Å; C344-Y346 VanDerWaalsContact SG-N 3.39Å; C344-H357 PolarHBondContact SG-CE1 3.33Å; C344-H357 PolarHBondContact SG-NE2 3.43Å
345	N	81.2	Confident	71.5	Confident	135 Å²	135	72.9 Å²	72.9	72%	0.722	39%	0.391	S	S	*	.	S	Bend	trans	-79.6	6	-178.4	-66.7	-27.7	0	0	0	114.8	T347	N345-T347 PolarHBondContact O-N 3.39Å; N345-T347 PolarHBondContact O-OG1 3.31Å
346	Y	80.7	Confident	73	Confident	88 Å²	88	70 Å²	70	35%	0.345	36%	0.355	S	S	.	.			trans	-61.7	128.7	177.8	-177.6	-99.7	0	0	0	110.9	C341 C344 T348 M354 H357	C341-Y346 WeakPolarHBondContact CB-O 3.48Å; C341-Y346 PolarHBondContact N-O 3.21Å; C344-Y346 PolarHBondContact O-N 3.15Å; C344-Y346 WeakPolarHBondContact SG-CB 3.45Å; C344-Y346 PolarHBondContact SG-N 3.26Å; C344-Y346 VanDerWaalsContact SG-N 3.39Å; Y346-T348 HydrophobicContact CE1-CG2 3.67Å; Y346-M354 HydrophobicContact CD1-CE 4.1Å; Y346-M354 HydrophobicContact CD1-SD 4.49Å; Y346-H357 VanDerWaalsContact CB-CE1 3.4Å; Y346-H357 WeakPolarHBondContact CB-CE1 3.27Å; Y346-H357 HydrophobicContact CD1-CB 3.71Å; Y346-H357 AromaticContact CD1-CD2 3.56Å; Y346-H357 AromaticContact CD1-CG 3.28Å; Y346-H357 AromaticContact CD1-ND1 3.61Å; Y346-H357 HydrophobicContact CE1-CB 3.63Å; Y346-H357 AromaticContact CE1-CG 3.76Å; Y346-H357 HydrophobicContact CG-CB 4.49Å; Y346-H357 AromaticContact CG-CE1 3.75Å; Y346-H357 AromaticContact CG-CG 3.75Å; Y346-H357 AromaticContact CG-ND1 3.55Å
347	T	78.4	Confident	74.3	Confident	58 Å²	58	65 Å²	65	36%	0.356	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.6	-178.8	-53.1	0	0	0	0	109.5	L338 L339 K340 N345	L338-T347 HydrophobicContact CB-CG2 3.59Å; L338-T347 HydrophobicContact CD1-CG2 4.11Å; L338-T347 HydrophobicContact CD2-CG2 4.03Å; L338-T347 HydrophobicContact CG-CG2 4.11Å; L339-T347 CarbonylContact O-C 3.35Å; L339-T347 VanDerWaalsContact O-CA 3.22Å; L339-T347 WeakPolarHBondContact O-CA 3.35Å; K340-T347 HydrophobicContact CB-CG2 4.48Å; N345-T347 PolarHBondContact O-N 3.39Å; N345-T347 PolarHBondContact O-OG1 3.31Å
348	T	77.3	Confident	75.3	Confident	14 Å²	14	61.1 Å²	61.1	9%	0.086	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.5	179	-173.6	0	0	0	0	111.7	L339 Y346 H350 N353 M354	L339-T348 HydrophobicContact CB-CG2 4.45Å; L339-T348 WeakPolarHBondContact CB-O 3.46Å; L339-T348 PolarHBondContact N-O 2.79Å; L339-T348 PolarHBondContact O-N 3.25Å; Y346-T348 HydrophobicContact CE1-CG2 3.67Å; T348-H350 VanDerWaalsContact C-N 3.3Å; T348-H350 VanDerWaalsContact CG2-O 3.25Å; T348-H350 WeakPolarHBondContact CG2-O 3.36Å; T348-H350 PolarHBondContact OG1-N 2.94Å; T348-N353 HydrophobicContact CG2-CB 3.96Å; T348-M354 HydrophobicContact CG2-CB 3.83Å; T348-M354 HydrophobicContact CG2-CE 4.18Å
349	K	76.6	Confident	76.3	Confident	122 Å²	122	59.8 Å²	59.8	53%	0.53	30%	0.295	S	S	.	.	S	Bend	trans	-77.8	-16.2	172.8	-64	-178.3	-179.7	-175.3	0	112.8	S337 L338	S337-K349 WeakPolarHBondContact O-CA 3.4Å; L338-K349 HydrophobicContact CD2-CD 4.37Å; L338-K349 HydrophobicContact CD2-CG 3.48Å; L338-K349 VanDerWaalsContact CD2-CG 3.48Å
350	H	75.6	Confident	76.7	Confident	117 Å²	117	63.8 Å²	63.8	54%	0.542	32%	0.32	S	S	.	.			trans	-110.7	124.5	-171.2	-63.6	-71.5	0	0	0	112.7	T348 S352 N353 M354	T348-H350 VanDerWaalsContact C-N 3.3Å; T348-H350 VanDerWaalsContact CG2-O 3.25Å; T348-H350 WeakPolarHBondContact CG2-O 3.36Å; T348-H350 PolarHBondContact OG1-N 2.94Å; H350-S352 VanDerWaalsContact C-N 3.35Å; H350-S352 PolarHBondContact O-N 2.81Å; H350-N353 HydrophobicContact CB-CB 4.19Å; H350-N353 WeakPolarHBondContact O-CB 3.48Å; H350-N353 PolarHBondContact O-N 3Å; H350-N353 VanDerWaalsContact O-N 3.09Å; H350-M354 PolarHBondContact O-N 3.3Å
351	Y	70.8	Confident	76.8	Confident	53 Å²	53	62.3 Å²	62.3	21%	0.208	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-38.2	179.4	-63.3	-83	0	0	0	113.8	L326 Q327 L339 N353 M354 Y355	L326-Y351 HydrophobicContact CB-CD1 4.38Å; Q327-Y351 HydrophobicContact CB-CD1 4.15Å; Q327-Y351 HydrophobicContact CB-CE1 3.43Å; Q327-Y351 VanDerWaalsContact CB-CE1 3.43Å; Q327-Y351 HydrophobicContact CB-CE2 4.32Å; Q327-Y351 HydrophobicContact CG-CE1 4.1Å; Q327-Y351 HydrophobicContact CG-CE2 4.38Å; Q327-Y351 WeakPolarHBondContact CG-OH 3.42Å; L339-Y351 HydrophobicContact CD1-CD1 3.2Å; L339-Y351 HydrophobicContact CD1-CD2 4.07Å; L339-Y351 HydrophobicContact CD1-CE1 3.31Å; L339-Y351 HydrophobicContact CD1-CE2 4.16Å; L339-Y351 HydrophobicContact CD1-CG 3.58Å; L339-Y351 HydrophobicContact CD2-CD1 3.86Å; L339-Y351 HydrophobicContact CD2-CE1 3.16Å; L339-Y351 HydrophobicContact CG-CD1 4.12Å; L339-Y351 HydrophobicContact CG-CE1 3.75Å; Y351-N353 VanDerWaalsContact C-N 3.25Å; Y351-N353 PolarHBondContact O-N 3.5Å; Y351-M354 PolarHBondContact O-N 3.11Å; Y351-Y355 WeakPolarHBondContact O-CB 3.38Å; Y351-Y355 PolarHBondContact O-N 3.38Å
352	S	74.6	Confident	76.8	Confident	62 Å²	62	65.7 Å²	65.7	43%	0.434	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-40.6	174.2	49.4	0	0	0	0	111.2	H350 Y355 V356	H350-S352 VanDerWaalsContact C-N 3.35Å; H350-S352 PolarHBondContact O-N 2.81Å; S352-Y355 PolarHBondContact O-N 3.38Å; S352-V356 WeakPolarHBondContact O-CB 3.4Å; S352-V356 VanDerWaalsContact O-CG2 3.25Å; S352-V356 WeakPolarHBondContact O-CG2 3.5Å; S352-V356 PolarHBondContact O-N 3.23Å
353	N	78.7	Confident	76.8	Confident	70 Å²	70	61.5 Å²	61.5	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-69.4	-40.3	176.9	-65.7	-7.8	0	0	0	111.3	T348 H350 Y351 V356 H357	T348-N353 HydrophobicContact CG2-CB 3.96Å; H350-N353 HydrophobicContact CB-CB 4.19Å; H350-N353 WeakPolarHBondContact O-CB 3.48Å; H350-N353 PolarHBondContact O-N 3Å; H350-N353 VanDerWaalsContact O-N 3.09Å; Y351-N353 VanDerWaalsContact C-N 3.25Å; Y351-N353 PolarHBondContact O-N 3.5Å; N353-V356 PolarHBondContact O-N 3.19Å; N353-H357 WeakPolarHBondContact O-CB 3.25Å; N353-H357 PolarHBondContact O-N 3.3Å
354	M	75.7	Confident	76.9	Confident	11 Å²	11	59.5 Å²	59.5	5%	0.054	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-44	175.1	-178.6	52.9	73.5	0	0	111.3	L339 K340 C341 Y346 T348 H350 Y351 V356 H357 I358	L339-M354 VanDerWaalsContact C-CE 3.43Å; L339-M354 HydrophobicContact CB-CB 4.31Å; L339-M354 HydrophobicContact CB-CE 3.83Å; L339-M354 HydrophobicContact CB-CG 4.35Å; L339-M354 HydrophobicContact CD1-CB 4.16Å; L339-M354 WeakPolarHBondContact O-CE 3.44Å; K340-M354 VanDerWaalsContact C-CE 3.49Å; C341-M354 HydrophobicContact CB-CE 4.03Å; C341-M354 HydrophobicContact CB-SD 3.97Å; C341-M354 VanDerWaalsContact N-CE 3.27Å; Y346-M354 HydrophobicContact CD1-CE 4.1Å; Y346-M354 HydrophobicContact CD1-SD 4.49Å; T348-M354 HydrophobicContact CG2-CB 3.83Å; T348-M354 HydrophobicContact CG2-CE 4.18Å; H350-M354 PolarHBondContact O-N 3.3Å; Y351-M354 PolarHBondContact O-N 3.11Å; M354-V356 PolarHBondContact O-N 3.34Å; M354-H357 WeakPolarHBondContact O-CB 3.37Å; M354-H357 PolarHBondContact O-N 2.95Å; M354-I358 HydrophobicContact CG-CD1 4.03Å; M354-I358 HydrophobicContact CG-CG1 4.47Å; M354-I358 VanDerWaalsContact O-CG1 3.29Å; M354-I358 WeakPolarHBondContact O-CG1 3.29Å; M354-I358 PolarHBondContact O-N 3.16Å; M354-I358 HydrophobicContact SD-CD1 4.21Å; M354-I358 HydrophobicContact SD-CG1 4.08Å
355	Y	76.5	Confident	76.9	Confident	30 Å²	30	62.6 Å²	62.6	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-45.8	178.1	179.9	-121.5	0	0	0	112	L322 L323 Y351 S352 H357 I358 R359	L322-Y355 HydrophobicContact CD2-CD2 3.93Å; L322-Y355 HydrophobicContact CD2-CE2 3.43Å; L322-Y355 VanDerWaalsContact CD2-CE2 3.43Å; L323-Y355 HydrophobicContact CD2-CG 4.4Å; Y351-Y355 WeakPolarHBondContact O-CB 3.38Å; Y351-Y355 PolarHBondContact O-N 3.38Å; S352-Y355 PolarHBondContact O-N 3.38Å; Y355-H357 VanDerWaalsContact C-N 3.32Å; Y355-H357 PolarHBondContact O-N 3.19Å; Y355-I358 PolarHBondContact O-N 3.15Å; Y355-R359 VanDerWaalsContact CE1-NH2 3.26Å; Y355-R359 PolarHBondContact O-N 3.42Å; Y355-R359 PolarHBondContact OH-NH2 2.78Å
356	V	78.2	Confident	76.7	Confident	34 Å²	34	59.1 Å²	59.1	21%	0.206	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-38.4	174.1	168.8	0	0	0	0	111.7	S352 N353 M354 R359 Q378	S352-V356 WeakPolarHBondContact O-CB 3.4Å; S352-V356 VanDerWaalsContact O-CG2 3.25Å; S352-V356 WeakPolarHBondContact O-CG2 3.5Å; S352-V356 PolarHBondContact O-N 3.23Å; N353-V356 PolarHBondContact O-N 3.19Å; M354-V356 PolarHBondContact O-N 3.34Å; V356-R359 WeakPolarHBondContact O-CB 3.21Å; V356-R359 PolarHBondContact O-N 3.33Å; V356-Q378 HydrophobicContact CG1-CG 3.53Å; V356-Q378 HydrophobicContact CG2-CG 4.49Å
357	H	82.4	Confident	76.4	Confident	23 Å²	23	59.3 Å²	59.3	11%	0.106	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-43.1	175.2	167.6	72.7	0	0	0	111.5	C341 C344 Y346 N353 M354 Y355 R359 T360 H361	C341-H357 WeakPolarHBondContact CB-NE2 3.46Å; C341-H357 PolarHBondContact SG-NE2 2.87Å; C344-H357 PolarHBondContact SG-CE1 3.33Å; C344-H357 PolarHBondContact SG-NE2 3.43Å; Y346-H357 VanDerWaalsContact CB-CE1 3.4Å; Y346-H357 WeakPolarHBondContact CB-CE1 3.27Å; Y346-H357 HydrophobicContact CD1-CB 3.71Å; Y346-H357 AromaticContact CD1-CD2 3.56Å; Y346-H357 AromaticContact CD1-CG 3.28Å; Y346-H357 AromaticContact CD1-ND1 3.61Å; Y346-H357 HydrophobicContact CE1-CB 3.63Å; Y346-H357 AromaticContact CE1-CG 3.76Å; Y346-H357 HydrophobicContact CG-CB 4.49Å; Y346-H357 AromaticContact CG-CE1 3.75Å; Y346-H357 AromaticContact CG-CG 3.75Å; Y346-H357 AromaticContact CG-ND1 3.55Å; N353-H357 WeakPolarHBondContact O-CB 3.25Å; N353-H357 PolarHBondContact O-N 3.3Å; M354-H357 WeakPolarHBondContact O-CB 3.37Å; M354-H357 PolarHBondContact O-N 2.95Å; Y355-H357 VanDerWaalsContact C-N 3.32Å; Y355-H357 PolarHBondContact O-N 3.19Å; H357-R359 PolarHBondContact O-N 2.71Å; H357-R359 VanDerWaalsContact O-N 3.1Å; H357-T360 WeakPolarHBondContact O-CB 3.41Å; H357-T360 WeakPolarHBondContact O-CG2 3.19Å; H357-T360 PolarHBondContact O-N 3.13Å; H357-T360 PolarHBondContact O-OG1 3.23Å; H357-H361 AromaticContact CE1-NE2 3.45Å; H357-H361 PolarHBondContact CE1-NE2 3.21Å; H357-H361 AromaticContact NE2-CD2 3.62Å; H357-H361 AromaticContact NE2-NE2 3.05Å; H357-H361 PolarHBondContact NE2-NE2 2.72Å
358	I	74.1	Confident	76.1	Confident	4 Å²	4	60 Å²	60	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-27.3	-179.2	-63.9	160.2	0	0	0	111.8	P310 L311 M354 Y355 T360 H361 T362	P310-I358 HydrophobicContact CB-CG2 3.58Å; P310-I358 HydrophobicContact CG-CB 4.12Å; P310-I358 HydrophobicContact CG-CD1 4Å; P310-I358 HydrophobicContact CG-CG2 3.29Å; L311-I358 HydrophobicContact CD1-CD1 4.42Å; L311-I358 HydrophobicContact CG-CD1 4.36Å; M354-I358 HydrophobicContact CG-CD1 4.03Å; M354-I358 HydrophobicContact CG-CG1 4.47Å; M354-I358 VanDerWaalsContact O-CG1 3.29Å; M354-I358 WeakPolarHBondContact O-CG1 3.29Å; M354-I358 PolarHBondContact O-N 3.16Å; M354-I358 HydrophobicContact SD-CD1 4.21Å; M354-I358 HydrophobicContact SD-CG1 4.08Å; Y355-I358 PolarHBondContact O-N 3.15Å; I358-T360 PolarHBondContact O-N 2.77Å; I358-T360 VanDerWaalsContact O-N 3.17Å; I358-H361 WeakPolarHBondContact O-CB 3.36Å; I358-H361 PolarHBondContact O-N 3.37Å; I358-T362 HydrophobicContact CG2-CG2 4.21Å; I358-T362 PolarHBondContact O-N 3.45Å; I358-T362 VanDerWaalsContact O-N 3.13Å
359	R	82.2	Confident	75.7	Confident	23 Å²	23	59.5 Å²	59.5	9%	0.087	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-22.2	172.2	-62.7	-175.3	173.3	156.2	3.1	113.9	Y355 V356 H357 H361 T362 G363 D364 T377	Y355-R359 VanDerWaalsContact CE1-NH2 3.26Å; Y355-R359 PolarHBondContact O-N 3.42Å; Y355-R359 PolarHBondContact OH-NH2 2.78Å; V356-R359 WeakPolarHBondContact O-CB 3.21Å; V356-R359 PolarHBondContact O-N 3.33Å; H357-R359 PolarHBondContact O-N 2.71Å; H357-R359 VanDerWaalsContact O-N 3.1Å; R359-H361 PolarHBondContact O-N 2.83Å; R359-T362 WeakPolarHBondContact CA-OG1 3.2Å; R359-G363 WeakPolarHBondContact O-CA 3.33Å; R359-G363 PolarHBondContact O-N 2.87Å; R359-D364 HydrophobicContact CB-CB 4.48Å; R359-D364 HydrophobicContact CG-CB 4.29Å; R359-D364 IonicContact NE-OD2 2.86Å; R359-D364 PolarHBondContact O-N 3.22Å; R359-T377 HydrophobicContact CB-CG2 4.48Å; R359-T377 PolarHBondContact NH1-O 3.31Å
360	T	72.9	Confident	75.3	Confident	91 Å²	91	59.8 Å²	59.8	56%	0.558	34%	0.336	S	S	*	.	H	α-helix	trans	-70.4	-24.9	174	70.9	0	0	0	0	112.3	H357 I358	H357-T360 WeakPolarHBondContact O-CB 3.41Å; H357-T360 WeakPolarHBondContact O-CG2 3.19Å; H357-T360 PolarHBondContact O-N 3.13Å; H357-T360 PolarHBondContact O-OG1 3.23Å; I358-T360 PolarHBondContact O-N 2.77Å; I358-T360 VanDerWaalsContact O-N 3.17Å
361	H	76.2	Confident	74.6	Confident	74 Å²	74	57.4 Å²	57.4	34%	0.343	34%	0.337	S	S	.	.	H	α-helix	trans	-87.6	-41.8	176.1	-63.1	-66.9	0	0	0	111.8	L343 H357 I358 R359 G363	L343-H361 HydrophobicContact CD1-CB 3.5Å; L343-H361 VanDerWaalsContact CD1-CB 3.5Å; H357-H361 AromaticContact CE1-NE2 3.45Å; H357-H361 PolarHBondContact CE1-NE2 3.21Å; H357-H361 AromaticContact NE2-CD2 3.62Å; H357-H361 AromaticContact NE2-NE2 3.05Å; H357-H361 PolarHBondContact NE2-NE2 2.72Å; I358-H361 WeakPolarHBondContact O-CB 3.36Å; I358-H361 PolarHBondContact O-N 3.37Å; R359-H361 PolarHBondContact O-N 2.83Å; H361-G363 VanDerWaalsContact C-N 3.28Å; H361-G363 PolarHBondContact O-N 3.31Å
362	T	73.3	Confident	74.2	Confident	78 Å²	78	57.7 Å²	57.7	48%	0.479	35%	0.346	S	S	.	.	H	α-helix	trans	-77.9	-15.7	-179.5	63.6	0	0	0	0	113.1	P310 I358 R359 D364	P310-T362 HydrophobicContact CB-CG2 4.15Å; I358-T362 HydrophobicContact CG2-CG2 4.21Å; I358-T362 PolarHBondContact O-N 3.45Å; I358-T362 VanDerWaalsContact O-N 3.13Å; R359-T362 WeakPolarHBondContact CA-OG1 3.2Å; T362-D364 PolarHBondContact O-N 2.94Å; T362-D364 WeakPolarHBondContact OG1-CB 3.28Å; T362-D364 PolarHBondContact OG1-N 2.94Å
363	G	73.4	Confident	74	Confident	48 Å²	48	57.2 Å²	57.2	50%	0.495	35%	0.351	S	S	.	.			trans	70.4	10.9	-173.5	0	0	0	0	0	113.7	R359 H361 K365	R359-G363 WeakPolarHBondContact O-CA 3.33Å; R359-G363 PolarHBondContact O-N 2.87Å; H361-G363 VanDerWaalsContact C-N 3.28Å; H361-G363 PolarHBondContact O-N 3.31Å; G363-K365 PolarHBondContact O-N 3.47Å
364	D	75.3	Confident	73.9	Confident	70 Å²	70	57.3 Å²	57.3	37%	0.374	35%	0.354	S	S	.	.			trans	-67.8	123.6	-177.5	-177.6	22.2	0	0	0	111.7	R359 T362	R359-D364 HydrophobicContact CB-CB 4.48Å; R359-D364 HydrophobicContact CG-CB 4.29Å; R359-D364 IonicContact NE-OD2 2.86Å; R359-D364 PolarHBondContact O-N 3.22Å; T362-D364 PolarHBondContact O-N 2.94Å; T362-D364 WeakPolarHBondContact OG1-CB 3.28Å; T362-D364 PolarHBondContact OG1-N 2.94Å
365	K	80.5	Confident	74.1	Confident	109 Å²	109	59.7 Å²	59.7	47%	0.474	37%	0.369	S	S	.	.			trans	-130.1	73.6	-175.7	-66.2	173.8	-174.4	-179.4	0	110.3	G363 Y367 T375 F376 T377	G363-K365 PolarHBondContact O-N 3.47Å; K365-Y367 PolarHBondContact O-N 3.14Å; K365-T375 VanDerWaalsContact CD-OG1 3.29Å; K365-T375 WeakPolarHBondContact CD-OG1 3.43Å; K365-F376 CarbonylContact C-O 3.47Å; K365-F376 WeakPolarHBondContact CA-O 3.44Å; K365-T377 HydrophobicContact CG-CG2 3.96Å
366	P	76.7	Confident	74	Confident	63 Å²	63	60 Å²	60	41%	0.409	37%	0.371	S	S	.	.			trans	-72.5	-13.2	-170.6	27.8	-34.6	0	0	0	113.8
367	Y	76	Confident	74	Confident	92 Å²	92	60.1 Å²	60.1	36%	0.361	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	106.5	-176.8	-57.2	-77	0	0	0	110.6	K365 T375 F376 G379	K365-Y367 PolarHBondContact O-N 3.14Å; Y367-T375 CarbonylContact O-C 3.53Å; Y367-T375 VanDerWaalsContact O-CA 3.28Å; Y367-T375 WeakPolarHBondContact O-CA 3.49Å; Y367-F376 PolarHBondContact N-O 3.05Å; Y367-F376 PolarHBondContact O-N 3.34Å; Y367-G379 VanDerWaalsContact CD2-N 3.27Å; Y367-G379 VanDerWaalsContact CE2-N 3.26Å
368	S	71.9	Confident	73.9	Confident	72 Å²	72	62.7 Å²	62.7	50%	0.503	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	146.5	175.9	62.8	0	0	0	0	112.1	V374 L382	S368-V374 CarbonylContact C-O 3.57Å; S368-L382 WeakPolarHBondContact O-CD2 3.42Å
369	C	68.3	Low	74	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.02	39%	0.393	C	S	.	.			trans	-82.4	121.5	167.6	-175.9	0	0	0	0	110	A371 G373 V374 L382 H385 H390	C369-A371 PolarHBondContact O-N 3.15Å; C369-A371 PolarHBondContact SG-N 3.31Å; C369-A371 VanDerWaalsContact SG-N 3.44Å; C369-G373 WeakPolarHBondContact O-CA 3.33Å; C369-G373 PolarHBondContact O-N 3.03Å; C369-V374 PolarHBondContact N-O 3.33Å; C369-L382 HydrophobicContact CB-CD1 3.71Å; C369-H385 PolarHBondContact SG-NE2 3.01Å; C369-H385 VanDerWaalsContact SG-NE2 3.37Å; C369-H390 PolarHBondContact SG-CD2 3.39Å; C369-H390 PolarHBondContact SG-NE2 3.28Å; C369-H390 VanDerWaalsContact SG-NE2 3.41Å
370	S	68.5	Low	73.9	Confident	128 Å²	128	65.2 Å²	65.2	90%	0.895	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20	176.8	56.5	0	0	0	0	114.1
371	A	59.5	Low	74.2	Confident	68 Å²	68	63 Å²	63	56%	0.562	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-30.9	-177.3	0	0	0	0	0	113.9	C369	C369-A371 PolarHBondContact O-N 3.15Å; C369-A371 PolarHBondContact SG-N 3.31Å; C369-A371 VanDerWaalsContact SG-N 3.44Å
372	C	62.6	Low	74.3	Confident	59 Å²	59	60.7 Å²	60.7	40%	0.399	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-3.5	-179.9	67.3	0	0	0	0	115	V374 H385 H390	C372-V374 HydrophobicContact CB-CG2 4.47Å; C372-V374 PolarHBondContact O-N 3.18Å; C372-V374 VanDerWaalsContact SG-CG2 3.51Å; C372-H385 PolarHBondContact SG-CE1 2.92Å; C372-H385 PolarHBondContact SG-NE2 3.28Å; C372-H390 PolarHBondContact SG-NE2 3.3Å
373	G	70.4	Confident	74.5	Confident	51 Å²	51	64.5 Å²	64.5	53%	0.526	40%	0.397	S	S	.	.			trans	76.1	-6.3	-179.3	0	0	0	0	0	115.5	C369 T375	C369-G373 WeakPolarHBondContact O-CA 3.33Å; C369-G373 PolarHBondContact O-N 3.03Å; G373-T375 PolarHBondContact O-N 3.09Å
374	V	78	Confident	74.6	Confident	72 Å²	72	67.1 Å²	67.1	44%	0.436	40%	0.399	S	S	.	.			trans	-62.8	131.5	-179.6	178.9	0	0	0	0	110.5	S368 C369 C372 F376	S368-V374 CarbonylContact C-O 3.57Å; C369-V374 PolarHBondContact N-O 3.33Å; C372-V374 HydrophobicContact CB-CG2 4.47Å; C372-V374 PolarHBondContact O-N 3.18Å; C372-V374 VanDerWaalsContact SG-CG2 3.51Å; V374-F376 HydrophobicContact CB-CE2 4.17Å; V374-F376 HydrophobicContact CB-CZ 4.17Å; V374-F376 HydrophobicContact CG1-CE1 4.12Å; V374-F376 HydrophobicContact CG1-CE2 3.85Å; V374-F376 HydrophobicContact CG1-CZ 3.52Å; V374-F376 WeakPolarHBondContact O-CE2 3.35Å
375	T	78.7	Confident	74.5	Confident	61 Å²	61	64.7 Å²	64.7	37%	0.374	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.8	-178.1	61.9	0	0	0	0	112.7	K365 Y367 G373	K365-T375 VanDerWaalsContact CD-OG1 3.29Å; K365-T375 WeakPolarHBondContact CD-OG1 3.43Å; Y367-T375 CarbonylContact O-C 3.53Å; Y367-T375 VanDerWaalsContact O-CA 3.28Å; Y367-T375 WeakPolarHBondContact O-CA 3.49Å; G373-T375 PolarHBondContact O-N 3.09Å
376	F	75.7	Confident	73.7	Confident	37 Å²	37	62.7 Å²	62.7	16%	0.162	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.2	-174.1	-57.2	-86.9	0	0	0	110.9	K365 Y367 V374 Q378 L382 H385	K365-F376 CarbonylContact C-O 3.47Å; K365-F376 WeakPolarHBondContact CA-O 3.44Å; Y367-F376 PolarHBondContact N-O 3.05Å; Y367-F376 PolarHBondContact O-N 3.34Å; V374-F376 HydrophobicContact CB-CE2 4.17Å; V374-F376 HydrophobicContact CB-CZ 4.17Å; V374-F376 HydrophobicContact CG1-CE1 4.12Å; V374-F376 HydrophobicContact CG1-CE2 3.85Å; V374-F376 HydrophobicContact CG1-CZ 3.52Å; V374-F376 WeakPolarHBondContact O-CE2 3.35Å; F376-Q378 VanDerWaalsContact C-N 3.32Å; F376-L382 HydrophobicContact CB-CB 4.47Å; F376-L382 HydrophobicContact CD2-CB 3.78Å; F376-L382 HydrophobicContact CD2-CD1 3.82Å; F376-L382 HydrophobicContact CD2-CG 4.4Å; F376-L382 HydrophobicContact CE2-CB 4.4Å; F376-L382 HydrophobicContact CE2-CD1 3.81Å; F376-L382 HydrophobicContact CG-CB 4.28Å; F376-H385 HydrophobicContact CE1-CB 3.95Å; F376-H385 HydrophobicContact CE2-CB 3.89Å; F376-H385 AromaticContact CE2-CD2 3.81Å; F376-H385 AromaticContact CE2-CG 3.74Å; F376-H385 HydrophobicContact CZ-CB 3.35Å; F376-H385 AromaticContact CZ-CD2 3.83Å; F376-H385 AromaticContact CZ-CG 3.29Å; F376-H385 AromaticContact CZ-ND1 3.62Å
377	T	77.3	Confident	72.8	Confident	37 Å²	37	65.8 Å²	65.8	23%	0.227	38%	0.383	C	S	.	.	S	Bend	trans	-74.8	-22.6	176	56.2	0	0	0	0	112.8	R359 K365	R359-T377 HydrophobicContact CB-CG2 4.48Å; R359-T377 PolarHBondContact NH1-O 3.31Å; K365-T377 HydrophobicContact CG-CG2 3.96Å
378	Q	81.3	Confident	71.9	Confident	77 Å²	77	63.8 Å²	63.8	36%	0.36	38%	0.382	S	S	.	.	S	Bend	trans	-132.1	144.8	-178.5	-61.5	-174.2	32.6	0	0	112.4	V356 F376 S380 S381 L382	V356-Q378 HydrophobicContact CG1-CG 3.53Å; V356-Q378 HydrophobicContact CG2-CG 4.49Å; F376-Q378 VanDerWaalsContact C-N 3.32Å; Q378-S380 VanDerWaalsContact C-N 3.31Å; Q378-S380 PolarHBondContact O-N 3.44Å; Q378-S380 PolarHBondContact OE1-OG 3.29Å; Q378-S381 PolarHBondContact O-N 3.02Å; Q378-L382 PolarHBondContact O-N 3.41Å
379	G	75.7	Confident	71.1	Confident	20 Å²	20	69.1 Å²	69.1	21%	0.206	39%	0.391	C	S	.	.	H	α-helix	trans	-69.2	-26.1	177.2	0	0	0	0	0	113.9	Y367 L382 K383	Y367-G379 VanDerWaalsContact CD2-N 3.27Å; Y367-G379 VanDerWaalsContact CE2-N 3.26Å; G379-L382 PolarHBondContact O-N 2.79Å; G379-K383 WeakPolarHBondContact O-CG 3.37Å; G379-K383 PolarHBondContact O-N 3.33Å
380	S	80.4	Confident	70.7	Confident	59 Å²	59	72.6 Å²	72.6	41%	0.413	41%	0.407	S	S	.	.	H	α-helix	trans	-61.8	-45	172.4	49.5	0	0	0	0	111.4	Q378 K383 L384	Q378-S380 VanDerWaalsContact C-N 3.31Å; Q378-S380 PolarHBondContact O-N 3.44Å; Q378-S380 PolarHBondContact OE1-OG 3.29Å; S380-K383 WeakPolarHBondContact O-CB 3.48Å; S380-K383 PolarHBondContact O-N 2.85Å; S380-L384 WeakPolarHBondContact O-CG 3.48Å; S380-L384 PolarHBondContact O-N 3.37Å
381	S	78.8	Confident	70	Confident	44 Å²	44	68.4 Å²	68.4	31%	0.308	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-43.3	176.2	-54.1	0	0	0	0	111.8	Q378 K383 L384 H385	Q378-S381 PolarHBondContact O-N 3.02Å; S381-K383 PolarHBondContact O-N 3.37Å; S381-L384 PolarHBondContact O-N 3.39Å; S381-H385 WeakPolarHBondContact O-CB 3.35Å; S381-H385 PolarHBondContact O-N 3.1Å
382	L	78.8	Confident	69.4	Low	26 Å²	26	70.1 Å²	70.1	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-59	-45.9	172.3	173.7	61.3	0	0	0	111.6	S368 C369 F376 Q378 G379 L384 H385 I386	S368-L382 WeakPolarHBondContact O-CD2 3.42Å; C369-L382 HydrophobicContact CB-CD1 3.71Å; F376-L382 HydrophobicContact CB-CB 4.47Å; F376-L382 HydrophobicContact CD2-CB 3.78Å; F376-L382 HydrophobicContact CD2-CD1 3.82Å; F376-L382 HydrophobicContact CD2-CG 4.4Å; F376-L382 HydrophobicContact CE2-CB 4.4Å; F376-L382 HydrophobicContact CE2-CD1 3.81Å; F376-L382 HydrophobicContact CG-CB 4.28Å; Q378-L382 PolarHBondContact O-N 3.41Å; G379-L382 PolarHBondContact O-N 2.79Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.33Å; L382-H385 WeakPolarHBondContact O-CB 3.34Å; L382-H385 PolarHBondContact O-N 2.83Å; L382-I386 HydrophobicContact CD1-CD1 3.78Å; L382-I386 HydrophobicContact CD1-CG1 3.94Å; L382-I386 HydrophobicContact CD2-CD1 4.47Å; L382-I386 HydrophobicContact CG-CD1 3.84Å; L382-I386 HydrophobicContact CG-CG1 4.4Å; L382-I386 WeakPolarHBondContact O-CG1 3.33Å; L382-I386 PolarHBondContact O-N 3.46Å
383	K	75.8	Confident	68.7	Low	159 Å²	159	68.4 Å²	68.4	69%	0.691	36%	0.361	S	S	*	.	H	α-helix	trans	-60.7	-42.4	177.8	-76.1	175.6	-176.4	178.5	0	112	G379 S380 S381 R387	G379-K383 WeakPolarHBondContact O-CG 3.37Å; G379-K383 PolarHBondContact O-N 3.33Å; S380-K383 WeakPolarHBondContact O-CB 3.48Å; S380-K383 PolarHBondContact O-N 2.85Å; S381-K383 PolarHBondContact O-N 3.37Å; K383-R387 VanDerWaalsContact O-CB 3.25Å; K383-R387 WeakPolarHBondContact O-CB 3.41Å; K383-R387 PolarHBondContact O-N 3.48Å
384	L	75.5	Confident	67.4	Low	102 Å²	102	69.6 Å²	69.6	53%	0.534	35%	0.354	S	S	.	.	H	α-helix	trans	-65.7	-41.1	175.8	-72.8	176.3	0	0	0	112	S380 S381 L382 R387 S388	S380-L384 WeakPolarHBondContact O-CG 3.48Å; S380-L384 PolarHBondContact O-N 3.37Å; S381-L384 PolarHBondContact O-N 3.39Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.33Å; L384-R387 PolarHBondContact O-N 3.46Å; L384-S388 WeakPolarHBondContact O-CB 3.48Å; L384-S388 PolarHBondContact O-N 2.89Å; L384-S388 PolarHBondContact O-OG 2.85Å
385	H	75.2	Confident	65.9	Low	19 Å²	19	71.8 Å²	71.8	9%	0.088	36%	0.36	C	S	.	.	H	α-helix	trans	-61.5	-51.2	174.9	164.1	84.1	0	0	0	111.5	C369 C372 F376 S381 L382 R387 S388 R389 H390	C369-H385 PolarHBondContact SG-NE2 3.01Å; C369-H385 VanDerWaalsContact SG-NE2 3.37Å; C372-H385 PolarHBondContact SG-CE1 2.92Å; C372-H385 PolarHBondContact SG-NE2 3.28Å; F376-H385 HydrophobicContact CE1-CB 3.95Å; F376-H385 HydrophobicContact CE2-CB 3.89Å; F376-H385 AromaticContact CE2-CD2 3.81Å; F376-H385 AromaticContact CE2-CG 3.74Å; F376-H385 HydrophobicContact CZ-CB 3.35Å; F376-H385 AromaticContact CZ-CD2 3.83Å; F376-H385 AromaticContact CZ-CG 3.29Å; F376-H385 AromaticContact CZ-ND1 3.62Å; S381-H385 WeakPolarHBondContact O-CB 3.35Å; S381-H385 PolarHBondContact O-N 3.1Å; L382-H385 WeakPolarHBondContact O-CB 3.34Å; L382-H385 PolarHBondContact O-N 2.83Å; H385-R387 VanDerWaalsContact C-N 3.26Å; H385-R387 PolarHBondContact O-N 3.25Å; H385-S388 PolarHBondContact O-N 2.84Å; H385-S388 VanDerWaalsContact O-N 3.1Å; H385-S388 PolarHBondContact O-OG 3.43Å; H385-R389 WeakPolarHBondContact O-CB 3.25Å; H385-R389 PolarHBondContact O-N 3.42Å; H385-H390 AromaticContact CD2-CD2 3.86Å; H385-H390 AromaticContact CE1-NE2 3.59Å; H385-H390 AromaticContact NE2-CD2 3.29Å; H385-H390 PolarHBondContact NE2-CD2 2.81Å; H385-H390 VanDerWaalsContact NE2-CD2 3.29Å; H385-H390 AromaticContact NE2-NE2 3.02Å; H385-H390 PolarHBondContact NE2-NE2 2.88Å
386	I	63	Low	64	Low	68 Å²	68	69.9 Å²	69.9	35%	0.349	35%	0.346	S	S	.	.	I	π-helix	trans	-56.8	-46.8	175.5	-67.2	167.9	0	0	0	109.2	L382 S388 H390 N391	L382-I386 HydrophobicContact CD1-CD1 3.78Å; L382-I386 HydrophobicContact CD1-CG1 3.94Å; L382-I386 HydrophobicContact CD2-CD1 4.47Å; L382-I386 HydrophobicContact CG-CD1 3.84Å; L382-I386 HydrophobicContact CG-CG1 4.4Å; L382-I386 WeakPolarHBondContact O-CG1 3.33Å; L382-I386 PolarHBondContact O-N 3.46Å; I386-S388 VanDerWaalsContact C-N 3.28Å; I386-S388 PolarHBondContact O-N 3.33Å; I386-H390 HydrophobicContact CG2-CB 4.48Å; I386-H390 CarbonylContact O-C 3.08Å; I386-H390 PolarHBondContact O-N 3.25Å; I386-N391 VanDerWaalsContact O-CB 3.32Å; I386-N391 WeakPolarHBondContact O-CB 3.41Å; I386-N391 PolarHBondContact O-N 2.77Å
387	R	56.7	Low	62.4	Low	128 Å²	128	70.7 Å²	70.7	48%	0.483	35%	0.35	S	S	.	.	I	π-helix	trans	-62.5	-33.2	-180	-171	153.4	75.5	119	-2.1	113.1	K383 L384 H385 N391 I394	K383-R387 VanDerWaalsContact O-CB 3.25Å; K383-R387 WeakPolarHBondContact O-CB 3.41Å; K383-R387 PolarHBondContact O-N 3.48Å; L384-R387 PolarHBondContact O-N 3.46Å; H385-R387 VanDerWaalsContact C-N 3.26Å; H385-R387 PolarHBondContact O-N 3.25Å; R387-N391 WeakPolarHBondContact O-CB 3.3Å; R387-I394 HydrophobicContact CG-CG1 4.39Å; R387-I394 WeakPolarHBondContact O-CD1 2.98Å; R387-I394 WeakPolarHBondContact O-CG1 3.48Å
388	S	57.5	Low	60.9	Low	50 Å²	50	71 Å²	71	35%	0.35	35%	0.354	S	S	.	.	I	π-helix	trans	-97.8	-25.2	-174.7	60.3	0	0	0	0	116.1	L384 H385 I386	L384-S388 WeakPolarHBondContact O-CB 3.48Å; L384-S388 PolarHBondContact O-N 2.89Å; L384-S388 PolarHBondContact O-OG 2.85Å; H385-S388 PolarHBondContact O-N 2.84Å; H385-S388 VanDerWaalsContact O-N 3.1Å; H385-S388 PolarHBondContact O-OG 3.43Å; I386-S388 VanDerWaalsContact C-N 3.28Å; I386-S388 PolarHBondContact O-N 3.33Å
389	R	56	Low	59	Low	184 Å²	184	68.5 Å²	68.5	69%	0.694	34%	0.342	S	S	*	.	I	π-helix	trans	-112.1	-29.4	-174	-56.1	-62.6	153.2	74.7	-2.2	113.3	H385	H385-R389 WeakPolarHBondContact O-CB 3.25Å; H385-R389 PolarHBondContact O-N 3.42Å
390	H	59.9	Low	57.4	Low	75 Å²	75	69 Å²	69	35%	0.347	34%	0.34	S	S	.	.	I	π-helix	trans	-115	-19.6	-176.2	-62.6	-56.7	0	0	0	113.6	C369 C372 H385 I386 D392	C369-H390 PolarHBondContact SG-CD2 3.39Å; C369-H390 PolarHBondContact SG-NE2 3.28Å; C369-H390 VanDerWaalsContact SG-NE2 3.41Å; C372-H390 PolarHBondContact SG-NE2 3.3Å; H385-H390 AromaticContact CD2-CD2 3.86Å; H385-H390 AromaticContact CE1-NE2 3.59Å; H385-H390 AromaticContact NE2-CD2 3.29Å; H385-H390 PolarHBondContact NE2-CD2 2.81Å; H385-H390 VanDerWaalsContact NE2-CD2 3.29Å; H385-H390 AromaticContact NE2-NE2 3.02Å; H385-H390 PolarHBondContact NE2-NE2 2.88Å; I386-H390 HydrophobicContact CG2-CB 4.48Å; I386-H390 CarbonylContact O-C 3.08Å; I386-H390 PolarHBondContact O-N 3.25Å; H390-D392 PolarHBondContact O-N 3.28Å
391	N	52.7	Low	55.6	Low	40 Å²	40	77 Å²	77	21%	0.214	36%	0.361	C	S	.	.			trans	-93.6	103	178.8	-149.1	-0.2	0	0	0	108.6	I386 R387 N393 I394	I386-N391 VanDerWaalsContact O-CB 3.32Å; I386-N391 WeakPolarHBondContact O-CB 3.41Å; I386-N391 PolarHBondContact O-N 2.77Å; R387-N391 WeakPolarHBondContact O-CB 3.3Å; N391-N393 HydrophobicContact CB-CB 4.4Å; N391-N393 VanDerWaalsContact CG-CB 3.45Å; N391-N393 PolarHBondContact O-N 3.47Å; N391-N393 WeakPolarHBondContact OD1-CB 3.45Å; N391-N393 PolarHBondContact OD1-N 3.07Å; N391-N393 PolarHBondContact OD1-ND2 3Å; N391-I394 PolarHBondContact O-N 2.78Å
392	D	48.4	Very low	54.1	Low	105 Å²	105	81.4 Å²	81.4	56%	0.561	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-12.6	162.9	-70.3	-34.8	0	0	0	111.4	H390 I394	H390-D392 PolarHBondContact O-N 3.28Å; D392-I394 PolarHBondContact O-N 3.2Å
393	N	45.9	Very low	52.4	Low	22 Å²	22	85 Å²	85	12%	0.118	40%	0.402	C	S	.	.	H	α-helix	trans	-73.1	-2.9	178.3	-64	-42.6	0	0	0	117.1	N391 Q395 Y396 F397	N391-N393 HydrophobicContact CB-CB 4.4Å; N391-N393 VanDerWaalsContact CG-CB 3.45Å; N391-N393 PolarHBondContact O-N 3.47Å; N391-N393 WeakPolarHBondContact OD1-CB 3.45Å; N391-N393 PolarHBondContact OD1-N 3.07Å; N391-N393 PolarHBondContact OD1-ND2 3Å; N393-Q395 PolarHBondContact O-N 3.19Å; N393-Y396 VanDerWaalsContact CA-CB 3.49Å; N393-Y396 HydrophobicContact CB-CD1 4.26Å; N393-Y396 PolarHBondContact O-N 3.44Å; N393-Y396 VanDerWaalsContact O-N 3.14Å; N393-Y396 VanDerWaalsContact OD1-CB 3.27Å; N393-Y396 WeakPolarHBondContact OD1-CB 3.42Å; N393-Y396 VanDerWaalsContact OD1-CD1 3.26Å; N393-Y396 WeakPolarHBondContact OD1-CD1 3.32Å; N393-F397 HydrophobicContact CB-CD2 3.51Å; N393-F397 HydrophobicContact CB-CE2 3.5Å; N393-F397 WeakPolarHBondContact O-CB 3.25Å; N393-F397 VanDerWaalsContact O-CD2 3.23Å; N393-F397 WeakPolarHBondContact O-CD2 3.37Å; N393-F397 PolarHBondContact O-N 3.38Å
394	I	44.9	Very low	51.1	Low	76 Å²	76	81.3 Å²	81.3	39%	0.39	39%	0.39	S	S	.	.	H	α-helix	trans	-56.7	-45.9	170	-68.9	-152	0	0	0	109.8	R387 N391 D392 S398	R387-I394 HydrophobicContact CG-CG1 4.39Å; R387-I394 WeakPolarHBondContact O-CD1 2.98Å; R387-I394 WeakPolarHBondContact O-CG1 3.48Å; N391-I394 PolarHBondContact O-N 2.78Å; D392-I394 PolarHBondContact O-N 3.2Å; I394-S398 WeakPolarHBondContact O-CB 3.37Å; I394-S398 PolarHBondContact O-N 3.45Å; I394-S398 VanDerWaalsContact O-N 3.17Å; I394-S398 PolarHBondContact O-OG 2.66Å
395	Q	45.1	Very low	49.8	Very low	118 Å²	118	81.6 Å²	81.6	55%	0.551	39%	0.386	S	S	*	.	H	α-helix	trans	-69.5	-37.6	175.8	-60.6	-65.9	-3.5	0	0	110.5	N393 S398 L399 L411	N393-Q395 PolarHBondContact O-N 3.19Å; Q395-S398 WeakPolarHBondContact CA-OG 3.45Å; Q395-S398 PolarHBondContact O-OG 3.44Å; Q395-L399 VanDerWaalsContact O-CB 3.24Å; Q395-L399 WeakPolarHBondContact O-CB 3.47Å; Q395-L399 VanDerWaalsContact O-CD1 3.27Å; Q395-L399 WeakPolarHBondContact O-CD1 3.15Å; Q395-L399 WeakPolarHBondContact O-CG 3.43Å; Q395-L399 PolarHBondContact O-N 3.46Å; Q395-L411 HydrophobicContact CB-CD1 3.81Å
396	Y	39.9	Very low	48.6	Very low	22 Å²	22	84.9 Å²	84.9	9%	0.086	41%	0.405	C	S	.	.	H	α-helix	trans	-63.1	-51.2	177.1	-174.9	-111.9	0	0	0	114.1	N393 L399 I400 L408 L411 W412 L489	N393-Y396 VanDerWaalsContact CA-CB 3.49Å; N393-Y396 HydrophobicContact CB-CD1 4.26Å; N393-Y396 PolarHBondContact O-N 3.44Å; N393-Y396 VanDerWaalsContact O-N 3.14Å; N393-Y396 VanDerWaalsContact OD1-CB 3.27Å; N393-Y396 WeakPolarHBondContact OD1-CB 3.42Å; N393-Y396 VanDerWaalsContact OD1-CD1 3.26Å; N393-Y396 WeakPolarHBondContact OD1-CD1 3.32Å; Y396-L399 CarbonylContact O-C 3.59Å; Y396-L399 PolarHBondContact O-N 3.19Å; Y396-I400 HydrophobicContact CD1-CD1 3.81Å; Y396-I400 HydrophobicContact CE1-CD1 3.3Å; Y396-I400 HydrophobicContact CE1-CG1 4.29Å; Y396-I400 HydrophobicContact CE2-CD1 4.29Å; Y396-I400 HydrophobicContact CG-CD1 4.49Å; Y396-I400 WeakPolarHBondContact O-CG1 3.36Å; Y396-I400 PolarHBondContact O-N 2.78Å; Y396-L408 HydrophobicContact CD2-CD1 4.18Å; Y396-L408 HydrophobicContact CE2-CD1 3.84Å; Y396-L408 HydrophobicContact CE2-CD2 4.19Å; Y396-L408 HydrophobicContact CE2-CG 4.02Å; Y396-L411 HydrophobicContact CD2-CD2 3.78Å; Y396-L411 HydrophobicContact CG-CD2 4.22Å; Y396-W412 HydrophobicContact CE2-CZ2 4.45Å; Y396-W412 AromaticContact CE2-NE1 3.67Å; Y396-L489 HydrophobicContact CE1-CD1 4.08Å; Y396-L489 HydrophobicContact CE1-CD2 4.35Å; Y396-L489 WeakPolarHBondContact OH-CD1 3.39Å
397	F	42.4	Very low	48	Very low	54 Å²	54	83.8 Å²	83.8	24%	0.237	40%	0.4	C	S	.	.	H	α-helix	trans	-67.6	-40.2	-179	-77	-65.9	0	0	0	111.8	N393 L399 I400 R401 L489 I492	N393-F397 HydrophobicContact CB-CD2 3.51Å; N393-F397 HydrophobicContact CB-CE2 3.5Å; N393-F397 WeakPolarHBondContact O-CB 3.25Å; N393-F397 VanDerWaalsContact O-CD2 3.23Å; N393-F397 WeakPolarHBondContact O-CD2 3.37Å; N393-F397 PolarHBondContact O-N 3.38Å; F397-L399 VanDerWaalsContact C-N 3.28Å; F397-L399 PolarHBondContact O-N 3.44Å; F397-I400 PolarHBondContact O-N 3.45Å; F397-R401 PolarHBondContact O-N 2.82Å; F397-L489 HydrophobicContact CE1-CD2 4.23Å; F397-I492 HydrophobicContact CE1-CD1 4.45Å
398	S	44.4	Very low	47.5	Very low	44 Å²	44	78.9 Å²	78.9	31%	0.308	38%	0.383	S	S	.	.	H	α-helix	trans	-62.9	-36.8	173.4	54.5	0	0	0	0	111.4	I394 Q395 R401 K402	I394-S398 WeakPolarHBondContact O-CB 3.37Å; I394-S398 PolarHBondContact O-N 3.45Å; I394-S398 VanDerWaalsContact O-N 3.17Å; I394-S398 PolarHBondContact O-OG 2.66Å; Q395-S398 WeakPolarHBondContact CA-OG 3.45Å; Q395-S398 PolarHBondContact O-OG 3.44Å; S398-R401 WeakPolarHBondContact O-CB 3.46Å; S398-R401 PolarHBondContact O-N 3.06Å; S398-K402 WeakPolarHBondContact O-CG 3.32Å; S398-K402 PolarHBondContact O-N 3.31Å
399	L	42.8	Very low	47.1	Very low	23 Å²	23	78.4 Å²	78.4	12%	0.12	38%	0.378	C	S	.	.	H	α-helix	trans	-74.9	-29.7	174.3	-66.3	166.5	0	0	0	113.5	Q395 Y396 F397 R401 K402 N407 L411	Q395-L399 VanDerWaalsContact O-CB 3.24Å; Q395-L399 WeakPolarHBondContact O-CB 3.47Å; Q395-L399 VanDerWaalsContact O-CD1 3.27Å; Q395-L399 WeakPolarHBondContact O-CD1 3.15Å; Q395-L399 WeakPolarHBondContact O-CG 3.43Å; Q395-L399 PolarHBondContact O-N 3.46Å; Y396-L399 CarbonylContact O-C 3.59Å; Y396-L399 PolarHBondContact O-N 3.19Å; F397-L399 VanDerWaalsContact C-N 3.28Å; F397-L399 PolarHBondContact O-N 3.44Å; L399-R401 VanDerWaalsContact C-N 3.3Å; L399-K402 HydrophobicContact CD2-CD 4.45Å; L399-K402 CarbonylContact O-C 3.59Å; L399-K402 WeakPolarHBondContact O-CA 3.32Å; L399-K402 PolarHBondContact O-N 3.19Å; L399-N407 HydrophobicContact CB-CB 4.39Å; L399-N407 HydrophobicContact CD2-CB 3.7Å; L399-N407 HydrophobicContact CG-CB 4.47Å; L399-L411 HydrophobicContact CD1-CB 3.89Å; L399-L411 HydrophobicContact CD1-CD1 4.14Å; L399-L411 HydrophobicContact CD1-CD2 4.19Å; L399-L411 HydrophobicContact CD1-CG 4.3Å
400	I	41.9	Very low	47	Very low	30 Å²	30	75.5 Å²	75.5	15%	0.154	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-40.8	168.9	-74.8	177	0	0	0	110.3	Y396 F397 K402 S403 L408 L489 I497	Y396-I400 HydrophobicContact CD1-CD1 3.81Å; Y396-I400 HydrophobicContact CE1-CD1 3.3Å; Y396-I400 HydrophobicContact CE1-CG1 4.29Å; Y396-I400 HydrophobicContact CE2-CD1 4.29Å; Y396-I400 HydrophobicContact CG-CD1 4.49Å; Y396-I400 WeakPolarHBondContact O-CG1 3.36Å; Y396-I400 PolarHBondContact O-N 2.78Å; F397-I400 PolarHBondContact O-N 3.45Å; I400-K402 PolarHBondContact O-N 3.22Å; I400-S403 PolarHBondContact O-N 3.42Å; I400-L408 HydrophobicContact CG1-CD1 3.75Å; I400-L489 HydrophobicContact CD1-CD2 4.01Å; I400-I497 HydrophobicContact CG2-CD1 3.51Å; I400-I497 HydrophobicContact CG2-CG1 4.18Å
401	R	43	Very low	46.6	Very low	229 Å²	229	72.5 Å²	72.5	86%	0.864	36%	0.357	S	S	*	.	H	α-helix	trans	-61.2	-38	174.9	-135.7	178.5	-154.1	161	3.8	110.8	F397 S398 L399 S403	F397-R401 PolarHBondContact O-N 2.82Å; S398-R401 WeakPolarHBondContact O-CB 3.46Å; S398-R401 PolarHBondContact O-N 3.06Å; L399-R401 VanDerWaalsContact C-N 3.3Å; R401-S403 VanDerWaalsContact C-N 3.27Å; R401-S403 PolarHBondContact O-N 3.42Å; R401-S403 VanDerWaalsContact O-N 3.1Å
402	K	45.4	Very low	46.4	Very low	135 Å²	135	71.8 Å²	71.8	59%	0.587	35%	0.351	S	S	*	.	S	Bend	trans	-82.5	69.6	169.3	-62.6	178.6	179.8	-175.2	0	110.1	S398 L399 I400 N404	S398-K402 WeakPolarHBondContact O-CG 3.32Å; S398-K402 PolarHBondContact O-N 3.31Å; L399-K402 HydrophobicContact CD2-CD 4.45Å; L399-K402 CarbonylContact O-C 3.59Å; L399-K402 WeakPolarHBondContact O-CA 3.32Å; L399-K402 PolarHBondContact O-N 3.19Å; I400-K402 PolarHBondContact O-N 3.22Å; K402-N404 PolarHBondContact O-N 2.87Å
403	S	44.1	Very low	46.5	Very low	101 Å²	101	68.3 Å²	68.3	71%	0.706	33%	0.334	S	S	*	.			trans	-28.9	8.9	-177.8	63.4	0	0	0	0	122.4	I400 R401	I400-S403 PolarHBondContact O-N 3.42Å; R401-S403 VanDerWaalsContact C-N 3.27Å; R401-S403 PolarHBondContact O-N 3.42Å; R401-S403 VanDerWaalsContact O-N 3.1Å
404	N	48.8	Very low	46.9	Very low	82 Å²	82	74.9 Å²	74.9	44%	0.439	36%	0.357	S	S	.	.			trans	-91.1	123.6	-175.8	-164.4	-21.7	0	0	0	112.3	K402 N406 N407	K402-N404 PolarHBondContact O-N 2.87Å; N404-N406 PolarHBondContact O-N 2.72Å; N404-N406 VanDerWaalsContact O-N 3.13Å; N404-N406 WeakPolarHBondContact OD1-CB 3.34Å; N404-N406 PolarHBondContact OD1-N 2.79Å; N404-N406 VanDerWaalsContact OD1-N 3.1Å; N404-N407 WeakPolarHBondContact O-CB 3.36Å; N404-N407 PolarHBondContact O-N 3.19Å; N404-N407 VanDerWaalsContact O-N 3.09Å
405	K	47.6	Very low	47.1	Very low	108 Å²	108	72.7 Å²	72.7	47%	0.47	35%	0.345	S	S	.	.	H	α-helix	trans	-47.8	-39.6	173.4	-64.6	-179.3	-179.1	171.7	0	112.2	N407 L408 T409 L500 Y505	K405-N407 VanDerWaalsContact C-N 3.32Å; K405-N407 PolarHBondContact O-N 2.91Å; K405-L408 PolarHBondContact O-N 3.07Å; K405-T409 PolarHBondContact O-N 3.43Å; K405-T409 VanDerWaalsContact O-N 3.14Å; K405-T409 PolarHBondContact O-OG1 3.27Å; K405-T409 VanDerWaalsContact O-OG1 3.13Å; K405-L500 HydrophobicContact CD-CD1 4.44Å; K405-L500 HydrophobicContact CG-CD1 3.92Å; K405-Y505 HydrophobicContact CB-CE1 4.2Å; K405-Y505 HydrophobicContact CD-CE1 4.2Å
406	N	49.6	Very low	47.2	Very low	89 Å²	89	67.5 Å²	67.5	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-65.3	-34.4	-175.7	-67.2	-12.3	0	0	0	112.8	N404 K410	N404-N406 PolarHBondContact O-N 2.72Å; N404-N406 VanDerWaalsContact O-N 3.13Å; N404-N406 WeakPolarHBondContact OD1-CB 3.34Å; N404-N406 PolarHBondContact OD1-N 2.79Å; N404-N406 VanDerWaalsContact OD1-N 3.1Å; N406-K410 WeakPolarHBondContact O-CB 3.38Å; N406-K410 VanDerWaalsContact O-CG 3.25Å; N406-K410 WeakPolarHBondContact O-CG 3.22Å; N406-K410 PolarHBondContact O-N 2.96Å; N406-K410 VanDerWaalsContact O-N 3.11Å
407	N	51.3	Low	47.7	Very low	45 Å²	45	72.1 Å²	72.1	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-70.9	-39.8	-179.8	-79.9	-15	0	0	0	111.6	L399 N404 K405 K410 L411	L399-N407 HydrophobicContact CB-CB 4.39Å; L399-N407 HydrophobicContact CD2-CB 3.7Å; L399-N407 HydrophobicContact CG-CB 4.47Å; N404-N407 WeakPolarHBondContact O-CB 3.36Å; N404-N407 PolarHBondContact O-N 3.19Å; N404-N407 VanDerWaalsContact O-N 3.09Å; K405-N407 VanDerWaalsContact C-N 3.32Å; K405-N407 PolarHBondContact O-N 2.91Å; N407-K410 PolarHBondContact O-N 2.75Å; N407-L411 PolarHBondContact O-N 3.29Å; N407-L411 VanDerWaalsContact O-N 3.16Å
408	L	46.7	Very low	48.2	Very low	24 Å²	24	77 Å²	77	13%	0.126	36%	0.363	C	S	.	.	H	α-helix	trans	-64.4	-49.3	176.6	-139.7	89.5	0	0	0	110.7	Y396 I400 K405 K410 L411 W412 L500	Y396-L408 HydrophobicContact CD2-CD1 4.18Å; Y396-L408 HydrophobicContact CE2-CD1 3.84Å; Y396-L408 HydrophobicContact CE2-CD2 4.19Å; Y396-L408 HydrophobicContact CE2-CG 4.02Å; I400-L408 HydrophobicContact CG1-CD1 3.75Å; K405-L408 PolarHBondContact O-N 3.07Å; L408-K410 VanDerWaalsContact C-N 3.32Å; L408-K410 PolarHBondContact O-N 2.61Å; L408-L411 PolarHBondContact O-N 3.08Å; L408-W412 VanDerWaalsContact O-CD1 3.24Å; L408-W412 PolarHBondContact O-N 2.95Å; L408-W412 VanDerWaalsContact O-N 3.09Å; L408-L500 HydrophobicContact CD2-CD2 3.81Å
409	T	48.1	Very low	48.2	Very low	41 Å²	41	75.7 Å²	75.7	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-56.1	-46.8	178.1	-53.4	0	0	0	0	111	K405 L411 W412 T413	K405-T409 PolarHBondContact O-N 3.43Å; K405-T409 VanDerWaalsContact O-N 3.14Å; K405-T409 PolarHBondContact O-OG1 3.27Å; K405-T409 VanDerWaalsContact O-OG1 3.13Å; T409-L411 PolarHBondContact O-N 3.19Å; T409-W412 PolarHBondContact O-N 3.31Å; T409-T413 PolarHBondContact O-N 2.93Å; T409-T413 PolarHBondContact O-OG1 3.28Å
410	K	55.1	Low	48.3	Very low	122 Å²	122	77.5 Å²	77.5	53%	0.53	36%	0.362	S	S	.	.	H	α-helix	trans	-58.1	-42.7	177.8	-77.4	174.5	-177.9	-179.8	0	113	N406 N407 L408 T413 R414	N406-K410 WeakPolarHBondContact O-CB 3.38Å; N406-K410 VanDerWaalsContact O-CG 3.25Å; N406-K410 WeakPolarHBondContact O-CG 3.22Å; N406-K410 PolarHBondContact O-N 2.96Å; N406-K410 VanDerWaalsContact O-N 3.11Å; N407-K410 PolarHBondContact O-N 2.75Å; L408-K410 VanDerWaalsContact C-N 3.32Å; L408-K410 PolarHBondContact O-N 2.61Å; K410-T413 PolarHBondContact O-N 3.34Å; K410-R414 WeakPolarHBondContact O-CG 3.26Å; K410-R414 PolarHBondContact O-N 3.47Å; K410-R414 VanDerWaalsContact O-N 3.14Å
411	L	49.8	Very low	48.3	Very low	13 Å²	13	79.9 Å²	79.9	7%	0.068	38%	0.38	C	S	.	.	H	α-helix	trans	-64.2	-47	177.4	-175.4	76.9	0	0	0	111.3	Q395 Y396 L399 N407 L408 T409 T413 R414 I415	Q395-L411 HydrophobicContact CB-CD1 3.81Å; Y396-L411 HydrophobicContact CD2-CD2 3.78Å; Y396-L411 HydrophobicContact CG-CD2 4.22Å; L399-L411 HydrophobicContact CD1-CB 3.89Å; L399-L411 HydrophobicContact CD1-CD1 4.14Å; L399-L411 HydrophobicContact CD1-CD2 4.19Å; L399-L411 HydrophobicContact CD1-CG 4.3Å; N407-L411 PolarHBondContact O-N 3.29Å; N407-L411 VanDerWaalsContact O-N 3.16Å; L408-L411 PolarHBondContact O-N 3.08Å; T409-L411 PolarHBondContact O-N 3.19Å; L411-T413 VanDerWaalsContact C-N 3.31Å; L411-T413 PolarHBondContact O-N 2.84Å; L411-R414 WeakPolarHBondContact O-CA 3.4Å; L411-R414 WeakPolarHBondContact O-CB 3.42Å; L411-R414 PolarHBondContact O-N 2.8Å; L411-I415 HydrophobicContact CD2-CD1 4.4Å; L411-I415 HydrophobicContact CG-CD1 4.17Å; L411-I415 PolarHBondContact O-N 3.38Å
412	W	50.1	Low	48.4	Very low	25 Å²	25	75.2 Å²	75.2	10%	0.095	37%	0.366	C	S	.	.	H	α-helix	trans	-63.7	-37.4	178.6	-79.3	105.7	0	0	0	112.4	Y396 L408 T409 R414 I415 L416 Y482 Y506	Y396-W412 HydrophobicContact CE2-CZ2 4.45Å; Y396-W412 AromaticContact CE2-NE1 3.67Å; L408-W412 VanDerWaalsContact O-CD1 3.24Å; L408-W412 PolarHBondContact O-N 2.95Å; L408-W412 VanDerWaalsContact O-N 3.09Å; T409-W412 PolarHBondContact O-N 3.31Å; W412-R414 PolarHBondContact O-N 3.14Å; W412-I415 HydrophobicContact CE3-CD1 4.43Å; W412-I415 PolarHBondContact O-N 2.76Å; W412-L416 WeakPolarHBondContact O-CB 3.27Å; W412-L416 VanDerWaalsContact O-CG 3.3Å; W412-L416 WeakPolarHBondContact O-CG 3.23Å; W412-L416 PolarHBondContact O-N 2.65Å; W412-Y482 HydrophobicContact CH2-CD1 4.35Å; W412-Y482 AromaticContact CH2-CD2 3.62Å; W412-Y482 HydrophobicContact CH2-CD2 3.62Å; W412-Y482 HydrophobicContact CH2-CE2 4.01Å; W412-Y482 AromaticContact CH2-CG 3.84Å; W412-Y482 HydrophobicContact CH2-CG 3.84Å; W412-Y482 AromaticContact CZ3-CD2 3.74Å; W412-Y482 HydrophobicContact CZ3-CD2 3.74Å; W412-Y482 AromaticContact CZ3-CE2 3.74Å; W412-Y482 HydrophobicContact CZ3-CE2 3.74Å; W412-Y482 HydrophobicContact CZ3-CG 4.4Å; W412-Y506 HydrophobicContact CB-CE2 4.09Å; W412-Y506 AromaticContact CD1-CE2 3.81Å; W412-Y506 HydrophobicContact CD2-CD2 4.28Å; W412-Y506 AromaticContact CD2-CE2 3.33Å; W412-Y506 HydrophobicContact CD2-CE2 3.33Å; W412-Y506 AromaticContact CE2-CE2 3.55Å; W412-Y506 AromaticContact CE3-CE2 3.69Å; W412-Y506 HydrophobicContact CE3-CE2 3.69Å; W412-Y506 AromaticContact CE3-CZ 3.92Å; W412-Y506 VanDerWaalsContact CE3-OH 3.27Å; W412-Y506 HydrophobicContact CG-CD2 4.12Å; W412-Y506 AromaticContact CG-CE2 3.51Å; W412-Y506 HydrophobicContact CG-CE2 3.51Å; W412-Y506 HydrophobicContact CH2-CE2 4.4Å; W412-Y506 HydrophobicContact CZ2-CE2 4.11Å; W412-Y506 HydrophobicContact CZ3-CE2 4.21Å; W412-Y506 WeakPolarHBondContact CZ3-OH 3.42Å; W412-Y506 AromaticContact NE1-CE2 3.84Å
413	T	50.7	Low	48.1	Very low	31 Å²	31	70.2 Å²	70.2	19%	0.19	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-37	172.1	-35.9	0	0	0	0	111.1	T409 K410 L411 K417 Y513	T409-T413 PolarHBondContact O-N 2.93Å; T409-T413 PolarHBondContact O-OG1 3.28Å; K410-T413 PolarHBondContact O-N 3.34Å; L411-T413 VanDerWaalsContact C-N 3.31Å; L411-T413 PolarHBondContact O-N 2.84Å; T413-K417 VanDerWaalsContact O-CB 3.29Å; T413-K417 WeakPolarHBondContact O-CB 3.46Å; T413-K417 VanDerWaalsContact O-CG 3.23Å; T413-K417 WeakPolarHBondContact O-CG 3.44Å; T413-K417 PolarHBondContact O-N 3.01Å; T413-Y513 HydrophobicContact CG2-CD1 4.19Å; T413-Y513 HydrophobicContact CG2-CD2 3.8Å; T413-Y513 HydrophobicContact CG2-CE1 3.91Å; T413-Y513 HydrophobicContact CG2-CE2 3.52Å; T413-Y513 HydrophobicContact CG2-CG 4.13Å
414	R	52.4	Low	47.9	Very low	161 Å²	161	72.8 Å²	72.8	61%	0.608	34%	0.344	S	S	*	.	H	α-helix	trans	-68.7	-44.6	175.9	-69.7	179.2	-171.7	127.4	-4.2	112.5	K410 L411 W412 K417 K418	K410-R414 WeakPolarHBondContact O-CG 3.26Å; K410-R414 PolarHBondContact O-N 3.47Å; K410-R414 VanDerWaalsContact O-N 3.14Å; L411-R414 WeakPolarHBondContact O-CA 3.4Å; L411-R414 WeakPolarHBondContact O-CB 3.42Å; L411-R414 PolarHBondContact O-N 2.8Å; W412-R414 PolarHBondContact O-N 3.14Å; R414-K417 PolarHBondContact O-N 3.17Å; R414-K418 PolarHBondContact O-N 2.87Å
415	I	49.3	Very low	47.4	Very low	29 Å²	29	72.8 Å²	72.8	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-48.5	176.6	-64.9	169.2	0	0	0	109.7	L411 W412 K417 K418 D419	L411-I415 HydrophobicContact CD2-CD1 4.4Å; L411-I415 HydrophobicContact CG-CD1 4.17Å; L411-I415 PolarHBondContact O-N 3.38Å; W412-I415 HydrophobicContact CE3-CD1 4.43Å; W412-I415 PolarHBondContact O-N 2.76Å; I415-K417 PolarHBondContact O-N 3.36Å; I415-K418 WeakPolarHBondContact O-CB 3.38Å; I415-K418 PolarHBondContact O-N 3.48Å; I415-K418 VanDerWaalsContact O-N 3.11Å; I415-D419 PolarHBondContact O-N 2.86Å; I415-D419 VanDerWaalsContact O-N 3.1Å
416	L	48.8	Very low	46.7	Very low	9 Å²	9	72.8 Å²	72.8	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-40.5	178	-71.5	167.7	0	0	0	112.1	W412 K418 D419 L420 F474 I510 F514	W412-L416 WeakPolarHBondContact O-CB 3.27Å; W412-L416 VanDerWaalsContact O-CG 3.3Å; W412-L416 WeakPolarHBondContact O-CG 3.23Å; W412-L416 PolarHBondContact O-N 2.65Å; L416-K418 VanDerWaalsContact C-N 3.26Å; L416-K418 PolarHBondContact O-N 3.34Å; L416-D419 CarbonylContact O-C 3.59Å; L416-D419 PolarHBondContact O-N 3.32Å; L416-L420 VanDerWaalsContact O-CB 3.28Å; L416-L420 WeakPolarHBondContact O-CB 3.27Å; L416-L420 PolarHBondContact O-N 2.8Å; L416-F474 HydrophobicContact CD2-CE1 4.18Å; L416-I510 HydrophobicContact CD1-CB 4.47Å; L416-I510 HydrophobicContact CD1-CD1 3.71Å; L416-I510 HydrophobicContact CD1-CG1 3.7Å; L416-I510 HydrophobicContact CD1-CG2 4.02Å; L416-F514 HydrophobicContact CD1-CE2 4.05Å; L416-F514 HydrophobicContact CD2-CE2 4.33Å; L416-F514 HydrophobicContact CD2-CZ 4.42Å
417	K	50.6	Low	46	Very low	119 Å²	119	72.9 Å²	72.9	52%	0.517	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-34.6	173.5	-83.7	179	177.3	-172.3	0	112.8	T413 R414 I415 P421 Y513	T413-K417 VanDerWaalsContact O-CB 3.29Å; T413-K417 WeakPolarHBondContact O-CB 3.46Å; T413-K417 VanDerWaalsContact O-CG 3.23Å; T413-K417 WeakPolarHBondContact O-CG 3.44Å; T413-K417 PolarHBondContact O-N 3.01Å; R414-K417 PolarHBondContact O-N 3.17Å; I415-K417 PolarHBondContact O-N 3.36Å; K417-P421 VanDerWaalsContact O-CD 3.31Å; K417-P421 WeakPolarHBondContact O-CD 3.5Å; K417-Y513 WeakPolarHBondContact CE-OH 3.36Å
418	K	51.5	Low	45.1	Very low	158 Å²	158	75.7 Å²	75.7	69%	0.687	37%	0.374	S	S	*	.	H	α-helix	trans	-72.5	-35.2	178.3	-167	179.5	179.4	-176.7	0	112	R414 I415 L416 P421	R414-K418 PolarHBondContact O-N 2.87Å; I415-K418 WeakPolarHBondContact O-CB 3.38Å; I415-K418 PolarHBondContact O-N 3.48Å; I415-K418 VanDerWaalsContact O-N 3.11Å; L416-K418 VanDerWaalsContact C-N 3.26Å; L416-K418 PolarHBondContact O-N 3.34Å; K418-P421 WeakPolarHBondContact O-CD 3.37Å
419	D	44	Very low	44.5	Very low	15 Å²	15	78.7 Å²	78.7	8%	0.08	40%	0.397	C	S	.	.	H	α-helix	trans	-87.9	-17.2	177	-78.6	-25.9	0	0	0	113.6	I415 L416 P421 K422 F474 K478	I415-D419 PolarHBondContact O-N 2.86Å; I415-D419 VanDerWaalsContact O-N 3.1Å; L416-D419 CarbonylContact O-C 3.59Å; L416-D419 PolarHBondContact O-N 3.32Å; D419-P421 VanDerWaalsContact C-CD 3.41Å; D419-K422 VanDerWaalsContact O-CB 3.26Å; D419-K422 WeakPolarHBondContact O-CB 2.99Å; D419-K422 PolarHBondContact O-N 2.78Å; D419-K422 IonicContact OD1-NZ 2.75Å; D419-K422 PolarHBondContact OD1-NZ 3.39Å; D419-F474 HydrophobicContact CB-CZ 4.05Å; D419-K478 WeakPolarHBondContact OD2-CE 3.33Å; D419-K478 IonicContact OD2-NZ 3.81Å; D419-K478 PolarHBondContact OD2-NZ 3.35Å
420	L	45.3	Very low	43.8	Very low	62 Å²	62	78.2 Å²	78.2	33%	0.325	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-55.2	-39	179.9	-169.1	63.8	0	0	0	114.3	L416 K422 L423 F514	L416-L420 VanDerWaalsContact O-CB 3.28Å; L416-L420 WeakPolarHBondContact O-CB 3.27Å; L416-L420 PolarHBondContact O-N 2.8Å; L420-K422 PolarHBondContact O-N 2.96Å; L420-L423 HydrophobicContact CD1-CD1 4.05Å; L420-L423 WeakPolarHBondContact O-CB 3.18Å; L420-L423 PolarHBondContact O-N 3.06Å; L420-L423 VanDerWaalsContact O-N 3.12Å; L420-F514 HydrophobicContact CD1-CE1 3.57Å; L420-F514 HydrophobicContact CD1-CZ 4.24Å
421	P	42.5	Very low	42.8	Very low	80 Å²	80	77.8 Å²	77.8	52%	0.519	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-60	-30.2	174.6	-23.4	34.2	0	0	0	112.9	K417 K418 D419 L423 K424	K417-P421 VanDerWaalsContact O-CD 3.31Å; K417-P421 WeakPolarHBondContact O-CD 3.5Å; K418-P421 WeakPolarHBondContact O-CD 3.37Å; D419-P421 VanDerWaalsContact C-CD 3.41Å; P421-L423 PolarHBondContact O-N 3.22Å; P421-K424 WeakPolarHBondContact O-CB 3.48Å; P421-K424 PolarHBondContact O-N 3.46Å; P421-K424 VanDerWaalsContact O-N 3.08Å
422	K	46	Very low	42.1	Very low	130 Å²	130	81.7 Å²	81.7	57%	0.565	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-69.5	-18.6	178.7	-57.1	176.2	-179.1	163.1	0	112.6	D419 L420 K424 S425	D419-K422 VanDerWaalsContact O-CB 3.26Å; D419-K422 WeakPolarHBondContact O-CB 2.99Å; D419-K422 PolarHBondContact O-N 2.78Å; D419-K422 IonicContact OD1-NZ 2.75Å; D419-K422 PolarHBondContact OD1-NZ 3.39Å; L420-K422 PolarHBondContact O-N 2.96Å; K422-K424 VanDerWaalsContact C-N 3.32Å; K422-S425 PolarHBondContact O-OG 3.1Å
423	L	38.3	Very low	41.3	Very low	31 Å²	31	81.5 Å²	81.5	16%	0.162	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-75	-20.1	171.7	-84.5	158.6	0	0	0	112.7	L420 P421 S425 F426 F474	L420-L423 HydrophobicContact CD1-CD1 4.05Å; L420-L423 WeakPolarHBondContact O-CB 3.18Å; L420-L423 PolarHBondContact O-N 3.06Å; L420-L423 VanDerWaalsContact O-N 3.12Å; P421-L423 PolarHBondContact O-N 3.22Å; L423-S425 PolarHBondContact O-N 3.43Å; L423-F426 HydrophobicContact CD2-CD2 4.5Å; L423-F426 PolarHBondContact O-N 3.41Å; L423-F474 HydrophobicContact CD1-CD1 3.89Å; L423-F474 HydrophobicContact CD1-CD2 4.24Å; L423-F474 HydrophobicContact CD1-CE1 4.05Å; L423-F474 HydrophobicContact CD1-CE2 4.39Å; L423-F474 HydrophobicContact CD1-CG 3.98Å; L423-F474 HydrophobicContact CD1-CZ 4.3Å; L423-F474 HydrophobicContact CD2-CB 4.06Å; L423-F474 HydrophobicContact CD2-CD2 3.99Å; L423-F474 HydrophobicContact CD2-CG 4.01Å; L423-F474 HydrophobicContact CG-CD2 4.07Å; L423-F474 HydrophobicContact CG-CE2 4.29Å; L423-F474 HydrophobicContact CG-CG 4.23Å
424	K	39.5	Very low	40.6	Very low	154 Å²	154	81.6 Å²	81.6	67%	0.67	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-61.7	-27.2	177.8	-73.2	-173.6	177.6	-179.1	0	112.2	P421 K422 F426 N427	P421-K424 WeakPolarHBondContact O-CB 3.48Å; P421-K424 PolarHBondContact O-N 3.46Å; P421-K424 VanDerWaalsContact O-N 3.08Å; K422-K424 VanDerWaalsContact C-N 3.32Å; K424-F426 VanDerWaalsContact C-N 3.25Å; K424-F426 PolarHBondContact O-N 3Å; K424-N427 PolarHBondContact O-N 3.29Å
425	S	38.3	Very low	39.9	Very low	83 Å²	83	77.4 Å²	77.4	58%	0.58	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-76.5	-6.8	176.6	63.3	0	0	0	0	113.9	K422 L423 N427 S428	K422-S425 PolarHBondContact O-OG 3.1Å; L423-S425 PolarHBondContact O-N 3.43Å; S425-N427 VanDerWaalsContact C-N 3.31Å; S425-S428 PolarHBondContact O-OG 3.41Å; S425-S428 VanDerWaalsContact O-OG 3.08Å
426	F	33.4	Very low	39.4	Very low	108 Å²	108	80.1 Å²	80.1	47%	0.474	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-80.9	-10.9	173.5	-94.1	-88.5	0	0	0	113.5	L423 K424 S428 S429	L423-F426 HydrophobicContact CD2-CD2 4.5Å; L423-F426 PolarHBondContact O-N 3.41Å; K424-F426 VanDerWaalsContact C-N 3.25Å; K424-F426 PolarHBondContact O-N 3Å; F426-S428 PolarHBondContact O-N 2.88Å; F426-S429 PolarHBondContact O-N 3.5Å; F426-S429 PolarHBondContact O-OG 3.35Å
427	N	35	Very low	38.9	Very low	90 Å²	90	82.2 Å²	82.2	48%	0.481	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-70	-7.6	176.7	-86	-0.1	0	0	0	114.2	K424 S425	K424-N427 PolarHBondContact O-N 3.29Å; S425-N427 VanDerWaalsContact C-N 3.31Å
428	S	31.5	Very low	38.2	Very low	105 Å²	105	79.4 Å²	79.4	73%	0.734	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-89.4	-17.5	178.8	45.7	0	0	0	0	114.2	S425 F426	S425-S428 PolarHBondContact O-OG 3.41Å; S425-S428 VanDerWaalsContact O-OG 3.08Å; F426-S428 PolarHBondContact O-N 2.88Å
429	S	34.1	Very low	37.4	Very low	87 Å²	87	75.6 Å²	75.6	61%	0.608	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-16.1	-176	43.9	0	0	0	0	114.9	F426 S431	F426-S429 PolarHBondContact O-N 3.5Å; F426-S429 PolarHBondContact O-OG 3.35Å; S429-S431 PolarHBondContact O-N 2.75Å
430	S	34.6	Very low	37.1	Very low	30 Å²	30	78.2 Å²	78.2	21%	0.21	47%	0.471	C	S	.	.			trans	-98.7	75.5	171.7	53	0	0	0	0	110.4	S432 C433	S430-S432 PolarHBondContact O-N 3.24Å; S430-C433 PolarHBondContact O-N 2.98Å
431	S	33.5	Very low	36.7	Very low	113 Å²	113	78.2 Å²	78.2	79%	0.79	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-6.2	-179.7	50.7	0	0	0	0	115.5	S429	S429-S431 PolarHBondContact O-N 2.75Å
432	S	34.5	Very low	36.1	Very low	95 Å²	95	78.7 Å²	78.7	66%	0.664	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-9.5	-177.4	55.7	0	0	0	0	116	S430	S430-S432 PolarHBondContact O-N 3.24Å
433	C	34.3	Very low	35.5	Very low	21 Å²	21	77 Å²	77	14%	0.142	47%	0.473	C	S	.	.			trans	-136	33.5	-170.9	-72.6	0	0	0	0	114.2	S430 Y459 W463	S430-C433 PolarHBondContact O-N 2.98Å; C433-Y459 PolarHBondContact O-OH 2.96Å; C433-W463 VanDerWaalsContact O-CD1 3.3Å
434	S	35.9	Very low	35.4	Very low	33 Å²	33	80.2 Å²	80.2	23%	0.231	50%	0.498	C	S	.	.			trans	-78.1	129	172.6	-74.6	0	0	0	0	110.4	S436 S437 F438 Y459	S434-S436 PolarHBondContact O-N 3.35Å; S434-S436 VanDerWaalsContact O-N 3.08Å; S434-S437 PolarHBondContact O-N 3.08Å; S434-S437 VanDerWaalsContact O-N 3.08Å; S434-S437 PolarHBondContact O-OG 2.96Å; S434-F438 PolarHBondContact O-N 2.82Å; S434-Y459 PolarHBondContact O-OH 3.44Å
435	P	36.8	Very low	35	Very low	74 Å²	74	76 Å²	76	48%	0.481	49%	0.489	S	S	.	.	H	α-helix	trans	-54.6	-30.7	175.6	-24.9	32.9	0	0	0	113.4	C439	P435-C439 PolarHBondContact O-N 2.95Å
436	S	39.1	Very low	34.6	Very low	86 Å²	86	76.4 Å²	76.4	60%	0.601	49%	0.491	S	S	*	.	H	α-helix	trans	-68.3	-40.5	177.6	48.5	0	0	0	0	113.1	S434 F438 C439 S440	S434-S436 PolarHBondContact O-N 3.35Å; S434-S436 VanDerWaalsContact O-N 3.08Å; S436-F438 VanDerWaalsContact C-N 3.3Å; S436-F438 PolarHBondContact O-N 3.03Å; S436-C439 PolarHBondContact O-N 3.33Å; S436-S440 PolarHBondContact O-N 2.96Å; S436-S440 PolarHBondContact O-OG 3.41Å; S436-S440 VanDerWaalsContact O-OG 3.05Å
437	S	37.8	Very low	34.5	Very low	52 Å²	52	77.4 Å²	77.4	36%	0.364	51%	0.512	S	S	.	.	H	α-helix	trans	-69.3	-31.4	-179.3	62.3	0	0	0	0	111.9	S434 S440 S441	S434-S437 PolarHBondContact O-N 3.08Å; S434-S437 VanDerWaalsContact O-N 3.08Å; S434-S437 PolarHBondContact O-OG 2.96Å; S437-S440 WeakPolarHBondContact CA-OG 3.42Å; S437-S440 PolarHBondContact O-OG 2.87Å; S437-S440 VanDerWaalsContact O-OG 3.13Å; S437-S441 PolarHBondContact O-N 3.45Å; S437-S441 VanDerWaalsContact O-N 3.1Å; S437-S441 PolarHBondContact O-OG 2.99Å; S437-S441 VanDerWaalsContact O-OG 3.06Å
438	F	35.8	Very low	34.4	Very low	60 Å²	60	77.2 Å²	77.2	26%	0.263	52%	0.517	S	S	.	.	H	α-helix	trans	-70.1	-42.4	172.7	-154.7	-101.6	0	0	0	111.4	S434 S436 S440 S441 F442 Y459	S434-F438 PolarHBondContact O-N 2.82Å; S436-F438 VanDerWaalsContact C-N 3.3Å; S436-F438 PolarHBondContact O-N 3.03Å; F438-S440 VanDerWaalsContact C-N 3.32Å; F438-S440 PolarHBondContact O-N 3.26Å; F438-S441 WeakPolarHBondContact CA-OG 3.27Å; F438-S441 PolarHBondContact O-N 2.96Å; F438-S441 PolarHBondContact O-OG 3.41Å; F438-F442 AromaticContact CD1-CD2 3.65Å; F438-F442 HydrophobicContact CD1-CD2 3.65Å; F438-F442 HydrophobicContact CD1-CE2 4.06Å; F438-F442 HydrophobicContact CD1-CG 4.37Å; F438-F442 AromaticContact CE1-CD2 3.2Å; F438-F442 HydrophobicContact CE1-CD2 3.2Å; F438-F442 AromaticContact CE1-CE2 3.13Å; F438-F442 HydrophobicContact CE1-CE2 3.13Å; F438-F442 HydrophobicContact CE1-CG 4.11Å; F438-F442 AromaticContact CE1-CZ 3.97Å; F438-F442 HydrophobicContact CE1-CZ 3.97Å; F438-F442 HydrophobicContact CE2-CD2 4.31Å; F438-F442 HydrophobicContact CE2-CE2 4.13Å; F438-F442 HydrophobicContact CG-CD2 4.39Å; F438-F442 AromaticContact CZ-CD2 3.6Å; F438-F442 HydrophobicContact CZ-CD2 3.6Å; F438-F442 AromaticContact CZ-CE2 3.19Å; F438-F442 HydrophobicContact CZ-CE2 3.19Å; F438-F442 HydrophobicContact CZ-CZ 4.16Å; F438-F442 WeakPolarHBondContact O-CB 3.05Å; F438-F442 PolarHBondContact O-N 3.36Å; F438-Y459 HydrophobicContact CB-CE2 4.17Å; F438-Y459 AromaticContact CD2-CD2 3.75Å; F438-Y459 HydrophobicContact CD2-CD2 3.75Å; F438-Y459 AromaticContact CD2-CE2 3.78Å; F438-Y459 HydrophobicContact CD2-CE2 3.78Å; F438-Y459 HydrophobicContact CD2-CG 4.36Å; F438-Y459 AromaticContact CE2-CD2 3.91Å; F438-Y459 HydrophobicContact CE2-CD2 3.91Å; F438-Y459 HydrophobicContact CE2-CE2 4.4Å; F438-Y459 HydrophobicContact CE2-CG 4.35Å; F438-Y459 HydrophobicContact CG-CD2 4.26Å; F438-Y459 HydrophobicContact CG-CE2 4.1Å
439	C	34.9	Very low	34.3	Very low	78 Å²	78	76.8 Å²	76.8	53%	0.527	51%	0.514	S	S	.	.	H	α-helix	trans	-60	-42.3	177.9	-148.5	0	0	0	0	111.6	P435 S436 F442 C443	P435-C439 PolarHBondContact O-N 2.95Å; S436-C439 PolarHBondContact O-N 3.33Å; C439-F442 PolarHBondContact O-N 3.28Å; C439-C443 WeakPolarHBondContact O-CB 3.44Å; C439-C443 PolarHBondContact O-N 3.44Å; C439-C443 PolarHBondContact O-SG 2.95Å; C439-C443 VanDerWaalsContact O-SG 3.39Å
440	S	37.3	Very low	34	Very low	70 Å²	70	80 Å²	80	49%	0.49	52%	0.517	S	S	.	.	H	α-helix	trans	-69.8	-37.7	176.8	43.6	0	0	0	0	113.1	S436 S437 F438 F442 S444	S436-S440 PolarHBondContact O-N 2.96Å; S436-S440 PolarHBondContact O-OG 3.41Å; S436-S440 VanDerWaalsContact O-OG 3.05Å; S437-S440 WeakPolarHBondContact CA-OG 3.42Å; S437-S440 PolarHBondContact O-OG 2.87Å; S437-S440 VanDerWaalsContact O-OG 3.13Å; F438-S440 VanDerWaalsContact C-N 3.32Å; F438-S440 PolarHBondContact O-N 3.26Å; S440-F442 VanDerWaalsContact C-N 3.3Å; S440-F442 PolarHBondContact O-N 3.1Å; S440-S444 PolarHBondContact O-N 2.89Å; S440-S444 PolarHBondContact O-OG 3.19Å
441	S	37.4	Very low	34	Very low	62 Å²	62	84.2 Å²	84.2	43%	0.434	55%	0.547	S	S	.	.	H	α-helix	trans	-68.2	-28.4	172.1	56.9	0	0	0	0	113.3	S437 F438 S445	S437-S441 PolarHBondContact O-N 3.45Å; S437-S441 VanDerWaalsContact O-N 3.1Å; S437-S441 PolarHBondContact O-OG 2.99Å; S437-S441 VanDerWaalsContact O-OG 3.06Å; F438-S441 WeakPolarHBondContact CA-OG 3.27Å; F438-S441 PolarHBondContact O-N 2.96Å; F438-S441 PolarHBondContact O-OG 3.41Å; S441-S445 PolarHBondContact O-OG 3.29Å
442	F	30.9	Very low	34.3	Very low	91 Å²	91	81.4 Å²	81.4	40%	0.399	53%	0.527	S	S	.	.	H	α-helix	trans	-82.2	-40.2	179.4	-111.3	-102.3	0	0	0	113.2	F438 C439 S440 S444 S445 F450	F438-F442 AromaticContact CD1-CD2 3.65Å; F438-F442 HydrophobicContact CD1-CD2 3.65Å; F438-F442 HydrophobicContact CD1-CE2 4.06Å; F438-F442 HydrophobicContact CD1-CG 4.37Å; F438-F442 AromaticContact CE1-CD2 3.2Å; F438-F442 HydrophobicContact CE1-CD2 3.2Å; F438-F442 AromaticContact CE1-CE2 3.13Å; F438-F442 HydrophobicContact CE1-CE2 3.13Å; F438-F442 HydrophobicContact CE1-CG 4.11Å; F438-F442 AromaticContact CE1-CZ 3.97Å; F438-F442 HydrophobicContact CE1-CZ 3.97Å; F438-F442 HydrophobicContact CE2-CD2 4.31Å; F438-F442 HydrophobicContact CE2-CE2 4.13Å; F438-F442 HydrophobicContact CG-CD2 4.39Å; F438-F442 AromaticContact CZ-CD2 3.6Å; F438-F442 HydrophobicContact CZ-CD2 3.6Å; F438-F442 AromaticContact CZ-CE2 3.19Å; F438-F442 HydrophobicContact CZ-CE2 3.19Å; F438-F442 HydrophobicContact CZ-CZ 4.16Å; F438-F442 WeakPolarHBondContact O-CB 3.05Å; F438-F442 PolarHBondContact O-N 3.36Å; C439-F442 PolarHBondContact O-N 3.28Å; S440-F442 VanDerWaalsContact C-N 3.3Å; S440-F442 PolarHBondContact O-N 3.1Å; F442-S444 PolarHBondContact O-N 2.88Å; F442-S445 PolarHBondContact O-N 3.43Å; F442-F450 HydrophobicContact CE1-CB 4.35Å
443	C	32.8	Very low	34.4	Very low	94 Å²	94	81.7 Å²	81.7	64%	0.635	53%	0.53	S	S	*	.	H	α-helix	trans	-67.8	-19.8	177	-71.2	0	0	0	0	112.9	C439 S445	C439-C443 WeakPolarHBondContact O-CB 3.44Å; C439-C443 PolarHBondContact O-N 3.44Å; C439-C443 PolarHBondContact O-SG 2.95Å; C439-C443 VanDerWaalsContact O-SG 3.39Å; C443-S445 VanDerWaalsContact C-N 3.32Å
444	S	36.2	Very low	34.7	Very low	98 Å²	98	83.8 Å²	83.8	69%	0.685	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.1	179	-53.3	0	0	0	0	113.4	S440 F442 S446	S440-S444 PolarHBondContact O-N 2.89Å; S440-S444 PolarHBondContact O-OG 3.19Å; F442-S444 PolarHBondContact O-N 2.88Å; S444-S446 PolarHBondContact O-N 3.21Å
445	S	30.4	Very low	35	Very low	67 Å²	67	84.7 Å²	84.7	47%	0.469	55%	0.551	S	S	.	*	S	Bend	trans	-93.6	91.3	179.9	-54.5	0	0	0	0	109.3	S441 F442 C443 S447	S441-S445 PolarHBondContact O-OG 3.29Å; F442-S445 PolarHBondContact O-N 3.43Å; C443-S445 VanDerWaalsContact C-N 3.32Å; S445-S447 PolarHBondContact O-N 2.86Å; S445-S447 VanDerWaalsContact O-N 3.16Å
446	S	30.5	Very low	35.2	Very low	90 Å²	90	85.4 Å²	85.4	63%	0.629	54%	0.544	S	S	*	.			trans	-31.9	110.5	167.4	42.3	0	0	0	0	114	S444 S448	S444-S446 PolarHBondContact O-N 3.21Å; S446-S448 PolarHBondContact O-N 3.37Å
447	S	31.7	Very low	35.5	Very low	130 Å²	130	87.5 Å²	87.5	91%	0.909	54%	0.54	S	S	*	.	S	Bend	trans	40.7	1.6	139	42.3	0	0	0	0	122.8	S445	S445-S447 PolarHBondContact O-N 2.86Å; S445-S447 VanDerWaalsContact O-N 3.16Å
448	S	32	Very low	35.9	Very low	86 Å²	86	89 Å²	89	60%	0.601	54%	0.544	S	S	*	.	S	Bend	trans	-140	124.1	176.1	51.4	0	0	0	0	110.1	S446	S446-S448 PolarHBondContact O-N 3.37Å
449	S	30.2	Very low	36.3	Very low	95 Å²	95	88 Å²	88	66%	0.664	54%	0.539	S	S	*	.			trans	74	64.4	162.7	63.2	0	0	0	0	120
450	F	28	Very low	36.7	Very low	154 Å²	154	86.5 Å²	86.5	68%	0.675	52%	0.522	S	S	*	.			trans	-140.1	57.2	151.6	-78.9	-71.1	0	0	0	113.4	F442 S452	F442-F450 HydrophobicContact CE1-CB 4.35Å; F450-S452 PolarHBondContact O-N 2.91Å
451	S	33.4	Very low	37.2	Very low	119 Å²	119	85.8 Å²	85.8	83%	0.832	51%	0.513	S	S	*	.			trans	-79.3	88.3	159.6	51.3	0	0	0	0	110.1
452	S	39.4	Very low	37.8	Very low	54 Å²	54	90 Å²	90	38%	0.378	52%	0.523	S	S	.	.			trans	-149.2	118.4	147.7	74.2	0	0	0	0	110.1	F450 S454 S455	F450-S452 PolarHBondContact O-N 2.91Å; S452-S454 PolarHBondContact O-N 3.09Å; S452-S455 PolarHBondContact O-N 3.25Å; S452-S455 VanDerWaalsContact O-N 3.15Å; S452-S455 PolarHBondContact OG-N 3.19Å; S452-S455 PolarHBondContact OG-OG 3.37Å; S452-S455 VanDerWaalsContact OG-OG 3.05Å
453	S	36.6	Very low	38.7	Very low	102 Å²	102	88.1 Å²	88.1	71%	0.713	51%	0.514	S	S	*	.	H	α-helix	trans	-51.7	-25.2	167.7	64.6	0	0	0	0	111.6	Y457	S453-Y457 WeakPolarHBondContact O-CB 3.24Å; S453-Y457 PolarHBondContact O-N 2.99Å
454	S	41	Very low	39.5	Very low	64 Å²	64	89 Å²	89	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-60.5	-43.4	176.5	-169.8	0	0	0	0	114.3	S452 Y456 Y457 N458	S452-S454 PolarHBondContact O-N 3.09Å; S454-Y456 PolarHBondContact O-N 3.4Å; S454-Y457 PolarHBondContact O-N 3.07Å; S454-N458 WeakPolarHBondContact O-CB 3.47Å; S454-N458 PolarHBondContact O-N 3.32Å; S454-N458 PolarHBondContact O-ND2 3.13Å
455	S	42	Very low	40.3	Very low	52 Å²	52	90.2 Å²	90.2	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-65.6	-40.8	-179.2	-67.1	0	0	0	0	112.3	S452 Y459	S452-S455 PolarHBondContact O-N 3.25Å; S452-S455 VanDerWaalsContact O-N 3.15Å; S452-S455 PolarHBondContact OG-N 3.19Å; S452-S455 PolarHBondContact OG-OG 3.37Å; S452-S455 VanDerWaalsContact OG-OG 3.05Å; S455-Y459 PolarHBondContact O-N 2.62Å; S455-Y459 VanDerWaalsContact O-N 3.16Å
456	Y	42.5	Very low	41.2	Very low	90 Å²	90	88.6 Å²	88.6	35%	0.353	49%	0.486	S	S	.	.	H	α-helix	trans	-67.4	-41.8	174.6	-179.3	-98.8	0	0	0	111.8	S454 N458 Y459 W460 F522	S454-Y456 PolarHBondContact O-N 3.4Å; Y456-N458 VanDerWaalsContact C-N 3.35Å; Y456-N458 PolarHBondContact O-N 3.32Å; Y456-Y459 PolarHBondContact O-N 3.23Å; Y456-W460 PolarHBondContact O-N 3.26Å; Y456-F522 HydrophobicContact CE1-CE2 4.36Å; Y456-F522 HydrophobicContact CE1-CZ 4.28Å; Y456-F522 WeakPolarHBondContact OH-CE2 3.37Å
457	Y	45.1	Very low	42	Very low	130 Å²	130	86.3 Å²	86.3	51%	0.51	47%	0.467	S	S	.	.	H	α-helix	trans	-59.8	-43.3	176.3	-174.9	-99.7	0	0	0	112.2	S453 S454 W460 N461	S453-Y457 WeakPolarHBondContact O-CB 3.24Å; S453-Y457 PolarHBondContact O-N 2.99Å; S454-Y457 PolarHBondContact O-N 3.07Å; Y457-W460 PolarHBondContact O-N 2.87Å; Y457-N461 VanDerWaalsContact CD1-ND2 3.35Å; Y457-N461 WeakPolarHBondContact CD1-ND2 3.26Å; Y457-N461 WeakPolarHBondContact CE1-ND2 3.39Å; Y457-N461 PolarHBondContact O-N 3.36Å; Y457-N461 PolarHBondContact O-ND2 3.14Å
458	N	45.8	Very low	43.1	Very low	84 Å²	84	83 Å²	83	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-65.8	-41.7	177.4	-79.4	-30.8	0	0	0	112.9	S454 Y456 W460 N461 K462	S454-N458 WeakPolarHBondContact O-CB 3.47Å; S454-N458 PolarHBondContact O-N 3.32Å; S454-N458 PolarHBondContact O-ND2 3.13Å; Y456-N458 VanDerWaalsContact C-N 3.35Å; Y456-N458 PolarHBondContact O-N 3.32Å; N458-W460 VanDerWaalsContact C-N 3.34Å; N458-N461 PolarHBondContact O-N 3.09Å; N458-K462 WeakPolarHBondContact O-CG 3.44Å; N458-K462 PolarHBondContact O-N 3.13Å
459	Y	44.9	Very low	44.2	Very low	39 Å²	39	83.2 Å²	83.2	15%	0.153	43%	0.433	C	S	.	.	H	α-helix	trans	-61.3	-43.1	173.2	179	-98	0	0	0	111.5	C433 S434 F438 S455 Y456 N461 K462 W463	C433-Y459 PolarHBondContact O-OH 2.96Å; S434-Y459 PolarHBondContact O-OH 3.44Å; F438-Y459 HydrophobicContact CB-CE2 4.17Å; F438-Y459 AromaticContact CD2-CD2 3.75Å; F438-Y459 HydrophobicContact CD2-CD2 3.75Å; F438-Y459 AromaticContact CD2-CE2 3.78Å; F438-Y459 HydrophobicContact CD2-CE2 3.78Å; F438-Y459 HydrophobicContact CD2-CG 4.36Å; F438-Y459 AromaticContact CE2-CD2 3.91Å; F438-Y459 HydrophobicContact CE2-CD2 3.91Å; F438-Y459 HydrophobicContact CE2-CE2 4.4Å; F438-Y459 HydrophobicContact CE2-CG 4.35Å; F438-Y459 HydrophobicContact CG-CD2 4.26Å; F438-Y459 HydrophobicContact CG-CE2 4.1Å; S455-Y459 PolarHBondContact O-N 2.62Å; S455-Y459 VanDerWaalsContact O-N 3.16Å; Y456-Y459 PolarHBondContact O-N 3.23Å; Y459-N461 PolarHBondContact O-N 3.25Å; Y459-K462 PolarHBondContact O-N 3.19Å; Y459-W463 PolarHBondContact O-N 3.48Å
460	W	42.8	Very low	45.1	Very low	46 Å²	46	81.4 Å²	81.4	17%	0.174	42%	0.415	C	S	.	.	H	α-helix	trans	-61.7	-44	177.3	-177.4	83	0	0	0	112.7	Y456 Y457 N458 K462 W463 R464 F522	Y456-W460 PolarHBondContact O-N 3.26Å; Y457-W460 PolarHBondContact O-N 2.87Å; N458-W460 VanDerWaalsContact C-N 3.34Å; W460-K462 VanDerWaalsContact C-N 3.3Å; W460-K462 PolarHBondContact O-N 3.2Å; W460-W463 PolarHBondContact O-N 3.41Å; W460-R464 VanDerWaalsContact CH2-CD 3.47Å; W460-R464 WeakPolarHBondContact O-CB 3.4Å; W460-R464 PolarHBondContact O-N 3.08Å; W460-F522 AromaticContact CD1-CD2 3.63Å; W460-F522 AromaticContact CD1-CE2 3.36Å; W460-F522 HydrophobicContact CG-CE2 4.34Å; W460-F522 AromaticContact NE1-CD2 3.3Å; W460-F522 VanDerWaalsContact NE1-CD2 3.3Å; W460-F522 AromaticContact NE1-CE2 3.37Å; W460-F522 AromaticContact NE1-CG 3.92Å
461	N	48.1	Very low	46.2	Very low	54 Å²	54	74.5 Å²	74.5	29%	0.289	39%	0.385	S	S	.	.	H	α-helix	trans	-60	-41.8	177.1	-77.1	-32	0	0	0	111.6	Y457 N458 Y459 H465	Y457-N461 VanDerWaalsContact CD1-ND2 3.35Å; Y457-N461 WeakPolarHBondContact CD1-ND2 3.26Å; Y457-N461 WeakPolarHBondContact CE1-ND2 3.39Å; Y457-N461 PolarHBondContact O-N 3.36Å; Y457-N461 PolarHBondContact O-ND2 3.14Å; N458-N461 PolarHBondContact O-N 3.09Å; Y459-N461 PolarHBondContact O-N 3.25Å; N461-H465 VanDerWaalsContact O-CB 3.24Å; N461-H465 WeakPolarHBondContact O-CB 3.35Å; N461-H465 PolarHBondContact O-N 3.31Å
462	K	50.4	Low	47.1	Very low	150 Å²	150	72.3 Å²	72.3	65%	0.652	37%	0.365	S	S	*	.	H	α-helix	trans	-65.3	-48.4	176.4	-70.5	179.7	-179.8	-178.8	0	112.2	N458 Y459 W460 H465 S466	N458-K462 WeakPolarHBondContact O-CG 3.44Å; N458-K462 PolarHBondContact O-N 3.13Å; Y459-K462 PolarHBondContact O-N 3.19Å; W460-K462 VanDerWaalsContact C-N 3.3Å; W460-K462 PolarHBondContact O-N 3.2Å; K462-H465 PolarHBondContact O-N 2.9Å; K462-S466 PolarHBondContact O-N 3.47Å
463	W	48.9	Very low	48	Very low	53 Å²	53	75.9 Å²	75.9	20%	0.201	38%	0.375	C	S	.	.	H	α-helix	trans	-61.6	-45.9	177.7	-179.5	79	0	0	0	111.9	C433 Y459 W460 H465 S466 L467 I518	C433-W463 VanDerWaalsContact O-CD1 3.3Å; Y459-W463 PolarHBondContact O-N 3.48Å; W460-W463 PolarHBondContact O-N 3.41Å; W463-H465 VanDerWaalsContact C-N 3.31Å; W463-H465 PolarHBondContact O-N 3.35Å; W463-S466 PolarHBondContact O-N 3.02Å; W463-L467 HydrophobicContact CD2-CD1 4.41Å; W463-L467 HydrophobicContact CH2-CD1 3.61Å; W463-L467 HydrophobicContact CZ2-CD1 3.27Å; W463-L467 HydrophobicContact CZ3-CD1 4.28Å; W463-L467 WeakPolarHBondContact O-CB 3.3Å; W463-L467 PolarHBondContact O-N 3.12Å; W463-I518 HydrophobicContact CZ3-CG2 4.49Å
464	R	49.9	Very low	48.7	Very low	113 Å²	113	72.4 Å²	72.4	43%	0.426	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-41.1	176.7	-174.7	-178.5	-173.3	-168	2.3	111.3	W460 N468	W460-R464 VanDerWaalsContact CH2-CD 3.47Å; W460-R464 WeakPolarHBondContact O-CB 3.4Å; W460-R464 PolarHBondContact O-N 3.08Å; R464-N468 VanDerWaalsContact O-CB 3.27Å; R464-N468 WeakPolarHBondContact O-CB 3.44Å; R464-N468 PolarHBondContact O-N 3.35Å
465	H	52.1	Low	49.1	Very low	123 Å²	123	69.5 Å²	69.5	57%	0.569	33%	0.327	S	S	*	.	H	α-helix	trans	-65.7	-47.4	178	-165.8	49.9	0	0	0	111.4	N461 K462 W463 L467 N468 I469	N461-H465 VanDerWaalsContact O-CB 3.24Å; N461-H465 WeakPolarHBondContact O-CB 3.35Å; N461-H465 PolarHBondContact O-N 3.31Å; K462-H465 PolarHBondContact O-N 2.9Å; W463-H465 VanDerWaalsContact C-N 3.31Å; W463-H465 PolarHBondContact O-N 3.35Å; H465-L467 PolarHBondContact O-N 3.27Å; H465-N468 PolarHBondContact O-N 3.11Å; H465-I469 WeakPolarHBondContact O-CG1 3.21Å; H465-I469 PolarHBondContact O-N 2.89Å
466	S	49.3	Very low	49.7	Very low	32 Å²	32	71.1 Å²	71.1	22%	0.224	33%	0.328	C	S	.	.	H	α-helix	trans	-56.1	-49.4	175.1	-169	0	0	0	0	111.7	K462 W463 N468 I469 D470	K462-S466 PolarHBondContact O-N 3.47Å; W463-S466 PolarHBondContact O-N 3.02Å; S466-N468 VanDerWaalsContact C-N 3.27Å; S466-N468 PolarHBondContact O-N 3.04Å; S466-I469 WeakPolarHBondContact O-CB 3.49Å; S466-I469 PolarHBondContact O-N 3.34Å; S466-I469 VanDerWaalsContact O-N 3.12Å; S466-D470 PolarHBondContact O-N 2.95Å
467	L	48.8	Very low	50.2	Low	43 Å²	43	70.2 Å²	70.2	23%	0.225	33%	0.332	C	S	.	.	H	α-helix	trans	-65.7	-31.9	-178.2	-155.4	144	0	0	0	112.2	W463 H465 L471 I518	W463-L467 HydrophobicContact CD2-CD1 4.41Å; W463-L467 HydrophobicContact CH2-CD1 3.61Å; W463-L467 HydrophobicContact CZ2-CD1 3.27Å; W463-L467 HydrophobicContact CZ3-CD1 4.28Å; W463-L467 WeakPolarHBondContact O-CB 3.3Å; W463-L467 PolarHBondContact O-N 3.12Å; H465-L467 PolarHBondContact O-N 3.27Å; L467-L471 WeakPolarHBondContact O-CB 3.34Å; L467-L471 PolarHBondContact O-N 2.77Å; L467-I518 HydrophobicContact CD2-CD1 3.43Å; L467-I518 VanDerWaalsContact CD2-CD1 3.43Å; L467-I518 HydrophobicContact CD2-CG1 3.8Å; L467-I518 HydrophobicContact CD2-CG2 4.49Å
468	N	53.7	Low	50.6	Low	60 Å²	60	65.5 Å²	65.5	32%	0.321	31%	0.314	S	S	.	.	H	α-helix	trans	-72.3	-36.3	174.9	-155.7	16	0	0	0	111.8	R464 H465 S466 N472	R464-N468 VanDerWaalsContact O-CB 3.27Å; R464-N468 WeakPolarHBondContact O-CB 3.44Å; R464-N468 PolarHBondContact O-N 3.35Å; H465-N468 PolarHBondContact O-N 3.11Å; S466-N468 VanDerWaalsContact C-N 3.27Å; S466-N468 PolarHBondContact O-N 3.04Å; N468-N472 WeakPolarHBondContact O-CB 3.47Å; N468-N472 PolarHBondContact O-N 3.01Å; N468-N472 PolarHBondContact O-ND2 3.32Å
469	I	54.3	Low	50.8	Low	91 Å²	91	64.9 Å²	64.9	47%	0.467	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-51.3	173.1	-68.1	165.7	0	0	0	110.3	H465 S466 L471 N472 H473	H465-I469 WeakPolarHBondContact O-CG1 3.21Å; H465-I469 PolarHBondContact O-N 2.89Å; S466-I469 WeakPolarHBondContact O-CB 3.49Å; S466-I469 PolarHBondContact O-N 3.34Å; S466-I469 VanDerWaalsContact O-N 3.12Å; I469-L471 VanDerWaalsContact C-N 3.29Å; I469-L471 PolarHBondContact O-N 3.14Å; I469-N472 PolarHBondContact O-N 2.96Å; I469-H473 WeakPolarHBondContact O-CB 3.49Å; I469-H473 PolarHBondContact O-N 3.34Å
470	D	50.5	Low	51.3	Low	56 Å²	56	66.7 Å²	66.7	30%	0.299	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-41.6	179.2	-67.4	-31.2	0	0	0	111.5	S466 H473 F474	S466-D470 PolarHBondContact O-N 2.95Å; D470-H473 PolarHBondContact O-N 3.12Å; D470-F474 WeakPolarHBondContact O-CB 3.46Å; D470-F474 PolarHBondContact O-N 2.95Å
471	L	50.3	Low	51.7	Low	9 Å²	9	69.8 Å²	69.8	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-49.6	175.2	179	67.2	0	0	0	111.5	L467 I469 H473 F474 I475 F514 I518	L467-L471 WeakPolarHBondContact O-CB 3.34Å; L467-L471 PolarHBondContact O-N 2.77Å; I469-L471 VanDerWaalsContact C-N 3.29Å; I469-L471 PolarHBondContact O-N 3.14Å; L471-H473 VanDerWaalsContact C-N 3.27Å; L471-H473 PolarHBondContact O-N 3.31Å; L471-F474 PolarHBondContact O-N 3.2Å; L471-I475 HydrophobicContact CD1-CD1 3.93Å; L471-I475 HydrophobicContact CD1-CG1 4.11Å; L471-I475 HydrophobicContact CD2-CD1 4.33Å; L471-I475 HydrophobicContact CG-CD1 3.72Å; L471-I475 HydrophobicContact CG-CG1 4.3Å; L471-I475 WeakPolarHBondContact O-CG1 3.2Å; L471-I475 PolarHBondContact O-N 3.43Å; L471-F514 HydrophobicContact CD1-CB 4.46Å; L471-F514 HydrophobicContact CD1-CD1 3.58Å; L471-F514 HydrophobicContact CD1-CD2 3.93Å; L471-F514 HydrophobicContact CD1-CE1 3.6Å; L471-F514 HydrophobicContact CD1-CE2 3.97Å; L471-F514 HydrophobicContact CD1-CG 3.74Å; L471-F514 HydrophobicContact CD1-CZ 3.82Å; L471-F514 HydrophobicContact CD2-CB 3.54Å; L471-F514 HydrophobicContact CD2-CD1 4.11Å; L471-F514 HydrophobicContact CD2-CD2 4.31Å; L471-F514 HydrophobicContact CD2-CG 3.76Å; L471-F514 HydrophobicContact CG-CG 4.37Å; L471-I518 HydrophobicContact CD2-CD1 4.24Å
472	N	53.2	Low	51.7	Low	74 Å²	74	69.1 Å²	69.1	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-60.1	-40.2	178.4	-76.2	-35.1	0	0	0	111.2	N468 I469 I475 Q476	N468-N472 WeakPolarHBondContact O-CB 3.47Å; N468-N472 PolarHBondContact O-N 3.01Å; N468-N472 PolarHBondContact O-ND2 3.32Å; I469-N472 PolarHBondContact O-N 2.96Å; N472-I475 PolarHBondContact O-N 2.93Å; N472-Q476 VanDerWaalsContact O-CB 3.27Å; N472-Q476 WeakPolarHBondContact O-CB 3.39Å; N472-Q476 PolarHBondContact O-N 2.76Å
473	H	57.4	Low	51.8	Low	128 Å²	128	66.3 Å²	66.3	59%	0.593	32%	0.317	S	S	*	.	H	α-helix	trans	-64	-44.2	175.7	-170.6	66.6	0	0	0	112.2	I469 D470 L471 Q476 T477	I469-H473 WeakPolarHBondContact O-CB 3.49Å; I469-H473 PolarHBondContact O-N 3.34Å; D470-H473 PolarHBondContact O-N 3.12Å; L471-H473 VanDerWaalsContact C-N 3.27Å; L471-H473 PolarHBondContact O-N 3.31Å; H473-Q476 PolarHBondContact O-N 3.47Å; H473-T477 WeakPolarHBondContact O-CB 3.13Å; H473-T477 PolarHBondContact O-N 2.89Å; H473-T477 PolarHBondContact O-OG1 3.11Å
474	F	51.7	Low	51.8	Low	30 Å²	30	69.7 Å²	69.7	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-46.7	175.1	174.8	-95.5	0	0	0	112	L416 D419 L423 D470 L471 Q476 T477 K478	L416-F474 HydrophobicContact CD2-CE1 4.18Å; D419-F474 HydrophobicContact CB-CZ 4.05Å; L423-F474 HydrophobicContact CD1-CD1 3.89Å; L423-F474 HydrophobicContact CD1-CD2 4.24Å; L423-F474 HydrophobicContact CD1-CE1 4.05Å; L423-F474 HydrophobicContact CD1-CE2 4.39Å; L423-F474 HydrophobicContact CD1-CG 3.98Å; L423-F474 HydrophobicContact CD1-CZ 4.3Å; L423-F474 HydrophobicContact CD2-CB 4.06Å; L423-F474 HydrophobicContact CD2-CD2 3.99Å; L423-F474 HydrophobicContact CD2-CG 4.01Å; L423-F474 HydrophobicContact CG-CD2 4.07Å; L423-F474 HydrophobicContact CG-CE2 4.29Å; L423-F474 HydrophobicContact CG-CG 4.23Å; D470-F474 WeakPolarHBondContact O-CB 3.46Å; D470-F474 PolarHBondContact O-N 2.95Å; L471-F474 PolarHBondContact O-N 3.2Å; F474-Q476 VanDerWaalsContact C-N 3.32Å; F474-Q476 PolarHBondContact O-N 3.02Å; F474-T477 PolarHBondContact O-N 2.98Å; F474-K478 HydrophobicContact CD1-CG 4.41Å; F474-K478 HydrophobicContact CE1-CG 3.95Å; F474-K478 HydrophobicContact CE2-CG 4.24Å; F474-K478 HydrophobicContact CZ-CD 4.32Å; F474-K478 HydrophobicContact CZ-CG 3.86Å; F474-K478 WeakPolarHBondContact O-CG 3.45Å; F474-K478 PolarHBondContact O-N 3.04Å
475	I	50.1	Low	51.5	Low	3 Å²	3	68.6 Å²	68.6	2%	0.015	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-39.5	179.4	-54.4	161.7	0	0	0	109.8	L471 N472 T477 K478 Y479 W507 I510 F514	L471-I475 HydrophobicContact CD1-CD1 3.93Å; L471-I475 HydrophobicContact CD1-CG1 4.11Å; L471-I475 HydrophobicContact CD2-CD1 4.33Å; L471-I475 HydrophobicContact CG-CD1 3.72Å; L471-I475 HydrophobicContact CG-CG1 4.3Å; L471-I475 WeakPolarHBondContact O-CG1 3.2Å; L471-I475 PolarHBondContact O-N 3.43Å; N472-I475 PolarHBondContact O-N 2.93Å; I475-T477 PolarHBondContact O-N 3.4Å; I475-K478 PolarHBondContact O-N 3.35Å; I475-Y479 WeakPolarHBondContact O-CB 3.39Å; I475-Y479 PolarHBondContact O-N 3.14Å; I475-W507 HydrophobicContact CB-CH2 4.04Å; I475-W507 HydrophobicContact CB-CZ3 3.67Å; I475-W507 HydrophobicContact CG2-CE3 3.71Å; I475-W507 HydrophobicContact CG2-CH2 3.4Å; I475-W507 HydrophobicContact CG2-CZ2 4.3Å; I475-W507 HydrophobicContact CG2-CZ3 3.03Å; I475-I510 HydrophobicContact CD1-CG2 3.86Å; I475-I510 HydrophobicContact CG1-CG2 4.31Å; I475-I510 HydrophobicContact CG2-CG2 4.4Å; I475-F514 HydrophobicContact CD1-CD2 4.45Å
476	Q	52.9	Low	51.2	Low	86 Å²	86	65.6 Å²	65.6	40%	0.402	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-41.3	175.5	-170.6	63	17.2	0	0	112.1	N472 H473 F474 Y479 N480	N472-Q476 VanDerWaalsContact O-CB 3.27Å; N472-Q476 WeakPolarHBondContact O-CB 3.39Å; N472-Q476 PolarHBondContact O-N 2.76Å; H473-Q476 PolarHBondContact O-N 3.47Å; F474-Q476 VanDerWaalsContact C-N 3.32Å; F474-Q476 PolarHBondContact O-N 3.02Å; Q476-Y479 WeakPolarHBondContact O-CB 3.31Å; Q476-Y479 PolarHBondContact O-N 3.45Å; Q476-N480 WeakPolarHBondContact O-CB 3.34Å; Q476-N480 VanDerWaalsContact O-CG 3.3Å; Q476-N480 PolarHBondContact O-N 3.19Å; Q476-N480 PolarHBondContact O-ND2 3.14Å
477	T	53.6	Low	51.1	Low	71 Å²	71	68.3 Å²	68.3	44%	0.436	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-45.4	176.2	-57.6	0	0	0	0	110.9	H473 F474 I475 N480 Q481	H473-T477 WeakPolarHBondContact O-CB 3.13Å; H473-T477 PolarHBondContact O-N 2.89Å; H473-T477 PolarHBondContact O-OG1 3.11Å; F474-T477 PolarHBondContact O-N 2.98Å; I475-T477 PolarHBondContact O-N 3.4Å; T477-N480 PolarHBondContact O-N 3.16Å; T477-Q481 WeakPolarHBondContact O-CB 3.43Å; T477-Q481 PolarHBondContact O-N 3.49Å
478	K	53.1	Low	50.8	Low	31 Å²	31	73.5 Å²	73.5	14%	0.135	35%	0.353	C	S	.	.	H	α-helix	trans	-64.3	-43.4	175.2	-71.6	-72.4	171.4	174.9	0	111.6	D419 F474 I475 N480 Q481 Y482	D419-K478 WeakPolarHBondContact OD2-CE 3.33Å; D419-K478 IonicContact OD2-NZ 3.81Å; D419-K478 PolarHBondContact OD2-NZ 3.35Å; F474-K478 HydrophobicContact CD1-CG 4.41Å; F474-K478 HydrophobicContact CE1-CG 3.95Å; F474-K478 HydrophobicContact CE2-CG 4.24Å; F474-K478 HydrophobicContact CZ-CD 4.32Å; F474-K478 HydrophobicContact CZ-CG 3.86Å; F474-K478 WeakPolarHBondContact O-CG 3.45Å; F474-K478 PolarHBondContact O-N 3.04Å; I475-K478 PolarHBondContact O-N 3.35Å; K478-N480 VanDerWaalsContact C-N 3.32Å; K478-N480 PolarHBondContact O-N 2.99Å; K478-Q481 WeakPolarHBondContact O-CB 3.36Å; K478-Q481 PolarHBondContact O-N 3.37Å; K478-Y482 HydrophobicContact CB-CD2 4.37Å; K478-Y482 HydrophobicContact CB-CE2 4.28Å; K478-Y482 HydrophobicContact CD-CE2 4.08Å; K478-Y482 WeakPolarHBondContact O-CD2 3.39Å; K478-Y482 PolarHBondContact O-N 3.26Å
479	Y	51.6	Low	50.4	Low	70 Å²	70	70.9 Å²	70.9	28%	0.275	34%	0.339	S	S	.	.	H	α-helix	trans	-56.4	-48	174.5	172.9	-96.4	0	0	0	111.3	I475 Q476 Q481 Y482 K483 W507	I475-Y479 WeakPolarHBondContact O-CB 3.39Å; I475-Y479 PolarHBondContact O-N 3.14Å; Q476-Y479 WeakPolarHBondContact O-CB 3.31Å; Q476-Y479 PolarHBondContact O-N 3.45Å; Y479-Q481 VanDerWaalsContact C-N 3.33Å; Y479-Q481 PolarHBondContact O-N 3.1Å; Y479-Y482 CarbonylContact O-C 3.53Å; Y479-Y482 PolarHBondContact O-N 3.03Å; Y479-K483 HydrophobicContact CE1-CD 4.07Å; Y479-K483 HydrophobicContact CE1-CG 4.41Å; Y479-K483 WeakPolarHBondContact O-CA 3.28Å; Y479-K483 VanDerWaalsContact O-CB 3.32Å; Y479-K483 WeakPolarHBondContact O-CB 3.29Å; Y479-K483 PolarHBondContact O-N 3.04Å; Y479-W507 VanDerWaalsContact CB-CZ2 3.44Å; Y479-W507 HydrophobicContact CD1-CZ2 4.33Å; Y479-W507 AromaticContact CD2-CE2 3.94Å; Y479-W507 AromaticContact CD2-CZ2 3.65Å; Y479-W507 HydrophobicContact CD2-CZ2 3.65Å; Y479-W507 AromaticContact CD2-NE1 3.68Å; Y479-W507 AromaticContact CE2-NE1 3.92Å; Y479-W507 HydrophobicContact CG-CH2 4.49Å; Y479-W507 AromaticContact CG-CZ2 3.55Å; Y479-W507 HydrophobicContact CG-CZ2 3.55Å
480	N	53.8	Low	49.9	Very low	78 Å²	78	70 Å²	70	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-41.3	177.4	-72.8	-20.7	0	0	0	111.9	Q476 T477 K478 Y482 K483	Q476-N480 WeakPolarHBondContact O-CB 3.34Å; Q476-N480 VanDerWaalsContact O-CG 3.3Å; Q476-N480 PolarHBondContact O-N 3.19Å; Q476-N480 PolarHBondContact O-ND2 3.14Å; T477-N480 PolarHBondContact O-N 3.16Å; K478-N480 VanDerWaalsContact C-N 3.32Å; K478-N480 PolarHBondContact O-N 2.99Å; N480-Y482 VanDerWaalsContact C-N 3.31Å; N480-Y482 PolarHBondContact O-N 3.28Å; N480-K483 WeakPolarHBondContact O-CB 3.23Å; N480-K483 PolarHBondContact O-N 3.13Å
481	Q	52.9	Low	49.5	Very low	111 Å²	111	71.9 Å²	71.9	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-41.9	175.3	-171.3	179.3	13	0	0	111.8	T477 K478 Y479	T477-Q481 WeakPolarHBondContact O-CB 3.43Å; T477-Q481 PolarHBondContact O-N 3.49Å; K478-Q481 WeakPolarHBondContact O-CB 3.36Å; K478-Q481 PolarHBondContact O-N 3.37Å; Y479-Q481 VanDerWaalsContact C-N 3.33Å; Y479-Q481 PolarHBondContact O-N 3.1Å
482	Y	48.2	Very low	49.3	Very low	40 Å²	40	74 Å²	74	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-84.6	-14.3	178.3	-65.4	-63.9	0	0	0	113.3	W412 K478 Y479 N480 N484 Q485 F486	W412-Y482 HydrophobicContact CH2-CD1 4.35Å; W412-Y482 AromaticContact CH2-CD2 3.62Å; W412-Y482 HydrophobicContact CH2-CD2 3.62Å; W412-Y482 HydrophobicContact CH2-CE2 4.01Å; W412-Y482 AromaticContact CH2-CG 3.84Å; W412-Y482 HydrophobicContact CH2-CG 3.84Å; W412-Y482 AromaticContact CZ3-CD2 3.74Å; W412-Y482 HydrophobicContact CZ3-CD2 3.74Å; W412-Y482 AromaticContact CZ3-CE2 3.74Å; W412-Y482 HydrophobicContact CZ3-CE2 3.74Å; W412-Y482 HydrophobicContact CZ3-CG 4.4Å; K478-Y482 HydrophobicContact CB-CD2 4.37Å; K478-Y482 HydrophobicContact CB-CE2 4.28Å; K478-Y482 HydrophobicContact CD-CE2 4.08Å; K478-Y482 WeakPolarHBondContact O-CD2 3.39Å; K478-Y482 PolarHBondContact O-N 3.26Å; Y479-Y482 CarbonylContact O-C 3.53Å; Y479-Y482 PolarHBondContact O-N 3.03Å; N480-Y482 VanDerWaalsContact C-N 3.31Å; N480-Y482 PolarHBondContact O-N 3.28Å; Y482-N484 VanDerWaalsContact C-N 3.31Å; Y482-N484 PolarHBondContact O-N 2.99Å; Y482-Q485 CarbonylContact O-C 3.34Å; Y482-Q485 WeakPolarHBondContact O-CA 3.25Å; Y482-Q485 WeakPolarHBondContact O-CB 3.33Å; Y482-Q485 PolarHBondContact O-N 2.91Å; Y482-F486 VanDerWaalsContact O-CB 3.32Å; Y482-F486 WeakPolarHBondContact O-CB 3.27Å; Y482-F486 PolarHBondContact O-N 3.34Å
483	K	52.4	Low	49	Very low	91 Å²	91	77.2 Å²	77.2	40%	0.396	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-41.2	-177.9	-172.8	180	-179.7	-176.9	0	111.8	Y479 N480 Q485 F486 N487	Y479-K483 HydrophobicContact CE1-CD 4.07Å; Y479-K483 HydrophobicContact CE1-CG 4.41Å; Y479-K483 WeakPolarHBondContact O-CA 3.28Å; Y479-K483 VanDerWaalsContact O-CB 3.32Å; Y479-K483 WeakPolarHBondContact O-CB 3.29Å; Y479-K483 PolarHBondContact O-N 3.04Å; N480-K483 WeakPolarHBondContact O-CB 3.23Å; N480-K483 PolarHBondContact O-N 3.13Å; K483-Q485 VanDerWaalsContact C-N 3.32Å; K483-Q485 PolarHBondContact O-N 3.42Å; K483-F486 CarbonylContact O-C 3.55Å; K483-F486 WeakPolarHBondContact O-CA 3.13Å; K483-F486 VanDerWaalsContact O-CB 3.3Å; K483-F486 WeakPolarHBondContact O-CB 3.31Å; K483-F486 PolarHBondContact O-N 3.35Å; K483-N487 PolarHBondContact O-N 3.4Å
484	N	47.3	Very low	48.5	Very low	124 Å²	124	73.9 Å²	73.9	66%	0.663	37%	0.37	S	S	*	.	H	α-helix	trans	-65.4	-37.6	175.8	-69.8	-14.2	0	0	0	111.6	Y482 F486	Y482-N484 VanDerWaalsContact C-N 3.31Å; Y482-N484 PolarHBondContact O-N 2.99Å; N484-F486 VanDerWaalsContact C-N 3.25Å; N484-F486 PolarHBondContact O-N 3.27Å
485	Q	45.3	Very low	48.6	Very low	90 Å²	90	80.9 Å²	80.9	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-69.4	-27.2	172.9	-54.9	-175.2	1	0	0	111.8	Y482 K483 Y488	Y482-Q485 CarbonylContact O-C 3.34Å; Y482-Q485 WeakPolarHBondContact O-CA 3.25Å; Y482-Q485 WeakPolarHBondContact O-CB 3.33Å; Y482-Q485 PolarHBondContact O-N 2.91Å; K483-Q485 VanDerWaalsContact C-N 3.32Å; K483-Q485 PolarHBondContact O-N 3.42Å; Q485-Y488 WeakPolarHBondContact O-CB 3.49Å; Q485-Y488 PolarHBondContact O-N 2.79Å
486	F	45.6	Very low	48.6	Very low	60 Å²	60	85.6 Å²	85.6	26%	0.263	43%	0.425	S	S	.	.	H	α-helix	trans	-81.1	-29.5	179.8	-161.2	-90.3	0	0	0	113.1	Y482 K483 N484 Y488 L489 S490 I501	Y482-F486 VanDerWaalsContact O-CB 3.32Å; Y482-F486 WeakPolarHBondContact O-CB 3.27Å; Y482-F486 PolarHBondContact O-N 3.34Å; K483-F486 CarbonylContact O-C 3.55Å; K483-F486 WeakPolarHBondContact O-CA 3.13Å; K483-F486 VanDerWaalsContact O-CB 3.3Å; K483-F486 WeakPolarHBondContact O-CB 3.31Å; K483-F486 PolarHBondContact O-N 3.35Å; N484-F486 VanDerWaalsContact C-N 3.25Å; N484-F486 PolarHBondContact O-N 3.27Å; F486-Y488 PolarHBondContact O-N 3.4Å; F486-L489 HydrophobicContact CD2-CD1 3.71Å; F486-L489 HydrophobicContact CE2-CD1 4.22Å; F486-L489 HydrophobicContact CG-CD1 4.17Å; F486-L489 WeakPolarHBondContact O-CA 3.47Å; F486-L489 VanDerWaalsContact O-CB 3.25Å; F486-L489 WeakPolarHBondContact O-CB 3.35Å; F486-L489 PolarHBondContact O-N 3.26Å; F486-S490 PolarHBondContact O-N 3.38Å; F486-I501 HydrophobicContact CD1-CD1 4.32Å; F486-I501 HydrophobicContact CE1-CB 4.11Å; F486-I501 HydrophobicContact CE1-CD1 3.53Å; F486-I501 HydrophobicContact CE1-CG1 3.65Å; F486-I501 HydrophobicContact CE1-CG2 3.45Å; F486-I501 VanDerWaalsContact CE1-CG2 3.45Å; F486-I501 HydrophobicContact CE2-CD1 4.45Å; F486-I501 HydrophobicContact CE2-CG1 4.14Å; F486-I501 HydrophobicContact CZ-CB 3.88Å; F486-I501 HydrophobicContact CZ-CD1 3.67Å; F486-I501 HydrophobicContact CZ-CG1 3.3Å; F486-I501 HydrophobicContact CZ-CG2 3.63Å
487	N	47.3	Very low	48.3	Very low	88 Å²	88	82.5 Å²	82.5	47%	0.471	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-30	169.2	-74.7	-13.6	0	0	0	111.1	K483 L489 S490	K483-N487 PolarHBondContact O-N 3.4Å; N487-L489 VanDerWaalsContact C-N 3.25Å; N487-L489 PolarHBondContact O-N 3.18Å; N487-S490 PolarHBondContact O-N 2.95Å; N487-S490 PolarHBondContact O-OG 2.91Å
488	Y	42	Very low	48.4	Very low	152 Å²	152	83.2 Å²	83.2	60%	0.596	41%	0.408	S	S	*	.	H	α-helix	trans	-68.4	-21.4	169.5	-172.3	-95	0	0	0	113.2	Q485 F486 T491	Q485-Y488 WeakPolarHBondContact O-CB 3.49Å; Q485-Y488 PolarHBondContact O-N 2.79Å; F486-Y488 PolarHBondContact O-N 3.4Å; Y488-T491 PolarHBondContact O-OG1 3.32Å
489	L	44.7	Very low	48.3	Very low	5 Å²	5	89.2 Å²	89.2	3%	0.026	43%	0.434	C	S	.	.	H	α-helix	trans	-79.6	-24.4	173	-60.9	171.5	0	0	0	112.4	Y396 F397 I400 F486 N487 T491 I492	Y396-L489 HydrophobicContact CE1-CD1 4.08Å; Y396-L489 HydrophobicContact CE1-CD2 4.35Å; Y396-L489 WeakPolarHBondContact OH-CD1 3.39Å; F397-L489 HydrophobicContact CE1-CD2 4.23Å; I400-L489 HydrophobicContact CD1-CD2 4.01Å; F486-L489 HydrophobicContact CD2-CD1 3.71Å; F486-L489 HydrophobicContact CE2-CD1 4.22Å; F486-L489 HydrophobicContact CG-CD1 4.17Å; F486-L489 WeakPolarHBondContact O-CA 3.47Å; F486-L489 VanDerWaalsContact O-CB 3.25Å; F486-L489 WeakPolarHBondContact O-CB 3.35Å; F486-L489 PolarHBondContact O-N 3.26Å; N487-L489 VanDerWaalsContact C-N 3.25Å; N487-L489 PolarHBondContact O-N 3.18Å; L489-T491 PolarHBondContact O-N 2.9Å; L489-I492 HydrophobicContact CD2-CD1 3.67Å; L489-I492 WeakPolarHBondContact O-CB 3.48Å; L489-I492 PolarHBondContact O-N 3.41Å; L489-I492 VanDerWaalsContact O-N 3.07Å
490	S	45.2	Very low	48.1	Very low	72 Å²	72	88.2 Å²	88.2	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-67.5	-26.6	177.2	80.3	0	0	0	0	111.9	F486 N487 I492	F486-S490 PolarHBondContact O-N 3.38Å; N487-S490 PolarHBondContact O-N 2.95Å; N487-S490 PolarHBondContact O-OG 2.91Å; S490-I492 VanDerWaalsContact C-N 3.31Å
491	T	41.4	Very low	47.9	Very low	97 Å²	97	87.1 Å²	87.1	60%	0.595	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.3	172.6	67.6	0	0	0	0	112.4	Y488 L489 N493	Y488-T491 PolarHBondContact O-OG1 3.32Å; L489-T491 PolarHBondContact O-N 2.9Å; T491-N493 PolarHBondContact O-N 3.2Å
492	I	45.9	Very low	47.8	Very low	53 Å²	53	90.7 Å²	90.7	27%	0.272	44%	0.441	S	S	.	.	S	Bend	trans	-74.4	111.2	175.2	-56.3	-179.5	0	0	0	108.4	F397 L489 S490 N494 I497	F397-I492 HydrophobicContact CE1-CD1 4.45Å; L489-I492 HydrophobicContact CD2-CD1 3.67Å; L489-I492 WeakPolarHBondContact O-CB 3.48Å; L489-I492 PolarHBondContact O-N 3.41Å; L489-I492 VanDerWaalsContact O-N 3.07Å; S490-I492 VanDerWaalsContact C-N 3.31Å; I492-N494 HydrophobicContact CG2-CB 4.07Å; I492-N494 PolarHBondContact O-N 3.47Å; I492-I497 HydrophobicContact CG2-CD1 4.03Å
493	N	46.3	Very low	48	Very low	141 Å²	141	91.5 Å²	91.5	75%	0.754	45%	0.452	S	S	*	.			trans	-75.8	54.8	-177.8	-158.2	17.9	0	0	0	113	T491 K498	T491-N493 PolarHBondContact O-N 3.2Å; N493-K498 PolarHBondContact OD1-NZ 2.88Å
494	N	48	Very low	47.9	Very low	59 Å²	59	91.6 Å²	91.6	32%	0.316	46%	0.457	S	S	.	.			trans	-111.2	114.6	177.6	-172.4	-32.9	0	0	0	110.4	I492 N496 I497 K498	I492-N494 HydrophobicContact CG2-CB 4.07Å; I492-N494 PolarHBondContact O-N 3.47Å; N494-N496 VanDerWaalsContact C-N 3.26Å; N494-N496 PolarHBondContact O-N 3.03Å; N494-N496 WeakPolarHBondContact OD1-CB 3.13Å; N494-N496 PolarHBondContact OD1-N 3.44Å; N494-I497 HydrophobicContact CB-CB 4.21Å; N494-I497 HydrophobicContact CB-CD1 3.75Å; N494-I497 HydrophobicContact CB-CG1 3.86Å; N494-I497 PolarHBondContact O-N 3.09Å; N494-K498 PolarHBondContact O-N 3.26Å; N494-K498 VanDerWaalsContact O-N 3.08Å
495	K	53.6	Low	48.1	Very low	176 Å²	176	89.6 Å²	89.6	77%	0.765	44%	0.441	S	S	*	.	H	α-helix	trans	-56.5	-36.2	179.7	-79.9	-177.8	176.9	176.3	0	113	K498 K499	K495-K498 PolarHBondContact O-N 3.45Å; K495-K499 PolarHBondContact O-N 3.06Å
496	N	49.2	Very low	48.2	Very low	103 Å²	103	87.6 Å²	87.6	55%	0.551	43%	0.43	S	S	*	.	H	α-helix	trans	-69.1	-39.6	-179.3	-70.1	-23.7	0	0	0	111.4	N494 K499 L500	N494-N496 VanDerWaalsContact C-N 3.26Å; N494-N496 PolarHBondContact O-N 3.03Å; N494-N496 WeakPolarHBondContact OD1-CB 3.13Å; N494-N496 PolarHBondContact OD1-N 3.44Å; N496-K499 PolarHBondContact O-N 3.05Å; N496-L500 PolarHBondContact O-N 3.13Å
497	I	48.3	Very low	48.5	Very low	20 Å²	20	87.3 Å²	87.3	10%	0.103	43%	0.427	C	S	.	.	H	α-helix	trans	-63.1	-51.9	174.5	-59.8	179.7	0	0	0	108.8	I400 I492 N494 K499 L500 I501	I400-I497 HydrophobicContact CG2-CD1 3.51Å; I400-I497 HydrophobicContact CG2-CG1 4.18Å; I492-I497 HydrophobicContact CG2-CD1 4.03Å; N494-I497 HydrophobicContact CB-CB 4.21Å; N494-I497 HydrophobicContact CB-CD1 3.75Å; N494-I497 HydrophobicContact CB-CG1 3.86Å; N494-I497 PolarHBondContact O-N 3.09Å; I497-K499 VanDerWaalsContact C-N 3.3Å; I497-K499 PolarHBondContact O-N 3.08Å; I497-L500 WeakPolarHBondContact O-CA 3.47Å; I497-L500 WeakPolarHBondContact O-CB 3.24Å; I497-L500 PolarHBondContact O-N 3.05Å; I497-I501 HydrophobicContact CG2-CD1 3.76Å; I497-I501 HydrophobicContact CG2-CG1 4.12Å; I497-I501 VanDerWaalsContact O-CG1 3.22Å; I497-I501 WeakPolarHBondContact O-CG1 3.12Å; I497-I501 PolarHBondContact O-N 3.19Å
498	K	53.9	Low	48.8	Very low	87 Å²	87	90 Å²	90	38%	0.378	44%	0.435	S	S	.	.	H	α-helix	trans	-54.8	-41.8	177.9	-70	177.8	177.9	174.5	0	113	N493 N494 K495 K502	N493-K498 PolarHBondContact OD1-NZ 2.88Å; N494-K498 PolarHBondContact O-N 3.26Å; N494-K498 VanDerWaalsContact O-N 3.08Å; K495-K498 PolarHBondContact O-N 3.45Å; K498-K502 WeakPolarHBondContact O-CG 3.28Å; K498-K502 PolarHBondContact O-N 3.45Å
499	K	51.6	Low	49.3	Very low	156 Å²	156	84.1 Å²	84.1	68%	0.678	42%	0.416	S	S	*	.	H	α-helix	trans	-63.4	-44.2	173.6	-83.5	-173.7	176.3	-177.8	0	112.2	K495 N496 I497 I501 K502 S503	K495-K499 PolarHBondContact O-N 3.06Å; N496-K499 PolarHBondContact O-N 3.05Å; I497-K499 VanDerWaalsContact C-N 3.3Å; I497-K499 PolarHBondContact O-N 3.08Å; K499-I501 PolarHBondContact O-N 3.2Å; K499-K502 PolarHBondContact O-N 3.3Å; K499-S503 WeakPolarHBondContact O-CB 2.99Å; K499-S503 PolarHBondContact O-N 3.35Å; K499-S503 PolarHBondContact O-OG 3.42Å
500	L	47.2	Very low	49.5	Very low	50 Å²	50	84.3 Å²	84.3	26%	0.262	42%	0.417	S	S	.	.	H	α-helix	trans	-60.1	-46.7	177.6	-131.6	85.5	0	0	0	111.6	K405 L408 N496 I497 S503	K405-L500 HydrophobicContact CD-CD1 4.44Å; K405-L500 HydrophobicContact CG-CD1 3.92Å; L408-L500 HydrophobicContact CD2-CD2 3.81Å; N496-L500 PolarHBondContact O-N 3.13Å; I497-L500 WeakPolarHBondContact O-CA 3.47Å; I497-L500 WeakPolarHBondContact O-CB 3.24Å; I497-L500 PolarHBondContact O-N 3.05Å; L500-S503 PolarHBondContact O-N 2.93Å; L500-S503 PolarHBondContact O-OG 3.08Å
501	I	51	Low	49.7	Very low	54 Å²	54	83.5 Å²	83.5	28%	0.277	41%	0.406	S	S	.	.	H	α-helix	trans	-56.2	-52.1	176.1	-63.4	-179.1	0	0	0	110.4	F486 I497 K499 S503	F486-I501 HydrophobicContact CD1-CD1 4.32Å; F486-I501 HydrophobicContact CE1-CB 4.11Å; F486-I501 HydrophobicContact CE1-CD1 3.53Å; F486-I501 HydrophobicContact CE1-CG1 3.65Å; F486-I501 HydrophobicContact CE1-CG2 3.45Å; F486-I501 VanDerWaalsContact CE1-CG2 3.45Å; F486-I501 HydrophobicContact CE2-CD1 4.45Å; F486-I501 HydrophobicContact CE2-CG1 4.14Å; F486-I501 HydrophobicContact CZ-CB 3.88Å; F486-I501 HydrophobicContact CZ-CD1 3.67Å; F486-I501 HydrophobicContact CZ-CG1 3.3Å; F486-I501 HydrophobicContact CZ-CG2 3.63Å; I497-I501 HydrophobicContact CG2-CD1 3.76Å; I497-I501 HydrophobicContact CG2-CG1 4.12Å; I497-I501 VanDerWaalsContact O-CG1 3.22Å; I497-I501 WeakPolarHBondContact O-CG1 3.12Å; I497-I501 PolarHBondContact O-N 3.19Å; K499-I501 PolarHBondContact O-N 3.2Å; I501-S503 VanDerWaalsContact C-N 3.33Å; I501-S503 PolarHBondContact O-N 2.99Å
502	K	50.4	Low	50.4	Low	186 Å²	186	81.8 Å²	81.8	81%	0.809	40%	0.398	S	S	*	.	H	α-helix	trans	-64.2	-35.7	-178.9	-76.3	-173.8	176.9	-169	0	113.4	K498 K499 N504	K498-K502 WeakPolarHBondContact O-CG 3.28Å; K498-K502 PolarHBondContact O-N 3.45Å; K499-K502 PolarHBondContact O-N 3.3Å; K502-N504 PolarHBondContact O-N 3.49Å; K502-N504 VanDerWaalsContact O-N 3.14Å
503	S	52.3	Low	50.7	Low	57 Å²	57	81.9 Å²	81.9	40%	0.399	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.5	-173.8	66.8	0	0	0	0	114.7	K499 L500 I501 Y505	K499-S503 WeakPolarHBondContact O-CB 2.99Å; K499-S503 PolarHBondContact O-N 3.35Å; K499-S503 PolarHBondContact O-OG 3.42Å; L500-S503 PolarHBondContact O-N 2.93Å; L500-S503 PolarHBondContact O-OG 3.08Å; I501-S503 VanDerWaalsContact C-N 3.33Å; I501-S503 PolarHBondContact O-N 2.99Å; S503-Y505 PolarHBondContact O-N 3.34Å; S503-Y505 WeakPolarHBondContact OG-CB 3.45Å; S503-Y505 PolarHBondContact OG-N 3.42Å
504	N	48.8	Very low	50.9	Low	94 Å²	94	75.5 Å²	75.5	50%	0.503	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	19.7	-170.4	-115.4	-1.7	0	0	0	113.2	K502 Y506 W507 K508	K502-N504 PolarHBondContact O-N 3.49Å; K502-N504 VanDerWaalsContact O-N 3.14Å; N504-Y506 VanDerWaalsContact C-N 3.26Å; N504-Y506 PolarHBondContact O-N 3.48Å; N504-W507 WeakPolarHBondContact O-CB 3.33Å; N504-W507 PolarHBondContact O-N 3.31Å; N504-K508 PolarHBondContact O-N 3.16Å
505	Y	52	Low	51	Low	82 Å²	82	78.5 Å²	78.5	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-37.6	-171.3	176.6	-96.2	0	0	0	111.7	K405 S503 W507 K508 S509	K405-Y505 HydrophobicContact CB-CE1 4.2Å; K405-Y505 HydrophobicContact CD-CE1 4.2Å; S503-Y505 PolarHBondContact O-N 3.34Å; S503-Y505 WeakPolarHBondContact OG-CB 3.45Å; S503-Y505 PolarHBondContact OG-N 3.42Å; Y505-W507 VanDerWaalsContact C-N 3.33Å; Y505-W507 PolarHBondContact O-N 3.37Å; Y505-K508 PolarHBondContact O-N 3.04Å; Y505-S509 PolarHBondContact O-N 3.41Å; Y505-S509 PolarHBondContact O-OG 3.26Å
506	Y	48.5	Very low	50.9	Low	48 Å²	48	74.5 Å²	74.5	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-51.4	-48.4	171	163.4	-99.7	0	0	0	113.1	W412 N504 S509 I510	W412-Y506 HydrophobicContact CB-CE2 4.09Å; W412-Y506 AromaticContact CD1-CE2 3.81Å; W412-Y506 HydrophobicContact CD2-CD2 4.28Å; W412-Y506 AromaticContact CD2-CE2 3.33Å; W412-Y506 HydrophobicContact CD2-CE2 3.33Å; W412-Y506 AromaticContact CE2-CE2 3.55Å; W412-Y506 AromaticContact CE3-CE2 3.69Å; W412-Y506 HydrophobicContact CE3-CE2 3.69Å; W412-Y506 AromaticContact CE3-CZ 3.92Å; W412-Y506 VanDerWaalsContact CE3-OH 3.27Å; W412-Y506 HydrophobicContact CG-CD2 4.12Å; W412-Y506 AromaticContact CG-CE2 3.51Å; W412-Y506 HydrophobicContact CG-CE2 3.51Å; W412-Y506 HydrophobicContact CH2-CE2 4.4Å; W412-Y506 HydrophobicContact CZ2-CE2 4.11Å; W412-Y506 HydrophobicContact CZ3-CE2 4.21Å; W412-Y506 WeakPolarHBondContact CZ3-OH 3.42Å; W412-Y506 AromaticContact NE1-CE2 3.84Å; N504-Y506 VanDerWaalsContact C-N 3.26Å; N504-Y506 PolarHBondContact O-N 3.48Å; Y506-S509 PolarHBondContact O-N 2.97Å; Y506-I510 HydrophobicContact CD1-CD1 4.19Å; Y506-I510 HydrophobicContact CD2-CD1 3.84Å; Y506-I510 HydrophobicContact CE1-CD1 3.58Å; Y506-I510 HydrophobicContact CE2-CD1 3.17Å; Y506-I510 HydrophobicContact CE2-CG1 4.19Å; Y506-I510 HydrophobicContact CG-CD1 4.32Å; Y506-I510 PolarHBondContact O-N 2.96Å; Y506-I510 WeakPolarHBondContact OH-CD1 3.43Å
507	W	52	Low	50.9	Low	54 Å²	54	71.9 Å²	71.9	21%	0.205	34%	0.344	C	S	.	.	H	α-helix	trans	-66.6	-39.3	-178.4	-81.9	101.5	0	0	0	111.7	I475 Y479 N504 Y505 N511	I475-W507 HydrophobicContact CB-CH2 4.04Å; I475-W507 HydrophobicContact CB-CZ3 3.67Å; I475-W507 HydrophobicContact CG2-CE3 3.71Å; I475-W507 HydrophobicContact CG2-CH2 3.4Å; I475-W507 HydrophobicContact CG2-CZ2 4.3Å; I475-W507 HydrophobicContact CG2-CZ3 3.03Å; Y479-W507 VanDerWaalsContact CB-CZ2 3.44Å; Y479-W507 HydrophobicContact CD1-CZ2 4.33Å; Y479-W507 AromaticContact CD2-CE2 3.94Å; Y479-W507 AromaticContact CD2-CZ2 3.65Å; Y479-W507 HydrophobicContact CD2-CZ2 3.65Å; Y479-W507 AromaticContact CD2-NE1 3.68Å; Y479-W507 AromaticContact CE2-NE1 3.92Å; Y479-W507 HydrophobicContact CG-CH2 4.49Å; Y479-W507 AromaticContact CG-CZ2 3.55Å; Y479-W507 HydrophobicContact CG-CZ2 3.55Å; N504-W507 WeakPolarHBondContact O-CB 3.33Å; N504-W507 PolarHBondContact O-N 3.31Å; Y505-W507 VanDerWaalsContact C-N 3.33Å; Y505-W507 PolarHBondContact O-N 3.37Å; W507-N511 WeakPolarHBondContact O-CB 3.29Å; W507-N511 PolarHBondContact O-N 3Å
508	K	53	Low	50.9	Low	145 Å²	145	73 Å²	73	63%	0.63	35%	0.349	S	S	*	.	H	α-helix	trans	-60.6	-48.2	174.2	-66.2	-173.5	176.5	-174.7	0	111.1	N504 Y505 I510 N511 S512	N504-K508 PolarHBondContact O-N 3.16Å; Y505-K508 PolarHBondContact O-N 3.04Å; K508-I510 PolarHBondContact O-N 2.89Å; K508-N511 PolarHBondContact O-N 2.86Å; K508-S512 PolarHBondContact O-N 2.9Å; K508-S512 PolarHBondContact O-OG 3.04Å
509	S	51.9	Low	50.5	Low	28 Å²	28	73.2 Å²	73.2	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-39.6	-179.1	-59.7	0	0	0	0	113.5	Y505 Y506 Y513	Y505-S509 PolarHBondContact O-N 3.41Å; Y505-S509 PolarHBondContact O-OG 3.26Å; Y506-S509 PolarHBondContact O-N 2.97Å; S509-Y513 PolarHBondContact O-N 3.47Å
510	I	48.8	Very low	50.4	Low	9 Å²	9	71.9 Å²	71.9	5%	0.046	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-48.2	176.2	-73.7	175.8	0	0	0	110.7	L416 I475 Y506 K508 S512 Y513 F514	L416-I510 HydrophobicContact CD1-CB 4.47Å; L416-I510 HydrophobicContact CD1-CD1 3.71Å; L416-I510 HydrophobicContact CD1-CG1 3.7Å; L416-I510 HydrophobicContact CD1-CG2 4.02Å; I475-I510 HydrophobicContact CD1-CG2 3.86Å; I475-I510 HydrophobicContact CG1-CG2 4.31Å; I475-I510 HydrophobicContact CG2-CG2 4.4Å; Y506-I510 HydrophobicContact CD1-CD1 4.19Å; Y506-I510 HydrophobicContact CD2-CD1 3.84Å; Y506-I510 HydrophobicContact CE1-CD1 3.58Å; Y506-I510 HydrophobicContact CE2-CD1 3.17Å; Y506-I510 HydrophobicContact CE2-CG1 4.19Å; Y506-I510 HydrophobicContact CG-CD1 4.32Å; Y506-I510 PolarHBondContact O-N 2.96Å; Y506-I510 WeakPolarHBondContact OH-CD1 3.43Å; K508-I510 PolarHBondContact O-N 2.89Å; I510-S512 VanDerWaalsContact C-N 3.27Å; I510-S512 PolarHBondContact O-N 3.11Å; I510-Y513 PolarHBondContact O-N 3.25Å; I510-Y513 VanDerWaalsContact O-N 3.14Å; I510-F514 HydrophobicContact CG2-CD2 3.6Å; I510-F514 HydrophobicContact CG2-CE2 3.68Å; I510-F514 VanDerWaalsContact O-CD2 3.31Å; I510-F514 WeakPolarHBondContact O-CD2 3.48Å; I510-F514 PolarHBondContact O-N 3.22Å
511	N	50.3	Low	50.3	Low	54 Å²	54	75.7 Å²	75.7	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-60.3	-40.8	-179.3	-159.4	12.4	0	0	0	110.9	W507 K508 F514 K515	W507-N511 WeakPolarHBondContact O-CB 3.29Å; W507-N511 PolarHBondContact O-N 3Å; K508-N511 PolarHBondContact O-N 2.86Å; N511-F514 PolarHBondContact O-N 2.93Å; N511-K515 WeakPolarHBondContact O-CB 3.24Å; N511-K515 WeakPolarHBondContact O-CG 3.43Å; N511-K515 PolarHBondContact O-N 3.47Å
512	S	56.2	Low	49.8	Very low	61 Å²	61	75 Å²	75	43%	0.427	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-45.2	173.5	-64.2	0	0	0	0	112.9	K508 I510 F514 K515 I516	K508-S512 PolarHBondContact O-N 2.9Å; K508-S512 PolarHBondContact O-OG 3.04Å; I510-S512 VanDerWaalsContact C-N 3.27Å; I510-S512 PolarHBondContact O-N 3.11Å; S512-F514 VanDerWaalsContact C-N 3.34Å; S512-F514 PolarHBondContact O-N 2.73Å; S512-K515 PolarHBondContact O-N 3.4Å; S512-I516 VanDerWaalsContact O-CG1 3.29Å; S512-I516 WeakPolarHBondContact O-CG1 3.45Å; S512-I516 PolarHBondContact O-N 3.39Å
513	Y	50.7	Low	49.6	Very low	55 Å²	55	70.8 Å²	70.8	22%	0.216	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-44.3	178.4	177.5	-103.5	0	0	0	112.3	T413 K417 S509 I510 I516 N517	T413-Y513 HydrophobicContact CG2-CD1 4.19Å; T413-Y513 HydrophobicContact CG2-CD2 3.8Å; T413-Y513 HydrophobicContact CG2-CE1 3.91Å; T413-Y513 HydrophobicContact CG2-CE2 3.52Å; T413-Y513 HydrophobicContact CG2-CG 4.13Å; K417-Y513 WeakPolarHBondContact CE-OH 3.36Å; S509-Y513 PolarHBondContact O-N 3.47Å; I510-Y513 PolarHBondContact O-N 3.25Å; I510-Y513 VanDerWaalsContact O-N 3.14Å; Y513-I516 PolarHBondContact O-N 3.06Å; Y513-N517 WeakPolarHBondContact CE1-ND2 3.35Å; Y513-N517 WeakPolarHBondContact CE2-ND2 3.49Å; Y513-N517 PolarHBondContact O-N 3.38Å; Y513-N517 VanDerWaalsContact O-N 3.09Å; Y513-N517 PolarHBondContact OH-ND2 2.84Å
514	F	50.4	Low	49.1	Very low	8 Å²	8	73.4 Å²	73.4	4%	0.035	35%	0.349	C	S	.	.	H	α-helix	trans	-69.6	-42.9	179.1	-83.1	-74.3	0	0	0	112.5	L416 L420 L471 I475 I510 N511 S512 I516 N517 I518	L416-F514 HydrophobicContact CD1-CE2 4.05Å; L416-F514 HydrophobicContact CD2-CE2 4.33Å; L416-F514 HydrophobicContact CD2-CZ 4.42Å; L420-F514 HydrophobicContact CD1-CE1 3.57Å; L420-F514 HydrophobicContact CD1-CZ 4.24Å; L471-F514 HydrophobicContact CD1-CB 4.46Å; L471-F514 HydrophobicContact CD1-CD1 3.58Å; L471-F514 HydrophobicContact CD1-CD2 3.93Å; L471-F514 HydrophobicContact CD1-CE1 3.6Å; L471-F514 HydrophobicContact CD1-CE2 3.97Å; L471-F514 HydrophobicContact CD1-CG 3.74Å; L471-F514 HydrophobicContact CD1-CZ 3.82Å; L471-F514 HydrophobicContact CD2-CB 3.54Å; L471-F514 HydrophobicContact CD2-CD1 4.11Å; L471-F514 HydrophobicContact CD2-CD2 4.31Å; L471-F514 HydrophobicContact CD2-CG 3.76Å; L471-F514 HydrophobicContact CG-CG 4.37Å; I475-F514 HydrophobicContact CD1-CD2 4.45Å; I510-F514 HydrophobicContact CG2-CD2 3.6Å; I510-F514 HydrophobicContact CG2-CE2 3.68Å; I510-F514 VanDerWaalsContact O-CD2 3.31Å; I510-F514 WeakPolarHBondContact O-CD2 3.48Å; I510-F514 PolarHBondContact O-N 3.22Å; N511-F514 PolarHBondContact O-N 2.93Å; S512-F514 VanDerWaalsContact C-N 3.34Å; S512-F514 PolarHBondContact O-N 2.73Å; F514-I516 VanDerWaalsContact C-N 3.26Å; F514-I516 PolarHBondContact O-N 3.25Å; F514-N517 PolarHBondContact O-N 3.1Å; F514-I518 WeakPolarHBondContact O-CB 3.26Å; F514-I518 VanDerWaalsContact O-CG1 3.28Å; F514-I518 WeakPolarHBondContact O-CG1 3.39Å; F514-I518 PolarHBondContact O-N 3.42Å
515	K	51.5	Low	48.6	Very low	122 Å²	122	73.7 Å²	73.7	53%	0.53	35%	0.351	S	S	.	.	H	α-helix	trans	-52.2	-47.2	172.6	-80.2	179.7	179.5	-176.3	0	111.1	N511 S512 H519	N511-K515 WeakPolarHBondContact O-CB 3.24Å; N511-K515 WeakPolarHBondContact O-CG 3.43Å; N511-K515 PolarHBondContact O-N 3.47Å; S512-K515 PolarHBondContact O-N 3.4Å; K515-H519 VanDerWaalsContact O-CB 3.24Å; K515-H519 WeakPolarHBondContact O-CB 3.44Å; K515-H519 PolarHBondContact O-N 3.35Å
516	I	52	Low	48.2	Very low	91 Å²	91	72.9 Å²	72.9	47%	0.467	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-45.6	179.8	-67.1	164.7	0	0	0	111.6	S512 Y513 F514 H519 K520	S512-I516 VanDerWaalsContact O-CG1 3.29Å; S512-I516 WeakPolarHBondContact O-CG1 3.45Å; S512-I516 PolarHBondContact O-N 3.39Å; Y513-I516 PolarHBondContact O-N 3.06Å; F514-I516 VanDerWaalsContact C-N 3.26Å; F514-I516 PolarHBondContact O-N 3.25Å; I516-H519 PolarHBondContact O-N 3.01Å; I516-K520 HydrophobicContact CG2-CD 4.38Å; I516-K520 WeakPolarHBondContact O-CG 3.01Å; I516-K520 PolarHBondContact O-N 3.3Å
517	N	47.8	Very low	48.1	Very low	49 Å²	49	77.2 Å²	77.2	26%	0.262	37%	0.371	S	S	.	.	H	α-helix	trans	-71.8	-38.3	-177.4	-84.7	-24.6	0	0	0	113.7	Y513 F514 H519 K520 K521	Y513-N517 WeakPolarHBondContact CE1-ND2 3.35Å; Y513-N517 WeakPolarHBondContact CE2-ND2 3.49Å; Y513-N517 PolarHBondContact O-N 3.38Å; Y513-N517 VanDerWaalsContact O-N 3.09Å; Y513-N517 PolarHBondContact OH-ND2 2.84Å; F514-N517 PolarHBondContact O-N 3.1Å; N517-H519 VanDerWaalsContact C-N 3.26Å; N517-H519 PolarHBondContact O-N 2.89Å; N517-K520 PolarHBondContact O-N 3.3Å; N517-K521 PolarHBondContact O-N 3.23Å
518	I	48.4	Very low	47.7	Very low	42 Å²	42	81.3 Å²	81.3	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-43.2	173.1	-66.9	163.6	0	0	0	109	W463 L467 L471 F514 K521 F522	W463-I518 HydrophobicContact CZ3-CG2 4.49Å; L467-I518 HydrophobicContact CD2-CD1 3.43Å; L467-I518 VanDerWaalsContact CD2-CD1 3.43Å; L467-I518 HydrophobicContact CD2-CG1 3.8Å; L467-I518 HydrophobicContact CD2-CG2 4.49Å; L471-I518 HydrophobicContact CD2-CD1 4.24Å; F514-I518 WeakPolarHBondContact O-CB 3.26Å; F514-I518 VanDerWaalsContact O-CG1 3.28Å; F514-I518 WeakPolarHBondContact O-CG1 3.39Å; F514-I518 PolarHBondContact O-N 3.42Å; I518-K521 PolarHBondContact O-N 3.11Å; I518-F522 PolarHBondContact O-N 3.28Å
519	H	45.8	Very low	47.2	Very low	92 Å²	92	78.2 Å²	78.2	43%	0.426	38%	0.38	S	S	.	.	H	α-helix	trans	-63	-43.5	177.1	-158.3	96.3	0	0	0	112.5	K515 I516 N517 K521 F522 M523	K515-H519 VanDerWaalsContact O-CB 3.24Å; K515-H519 WeakPolarHBondContact O-CB 3.44Å; K515-H519 PolarHBondContact O-N 3.35Å; I516-H519 PolarHBondContact O-N 3.01Å; N517-H519 VanDerWaalsContact C-N 3.26Å; N517-H519 PolarHBondContact O-N 2.89Å; H519-K521 VanDerWaalsContact C-N 3.35Å; H519-K521 PolarHBondContact O-N 2.91Å; H519-F522 WeakPolarHBondContact O-CB 3.45Å; H519-F522 PolarHBondContact O-N 2.76Å; H519-M523 WeakPolarHBondContact NE2-CE 3.41Å; H519-M523 WeakPolarHBondContact O-CG 3.42Å; H519-M523 PolarHBondContact O-N 3.45Å
520	K	49	Very low	46.9	Very low	128 Å²	128	81 Å²	81	56%	0.557	39%	0.39	S	S	*	.	H	α-helix	trans	-61	-41.6	174.5	-77.3	-177.9	178	-173.9	0	112.6	I516 N517 F522 M523 N524	I516-K520 HydrophobicContact CG2-CD 4.38Å; I516-K520 WeakPolarHBondContact O-CG 3.01Å; I516-K520 PolarHBondContact O-N 3.3Å; N517-K520 PolarHBondContact O-N 3.3Å; K520-F522 VanDerWaalsContact C-N 3.29Å; K520-F522 PolarHBondContact O-N 3.27Å; K520-M523 PolarHBondContact O-N 3.05Å; K520-N524 PolarHBondContact O-N 2.93Å; K520-N524 VanDerWaalsContact O-N 3.11Å
521	K	46.4	Very low	46.9	Very low	130 Å²	130	87.4 Å²	87.4	57%	0.565	42%	0.418	S	S	*	.	H	α-helix	trans	-65.7	-35.5	178.9	-153.5	175.9	-176.8	-172.3	0	111.5	N517 I518 H519 N525	N517-K521 PolarHBondContact O-N 3.23Å; I518-K521 PolarHBondContact O-N 3.11Å; H519-K521 VanDerWaalsContact C-N 3.35Å; H519-K521 PolarHBondContact O-N 2.91Å; K521-N525 PolarHBondContact O-N 3.3Å
522	F	40.4	Very low	46.4	Very low	40 Å²	40	90.9 Å²	90.9	18%	0.175	43%	0.428	C	S	.	.	H	α-helix	trans	-65.8	-48.9	170.5	178.4	-95.5	0	0	0	112.2	Y456 W460 I518 H519 K520 N524 N525 H526	Y456-F522 HydrophobicContact CE1-CE2 4.36Å; Y456-F522 HydrophobicContact CE1-CZ 4.28Å; Y456-F522 WeakPolarHBondContact OH-CE2 3.37Å; W460-F522 AromaticContact CD1-CD2 3.63Å; W460-F522 AromaticContact CD1-CE2 3.36Å; W460-F522 HydrophobicContact CG-CE2 4.34Å; W460-F522 AromaticContact NE1-CD2 3.3Å; W460-F522 VanDerWaalsContact NE1-CD2 3.3Å; W460-F522 AromaticContact NE1-CE2 3.37Å; W460-F522 AromaticContact NE1-CG 3.92Å; I518-F522 PolarHBondContact O-N 3.28Å; H519-F522 WeakPolarHBondContact O-CB 3.45Å; H519-F522 PolarHBondContact O-N 2.76Å; K520-F522 VanDerWaalsContact C-N 3.29Å; K520-F522 PolarHBondContact O-N 3.27Å; F522-N524 PolarHBondContact O-N 3.45Å; F522-N525 CarbonylContact O-C 3.43Å; F522-N525 PolarHBondContact O-N 3.47Å; F522-H526 HydrophobicContact CD1-CB 4.3Å; F522-H526 HydrophobicContact CE1-CB 3.93Å; F522-H526 HydrophobicContact CZ-CB 4.2Å; F522-H526 AromaticContact CZ-CD2 3.91Å; F522-H526 WeakPolarHBondContact O-CB 3.36Å; F522-H526 PolarHBondContact O-N 3.03Å
523	M	44.6	Very low	45.7	Very low	97 Å²	97	91.7 Å²	91.7	48%	0.478	43%	0.427	S	S	.	.	H	α-helix	trans	-55.4	-40.7	-179.6	-75.6	-66	-166.4	0	0	111.8	H519 K520 H527	H519-M523 WeakPolarHBondContact NE2-CE 3.41Å; H519-M523 WeakPolarHBondContact O-CG 3.42Å; H519-M523 PolarHBondContact O-N 3.45Å; K520-M523 PolarHBondContact O-N 3.05Å; M523-H527 WeakPolarHBondContact O-CB 3.47Å; M523-H527 PolarHBondContact O-N 3.4Å
524	N	41.7	Very low	45.5	Very low	113 Å²	113	93.7 Å²	93.7	60%	0.604	44%	0.441	S	S	*	.	H	α-helix	trans	-65.7	-41.5	175.8	-71.9	1.6	0	0	0	112.9	K520 F522 H527 H528	K520-N524 PolarHBondContact O-N 2.93Å; K520-N524 VanDerWaalsContact O-N 3.11Å; F522-N524 PolarHBondContact O-N 3.45Å; N524-H527 PolarHBondContact O-N 3.02Å; N524-H528 PolarHBondContact O-N 3.08Å; N524-H528 VanDerWaalsContact O-N 3.16Å
525	N	39.7	Very low	45.1	Very low	99 Å²	99	98.2 Å²	98.2	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-70.3	-40.1	177.4	-75.9	-2.9	0	0	0	112.2	K521 F522 H527 H528 H529	K521-N525 PolarHBondContact O-N 3.3Å; F522-N525 CarbonylContact O-C 3.43Å; F522-N525 PolarHBondContact O-N 3.47Å; N525-H527 VanDerWaalsContact C-N 3.31Å; N525-H527 PolarHBondContact O-N 3.15Å; N525-H528 WeakPolarHBondContact O-CB 3.5Å; N525-H528 PolarHBondContact O-N 3.02Å; N525-H529 PolarHBondContact O-N 2.92Å
526	H	43.4	Very low	44.6	Very low	65 Å²	65	95.5 Å²	95.5	30%	0.301	46%	0.456	S	S	.	.	H	α-helix	trans	-63.1	-39.4	175.5	-174.3	-87	0	0	0	110.8	F522 H528 H529 Q530	F522-H526 HydrophobicContact CD1-CB 4.3Å; F522-H526 HydrophobicContact CE1-CB 3.93Å; F522-H526 HydrophobicContact CZ-CB 4.2Å; F522-H526 AromaticContact CZ-CD2 3.91Å; F522-H526 WeakPolarHBondContact O-CB 3.36Å; F522-H526 PolarHBondContact O-N 3.03Å; H526-H528 VanDerWaalsContact C-N 3.33Å; H526-H528 PolarHBondContact O-N 3.33Å; H526-H529 PolarHBondContact O-N 3.02Å; H526-Q530 WeakPolarHBondContact O-CB 3.46Å; H526-Q530 PolarHBondContact O-N 3.37Å
527	H	46.5	Very low	44.3	Very low	139 Å²	139	96.9 Å²	96.9	64%	0.644	46%	0.461	S	S	*	.	H	α-helix	trans	-63.8	-39.2	175.2	-139.9	-35.5	0	0	0	112.1	M523 N524 N525 K531	M523-H527 WeakPolarHBondContact O-CB 3.47Å; M523-H527 PolarHBondContact O-N 3.4Å; N524-H527 PolarHBondContact O-N 3.02Å; N525-H527 VanDerWaalsContact C-N 3.31Å; N525-H527 PolarHBondContact O-N 3.15Å; H527-K531 WeakPolarHBondContact O-CB 3.49Å; H527-K531 PolarHBondContact O-N 3.12Å
528	H	43.4	Very low	44.2	Very low	141 Å²	141	97.3 Å²	97.3	65%	0.653	47%	0.468	S	S	*	.	H	α-helix	trans	-64.2	-41	173.1	-107.8	-69.9	0	0	0	112.3	N524 N525 H526 K531 Y532	N524-H528 PolarHBondContact O-N 3.08Å; N524-H528 VanDerWaalsContact O-N 3.16Å; N525-H528 WeakPolarHBondContact O-CB 3.5Å; N525-H528 PolarHBondContact O-N 3.02Å; H526-H528 VanDerWaalsContact C-N 3.33Å; H526-H528 PolarHBondContact O-N 3.33Å; H528-K531 PolarHBondContact O-N 2.98Å; H528-Y532 PolarHBondContact O-N 2.96Å
529	H	42.5	Very low	44.1	Very low	79 Å²	79	99.7 Å²	99.7	37%	0.366	48%	0.48	S	S	.	.	H	α-helix	trans	-71	-41.9	178.5	-170.3	57	0	0	0	112.5	N525 H526 K531 Y532 L533	N525-H529 PolarHBondContact O-N 2.92Å; H526-H529 PolarHBondContact O-N 3.02Å; H529-K531 VanDerWaalsContact C-N 3.28Å; H529-K531 PolarHBondContact O-N 3.31Å; H529-Y532 CarbonylContact O-C 3.6Å; H529-Y532 WeakPolarHBondContact O-CB 3.34Å; H529-Y532 PolarHBondContact O-N 3.44Å; H529-Y532 VanDerWaalsContact O-N 3.12Å; H529-L533 WeakPolarHBondContact O-CG 3.27Å; H529-L533 PolarHBondContact O-N 3.05Å
530	Q	45.6	Very low	43.9	Very low	87 Å²	87	99.5 Å²	99.5	41%	0.407	48%	0.482	S	S	.	.	H	α-helix	trans	-56	-44.5	169.5	-87.1	-95.2	-22.2	0	0	111.1	H526 Y532 L533 N534	H526-Q530 WeakPolarHBondContact O-CB 3.46Å; H526-Q530 PolarHBondContact O-N 3.37Å; Q530-Y532 VanDerWaalsContact C-N 3.3Å; Q530-Y532 PolarHBondContact O-N 3.41Å; Q530-L533 PolarHBondContact O-N 3.34Å; Q530-N534 WeakPolarHBondContact O-CB 3.36Å; Q530-N534 PolarHBondContact O-N 3.28Å; Q530-N534 PolarHBondContact O-ND2 3.43Å; Q530-N534 PolarHBondContact O-OD1 3.46Å
531	K	48.6	Very low	44.1	Very low	144 Å²	144	97.2 Å²	97.2	63%	0.626	48%	0.476	S	S	*	.	H	α-helix	trans	-63.1	-37.7	176.5	-158.8	176	-173.7	-179.5	0	112	H527 H528 H529 N535	H527-K531 WeakPolarHBondContact O-CB 3.49Å; H527-K531 PolarHBondContact O-N 3.12Å; H528-K531 PolarHBondContact O-N 2.98Å; H529-K531 VanDerWaalsContact C-N 3.28Å; H529-K531 PolarHBondContact O-N 3.31Å; K531-N535 WeakPolarHBondContact O-CB 3.41Å; K531-N535 PolarHBondContact O-N 3.19Å
532	Y	39.5	Very low	44.3	Very low	127 Å²	127	95.8 Å²	95.8	50%	0.498	48%	0.475	S	S	.	.	H	α-helix	trans	-66.7	-46	174.5	178.2	-99.6	0	0	0	112.4	H528 H529 Q530 N534 N535 I536	H528-Y532 PolarHBondContact O-N 2.96Å; H529-Y532 CarbonylContact O-C 3.6Å; H529-Y532 WeakPolarHBondContact O-CB 3.34Å; H529-Y532 PolarHBondContact O-N 3.44Å; H529-Y532 VanDerWaalsContact O-N 3.12Å; Q530-Y532 VanDerWaalsContact C-N 3.3Å; Q530-Y532 PolarHBondContact O-N 3.41Å; Y532-N534 VanDerWaalsContact C-N 3.34Å; Y532-N534 PolarHBondContact O-N 2.9Å; Y532-N535 WeakPolarHBondContact O-CB 3.45Å; Y532-N535 PolarHBondContact O-N 3.03Å; Y532-N535 VanDerWaalsContact O-N 3.17Å; Y532-I536 HydrophobicContact CD1-CD1 3.96Å; Y532-I536 HydrophobicContact CE1-CD1 3.28Å; Y532-I536 HydrophobicContact CE1-CG1 4.18Å; Y532-I536 HydrophobicContact CE2-CD1 4.33Å; Y532-I536 PolarHBondContact O-N 3.24Å
533	L	42.9	Very low	44.2	Very low	77 Å²	77	97.2 Å²	97.2	40%	0.403	48%	0.483	S	S	.	.	H	α-helix	trans	-61	-43.2	175.4	-71.1	171.4	0	0	0	111.3	H529 Q530 N535 I536 Q537	H529-L533 WeakPolarHBondContact O-CG 3.27Å; H529-L533 PolarHBondContact O-N 3.05Å; Q530-L533 PolarHBondContact O-N 3.34Å; L533-N535 VanDerWaalsContact C-N 3.3Å; L533-N535 PolarHBondContact O-N 3.28Å; L533-I536 PolarHBondContact O-N 3.16Å; L533-Q537 WeakPolarHBondContact O-CB 3.48Å; L533-Q537 PolarHBondContact O-N 3.35Å
534	N	45.7	Very low	44.5	Very low	97 Å²	97	98.7 Å²	98.7	52%	0.519	49%	0.487	S	S	.	.	H	α-helix	trans	-63.7	-36.8	175.6	-66.6	-6.8	0	0	0	111.8	Q530 Y532 Q537 S538	Q530-N534 WeakPolarHBondContact O-CB 3.36Å; Q530-N534 PolarHBondContact O-N 3.28Å; Q530-N534 PolarHBondContact O-ND2 3.43Å; Q530-N534 PolarHBondContact O-OD1 3.46Å; Y532-N534 VanDerWaalsContact C-N 3.34Å; Y532-N534 PolarHBondContact O-N 2.9Å; N534-Q537 PolarHBondContact O-N 2.81Å; N534-S538 WeakPolarHBondContact O-CB 3.48Å; N534-S538 PolarHBondContact O-N 3.16Å
535	N	41.6	Very low	44.9	Very low	104 Å²	104	100.1 Å²	100.1	56%	0.556	49%	0.494	S	S	*	.	H	α-helix	trans	-64.8	-43.4	173.2	-112.8	24.8	0	0	0	111.7	K531 Y532 L533 Q537 S538 I539	K531-N535 WeakPolarHBondContact O-CB 3.41Å; K531-N535 PolarHBondContact O-N 3.19Å; Y532-N535 WeakPolarHBondContact O-CB 3.45Å; Y532-N535 PolarHBondContact O-N 3.03Å; Y532-N535 VanDerWaalsContact O-N 3.17Å; L533-N535 VanDerWaalsContact C-N 3.3Å; L533-N535 PolarHBondContact O-N 3.28Å; N535-Q537 VanDerWaalsContact C-N 3.35Å; N535-S538 PolarHBondContact O-N 3.23Å; N535-I539 WeakPolarHBondContact O-CD1 3.41Å; N535-I539 WeakPolarHBondContact O-CG1 3.36Å; N535-I539 PolarHBondContact O-N 2.93Å
536	I	41.1	Very low	45.1	Very low	65 Å²	65	103.3 Å²	103.3	33%	0.333	50%	0.503	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175	-70.3	-175.9	0	0	0	110.7	Y532 L533 S538 I539 N540	Y532-I536 HydrophobicContact CD1-CD1 3.96Å; Y532-I536 HydrophobicContact CE1-CD1 3.28Å; Y532-I536 HydrophobicContact CE1-CG1 4.18Å; Y532-I536 HydrophobicContact CE2-CD1 4.33Å; Y532-I536 PolarHBondContact O-N 3.24Å; L533-I536 PolarHBondContact O-N 3.16Å; I536-S538 VanDerWaalsContact C-N 3.33Å; I536-S538 PolarHBondContact O-N 3.47Å; I536-I539 PolarHBondContact O-N 3.23Å; I536-N540 WeakPolarHBondContact O-CB 3.35Å; I536-N540 PolarHBondContact O-N 3.5Å
537	Q	45.1	Very low	45	Very low	119 Å²	119	107.5 Å²	107.5	56%	0.556	52%	0.517	S	S	*	.	H	α-helix	trans	-57.6	-49.1	177.1	-161.1	86.4	20.1	0	0	110	L533 N534 N535 I539 N540 D541	L533-Q537 WeakPolarHBondContact O-CB 3.48Å; L533-Q537 PolarHBondContact O-N 3.35Å; N534-Q537 PolarHBondContact O-N 2.81Å; N535-Q537 VanDerWaalsContact C-N 3.35Å; Q537-I539 VanDerWaalsContact C-N 3.33Å; Q537-I539 PolarHBondContact O-N 2.94Å; Q537-N540 WeakPolarHBondContact O-CB 3.37Å; Q537-N540 PolarHBondContact O-N 3.1Å; Q537-N540 VanDerWaalsContact O-N 3.1Å; Q537-D541 WeakPolarHBondContact O-CB 3.38Å; Q537-D541 PolarHBondContact O-N 2.86Å
538	S	47.3	Very low	44.9	Very low	59 Å²	59	108.3 Å²	108.3	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-58.6	-42.2	175.6	-174.8	0	0	0	0	112.4	N534 N535 I536 D541 D542	N534-S538 WeakPolarHBondContact O-CB 3.48Å; N534-S538 PolarHBondContact O-N 3.16Å; N535-S538 PolarHBondContact O-N 3.23Å; I536-S538 VanDerWaalsContact C-N 3.33Å; I536-S538 PolarHBondContact O-N 3.47Å; S538-D541 PolarHBondContact O-N 3.44Å; S538-D542 WeakPolarHBondContact O-CB 3.33Å; S538-D542 PolarHBondContact O-N 3.48Å
539	I	44.5	Very low	44.4	Very low	91 Å²	91	106.8 Å²	106.8	47%	0.467	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-40.9	176.2	-68.7	163.1	0	0	0	110.5	N535 I536 Q537 D542 L543	N535-I539 WeakPolarHBondContact O-CD1 3.41Å; N535-I539 WeakPolarHBondContact O-CG1 3.36Å; N535-I539 PolarHBondContact O-N 2.93Å; I536-I539 PolarHBondContact O-N 3.23Å; Q537-I539 VanDerWaalsContact C-N 3.33Å; Q537-I539 PolarHBondContact O-N 2.94Å; I539-D542 PolarHBondContact O-N 3.03Å; I539-L543 HydrophobicContact CG2-CD1 3.94Å; I539-L543 HydrophobicContact CG2-CG 4.29Å; I539-L543 WeakPolarHBondContact O-CB 3.39Å; I539-L543 WeakPolarHBondContact O-CG 3.45Å; I539-L543 PolarHBondContact O-N 3.17Å
540	N	43.4	Very low	44.3	Very low	89 Å²	89	109.4 Å²	109.4	48%	0.476	53%	0.533	S	S	.	.	H	α-helix	trans	-66.8	-38.9	177.7	-107.1	-1.5	0	0	0	112.1	I536 Q537 L543 K544	I536-N540 WeakPolarHBondContact O-CB 3.35Å; I536-N540 PolarHBondContact O-N 3.5Å; Q537-N540 WeakPolarHBondContact O-CB 3.37Å; Q537-N540 PolarHBondContact O-N 3.1Å; Q537-N540 VanDerWaalsContact O-N 3.1Å; N540-L543 PolarHBondContact O-N 3.4Å; N540-K544 WeakPolarHBondContact O-CB 3.13Å; N540-K544 WeakPolarHBondContact O-CG 3.37Å; N540-K544 PolarHBondContact O-N 3.28Å
541	D	53.1	Low	44	Very low	79 Å²	79	111 Å²	111	42%	0.422	54%	0.544	S	S	.	.	H	α-helix	trans	-66.6	-42.5	175.7	-65.4	-24.9	0	0	0	110	Q537 S538 K544 L545	Q537-D541 WeakPolarHBondContact O-CB 3.38Å; Q537-D541 PolarHBondContact O-N 2.86Å; S538-D541 PolarHBondContact O-N 3.44Å; D541-K544 WeakPolarHBondContact O-CB 3.38Å; D541-K544 PolarHBondContact O-N 3.31Å; D541-L545 WeakPolarHBondContact O-CB 3.49Å; D541-L545 PolarHBondContact O-N 2.82Å
542	D	49.5	Very low	43.5	Very low	101 Å²	101	109.4 Å²	109.4	54%	0.54	55%	0.548	S	S	.	.	H	α-helix	trans	-62.2	-41.8	172.4	-82.2	-14.7	0	0	0	112.1	S538 I539 L545 K546	S538-D542 WeakPolarHBondContact O-CB 3.33Å; S538-D542 PolarHBondContact O-N 3.48Å; I539-D542 PolarHBondContact O-N 3.03Å; D542-L545 PolarHBondContact O-N 3.38Å; D542-K546 WeakPolarHBondContact O-CB 3.33Å; D542-K546 PolarHBondContact O-N 2.88Å
543	L	39.1	Very low	43.3	Very low	69 Å²	69	108.5 Å²	108.5	36%	0.361	56%	0.558	S	S	.	*	H	α-helix	trans	-65.4	-42.4	175.7	-73	171.6	0	0	0	111	I539 N540 L545 K546 Y547	I539-L543 HydrophobicContact CG2-CD1 3.94Å; I539-L543 HydrophobicContact CG2-CG 4.29Å; I539-L543 WeakPolarHBondContact O-CB 3.39Å; I539-L543 WeakPolarHBondContact O-CG 3.45Å; I539-L543 PolarHBondContact O-N 3.17Å; N540-L543 PolarHBondContact O-N 3.4Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 2.89Å; L543-K546 PolarHBondContact O-N 3.4Å; L543-Y547 HydrophobicContact CB-CD2 4.4Å; L543-Y547 HydrophobicContact CD2-CD2 3.95Å; L543-Y547 HydrophobicContact CD2-CE2 3.55Å; L543-Y547 WeakPolarHBondContact O-CB 3.44Å; L543-Y547 VanDerWaalsContact O-CD2 3.32Å; L543-Y547 WeakPolarHBondContact O-CD2 3.48Å; L543-Y547 PolarHBondContact O-N 2.71Å
544	K	50.1	Low	42.9	Very low	128 Å²	128	110.9 Å²	110.9	56%	0.557	58%	0.578	S	S	*	*	H	α-helix	trans	-58.4	-42.7	172.9	-86.9	-175	171.7	-169.5	0	111.6	N540 D541 Q548	N540-K544 WeakPolarHBondContact O-CB 3.13Å; N540-K544 WeakPolarHBondContact O-CG 3.37Å; N540-K544 PolarHBondContact O-N 3.28Å; D541-K544 WeakPolarHBondContact O-CB 3.38Å; D541-K544 PolarHBondContact O-N 3.31Å; K544-Q548 PolarHBondContact O-N 3.48Å
545	L	50.4	Low	42.4	Very low	144 Å²	144	111.8 Å²	111.8	75%	0.754	59%	0.592	S	S	*	*	H	α-helix	trans	-68	-44.4	178.6	-129.4	125.4	0	0	0	111.8	D541 D542 L543	D541-L545 WeakPolarHBondContact O-CB 3.49Å; D541-L545 PolarHBondContact O-N 2.82Å; D542-L545 PolarHBondContact O-N 3.38Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 2.89Å
546	K	43.7	Very low	42.1	Very low	166 Å²	166	111.7 Å²	111.7	72%	0.722	60%	0.6	S	S	*	*	H	α-helix	trans	-72.5	-33.3	-175.4	-166.8	174.3	-171.7	178.1	0	112.9	D542 L543	D542-K546 WeakPolarHBondContact O-CB 3.33Å; D542-K546 PolarHBondContact O-N 2.88Å; L543-K546 PolarHBondContact O-N 3.4Å
547	Y	40.8	Very low	41.8	Very low	152 Å²	152	114.7 Å²	114.7	60%	0.596	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	12.8	-177.4	-71.9	-75.1	0	0	0	114	L543 I549	L543-Y547 HydrophobicContact CB-CD2 4.4Å; L543-Y547 HydrophobicContact CD2-CD2 3.95Å; L543-Y547 HydrophobicContact CD2-CE2 3.55Å; L543-Y547 WeakPolarHBondContact O-CB 3.44Å; L543-Y547 VanDerWaalsContact O-CD2 3.32Å; L543-Y547 WeakPolarHBondContact O-CD2 3.48Å; L543-Y547 PolarHBondContact O-N 2.71Å; Y547-I549 WeakPolarHBondContact O-CG1 3.39Å; Y547-I549 PolarHBondContact O-N 2.9Å
548	Q	44.6	Very low	41.3	Very low	157 Å²	157	113.7 Å²	113.7	73%	0.734	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	30.2	52	-178	-73.7	-174.3	2.1	0	0	110.9	K544 I550	K544-Q548 PolarHBondContact O-N 3.48Å; Q548-I550 PolarHBondContact O-N 3.12Å
549	I	34	Very low	40.9	Very low	109 Å²	109	116.8 Å²	116.8	56%	0.559	65%	0.648	S	S	*	*			trans	-76	81	-178.2	-56.6	177.6	0	0	0	103.9	Y547 D551	Y547-I549 WeakPolarHBondContact O-CG1 3.39Å; Y547-I549 PolarHBondContact O-N 2.9Å; I549-D551 PolarHBondContact O-N 3.17Å; I549-D551 VanDerWaalsContact O-N 3.14Å
550	I	38.8	Very low	40.4	Very low	134 Å²	134	120 Å²	120	69%	0.687	67%	0.665	S	S	*	*			trans	-64.2	110.2	170.3	-63.1	165.3	0	0	0	103.2	Q548	Q548-I550 PolarHBondContact O-N 3.12Å
551	D	39.8	Very low	40	Very low	120 Å²	120	120.5 Å²	120.5	64%	0.642	68%	0.676	S	S	*	*			trans	-46	130.8	169.7	-70.8	-47.9	0	0	0	107.5	I549	I549-D551 PolarHBondContact O-N 3.17Å; I549-D551 VanDerWaalsContact O-N 3.14Å
552	P	38.3	Very low	39.4	Very low	111 Å²	111	122.8 Å²	122.8	72%	0.721	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-51.8	131	-177.8	19.4	-30.5	0	0	0	108.6
553	P	35.9	Very low	38.6	Very low	108 Å²	108	124.8 Å²	124.8	70%	0.701	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-55.8	136.6	-175.6	20.5	-30.8	0	0	0	109	S555	P553-S555 PolarHBondContact O-N 2.96Å
554	P	35.2	Very low	38.4	Very low	126 Å²	126	126.5 Å²	126.5	82%	0.818	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-56.3	117.2	-176.4	21.1	-30.7	0	0	0	108.4	S556	P554-S556 PolarHBondContact O-N 3.4Å
555	S	34	Very low	37.9	Very low	117 Å²	117	125.8 Å²	125.8	82%	0.818	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-47.8	125.4	173.9	39.5	0	0	0	0	109	P553	P553-S555 PolarHBondContact O-N 2.96Å
556	S	35.1	Very low	37	Very low	102 Å²	102	124.9 Å²	124.9	71%	0.713	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-53	141.6	-174.4	44.8	0	0	0	0	111.7	P554 S558	P554-S556 PolarHBondContact O-N 3.4Å; S556-S558 PolarHBondContact O-N 2.99Å; S556-S558 VanDerWaalsContact O-N 3.11Å
557	P	35.7	Very low	36.5	Very low	128 Å²	128	121.6 Å²	121.6	83%	0.831	73%	0.729	S	S	*	*			trans	-70.3	111.6	-171.2	27.8	-32.8	0	0	0	109.8
558	S	34.1	Very low	36.2	Very low	97 Å²	97	120.5 Å²	120.5	68%	0.678	74%	0.741	S	S	*	*			trans	-70.7	144.1	166.6	-64.1	0	0	0	0	109.3	S556 L560	S556-S558 PolarHBondContact O-N 2.99Å; S556-S558 VanDerWaalsContact O-N 3.11Å; S558-L560 PolarHBondContact O-N 3.41Å; S558-L560 VanDerWaalsContact O-N 3.08Å
559	P	40	Very low	35.5	Very low	125 Å²	125	119.9 Å²	119.9	81%	0.812	74%	0.742	S	S	*	*			trans	-64.9	113.5	-170.7	-14.2	27.7	0	0	0	110.7	S561	P559-S561 PolarHBondContact O-N 3.38Å; P559-S561 VanDerWaalsContact O-N 3.1Å
560	L	33.1	Very low	35.4	Very low	158 Å²	158	120.5 Å²	120.5	83%	0.827	75%	0.751	S	S	*	*			trans	-62.9	109.9	172.9	-84.3	141.7	0	0	0	109	S558 L563	S558-L560 PolarHBondContact O-N 3.41Å; S558-L560 VanDerWaalsContact O-N 3.08Å; L560-L563 HydrophobicContact CD2-CD1 4.39Å
561	S	35.4	Very low	35.1	Very low	99 Å²	99	121.2 Å²	121.2	69%	0.692	75%	0.751	S	S	*	*			trans	-65.6	148.4	161.9	-63.4	0	0	0	0	109.1	P559 L563	P559-S561 PolarHBondContact O-N 3.38Å; P559-S561 VanDerWaalsContact O-N 3.1Å; S561-L563 PolarHBondContact O-N 2.96Å; S561-L563 VanDerWaalsContact O-N 3.11Å
562	P	39.6	Very low	34.8	Very low	128 Å²	128	123 Å²	123	83%	0.831	76%	0.755	S	S	*	*			trans	-65.7	115.9	-168.9	-7.7	21.5	0	0	0	109.9
563	L	32.4	Very low	34.4	Very low	143 Å²	143	123.9 Å²	123.9	75%	0.749	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-68.1	131	171.2	-83.9	148.2	0	0	0	109	L560 S561	L560-L563 HydrophobicContact CD2-CD1 4.39Å; S561-L563 PolarHBondContact O-N 2.96Å; S561-L563 VanDerWaalsContact O-N 3.11Å
564	P	36.3	Very low	34.5	Very low	104 Å²	104	126.9 Å²	126.9	68%	0.675	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-62.5	155.8	172.5	25.1	-31.4	0	0	0	110.8
565	P	39.4	Very low	34.5	Very low	113 Å²	113	125.5 Å²	125.5	73%	0.734	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-58	139.1	-167.7	22.4	-33.3	0	0	0	111.6	S567	P565-S567 PolarHBondContact O-N 3.33Å; P565-S567 VanDerWaalsContact O-N 3.13Å
566	P	32	Very low	34.6	Very low	125 Å²	125	127.5 Å²	127.5	81%	0.812	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-62.2	121	178.8	25.4	-31	0	0	0	108.7
567	S	31.5	Very low	34.9	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-57.9	146.1	160.1	-56.9	0	0	0	0	108.1	P565 L569	P565-S567 PolarHBondContact O-N 3.33Å; P565-S567 VanDerWaalsContact O-N 3.13Å; S567-L569 VanDerWaalsContact C-N 3.31Å; S567-L569 PolarHBondContact O-N 3.5Å
568	P	35.7	Very low	35.2	Very low	129 Å²	129	130.1 Å²	130.1	84%	0.838	72%	0.722	S	S	*	*			trans	-65.9	90.3	-171.4	26.3	-33.1	0	0	0	110.2	T570	P568-T570 PolarHBondContact O-N 2.86Å
569	L	29.8	Very low	36	Very low	145 Å²	145	129.5 Å²	129.5	76%	0.759	71%	0.712	S	S	*	*			trans	-71.6	112.5	165.7	-86.2	158.2	0	0	0	106.2	S567 H571	S567-L569 VanDerWaalsContact C-N 3.31Å; S567-L569 PolarHBondContact O-N 3.5Å; L569-H571 PolarHBondContact O-N 2.85Å
570	T	32.2	Very low	36.5	Very low	122 Å²	122	127.4 Å²	127.4	75%	0.748	69%	0.693	S	S	*	*			trans	-58.7	79.4	164.9	45.6	0	0	0	0	108.5	P568 H572	P568-T570 PolarHBondContact O-N 2.86Å; T570-H572 PolarHBondContact O-N 2.92Å
571	H	31.2	Very low	38.1	Very low	148 Å²	148	125.1 Å²	125.1	69%	0.685	68%	0.681	S	S	*	*			trans	-64.6	94.1	163.1	-102.1	-75.2	0	0	0	106.2	L569 H573	L569-H571 PolarHBondContact O-N 2.85Å; H571-H573 PolarHBondContact O-N 3.33Å
572	H	33.2	Very low	39.4	Very low	159 Å²	159	126 Å²	126	74%	0.736	67%	0.672	S	S	*	*			trans	-62.2	79.7	153	-78.6	-52.8	0	0	0	106.9	T570 H574	T570-H572 PolarHBondContact O-N 2.92Å; H572-H574 PolarHBondContact O-N 2.78Å
573	H	31.4	Very low	40.1	Very low	129 Å²	129	124.4 Å²	124.4	60%	0.597	66%	0.656	S	S	*	*			trans	-56.1	90	149.7	-91	-84.4	0	0	0	106	H571 D575	H571-H573 PolarHBondContact O-N 3.33Å; H573-D575 WeakPolarHBondContact CB-OD2 3.47Å; H573-D575 IonicContact CE1-OD1 3.56Å; H573-D575 IonicContact CG-OD1 3.82Å; H573-D575 IonicContact CG-OD2 2.82Å; H573-D575 IonicContact ND1-OD1 3.86Å; H573-D575 PolarHBondContact ND1-OD1 2.74Å; H573-D575 IonicContact ND1-OD2 3.94Å; H573-D575 PolarHBondContact O-N 3.24Å
574	H	36.4	Very low	42.1	Very low	170 Å²	170	123 Å²	123	79%	0.787	64%	0.644	S	S	*	*			trans	-70.2	69.5	150.8	-87.9	2.8	0	0	0	106.1	H572 H576	H572-H574 PolarHBondContact O-N 2.78Å; H574-H576 PolarHBondContact O-N 2.84Å
575	D	35.9	Very low	44.3	Very low	97 Å²	97	122.8 Å²	122.8	52%	0.519	64%	0.636	S	S	.	*			trans	-60.7	128.8	173.5	-77.6	-29.6	0	0	0	107.3	H573 D577	H573-D575 WeakPolarHBondContact CB-OD2 3.47Å; H573-D575 IonicContact CE1-OD1 3.56Å; H573-D575 IonicContact CG-OD1 3.82Å; H573-D575 IonicContact CG-OD2 2.82Å; H573-D575 IonicContact ND1-OD1 3.86Å; H573-D575 PolarHBondContact ND1-OD1 2.74Å; H573-D575 IonicContact ND1-OD2 3.94Å; H573-D575 PolarHBondContact O-N 3.24Å; D575-D577 PolarHBondContact O-N 2.72Å
576	H	36.8	Very low	45.2	Very low	159 Å²	159	122.1 Å²	122.1	74%	0.736	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	11.1	176.3	-84.7	-77.7	0	0	0	114.6	H574 Y578	H574-H576 PolarHBondContact O-N 2.84Å; H576-Y578 VanDerWaalsContact C-N 3.34Å
577	D	40	Very low	47.3	Very low	108 Å²	108	122 Å²	122	58%	0.578	62%	0.616	S	S	*	*	H	α-helix	trans	-72.5	-23.4	178.3	-97.2	-16.6	0	0	0	113.4	D575 D579 I580	D575-D577 PolarHBondContact O-N 2.72Å; D577-D579 PolarHBondContact O-N 2.78Å; D577-D579 VanDerWaalsContact O-N 3.1Å; D577-I580 PolarHBondContact O-N 3.43Å
578	Y	43.2	Very low	49.8	Very low	177 Å²	177	123.6 Å²	123.6	69%	0.694	61%	0.612	S	S	*	*	H	α-helix	trans	-62.1	-22.8	178.3	-166.4	-98.8	0	0	0	113	H576 K582	H576-Y578 VanDerWaalsContact C-N 3.34Å; Y578-K582 HydrophobicContact CE1-CD 4.31Å
579	D	50.3	Low	51.8	Low	85 Å²	85	121.9 Å²	121.9	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-85.7	-28.9	178.2	-83.2	-32.1	0	0	0	113.3	D577 K582 I583	D577-D579 PolarHBondContact O-N 2.78Å; D577-D579 VanDerWaalsContact O-N 3.1Å; D579-K582 PolarHBondContact O-N 2.82Å; D579-I583 HydrophobicContact CB-CD1 4.49Å; D579-I583 WeakPolarHBondContact O-CB 3.48Å; D579-I583 WeakPolarHBondContact O-CD1 3.41Å; D579-I583 WeakPolarHBondContact O-CG1 3.39Å; D579-I583 PolarHBondContact O-N 3.41Å
580	I	51.3	Low	53.5	Low	81 Å²	81	118.7 Å²	118.7	42%	0.415	58%	0.578	S	S	.	*	H	α-helix	trans	-67.2	-45.6	-177.2	-65	-176.9	0	0	0	111	D577 K582 I583 K584	D577-I580 PolarHBondContact O-N 3.43Å; I580-K582 VanDerWaalsContact C-N 3.3Å; I580-K582 PolarHBondContact O-N 3.2Å; I580-I583 PolarHBondContact O-N 2.9Å; I580-K584 HydrophobicContact CG2-CD 4.22Å; I580-K584 WeakPolarHBondContact O-CG 3.22Å; I580-K584 PolarHBondContact O-N 2.81Å
581	D	66.9	Low	55.9	Low	109 Å²	109	120.1 Å²	120.1	58%	0.583	57%	0.574	S	S	*	*	H	α-helix	trans	-67.4	-35.1	179	-75.9	-19.6	0	0	0	111.9	K584 L585	D581-K584 PolarHBondContact O-N 3.19Å; D581-L585 WeakPolarHBondContact O-CB 3.46Å; D581-L585 PolarHBondContact O-N 3.48Å
582	K	61	Low	58.2	Low	118 Å²	118	117.7 Å²	117.7	51%	0.513	56%	0.563	S	S	.	*	H	α-helix	trans	-68	-38.8	175.6	-146.5	173.4	-170.8	172.9	0	111.5	Y578 D579 I580 N586	Y578-K582 HydrophobicContact CE1-CD 4.31Å; D579-K582 PolarHBondContact O-N 2.82Å; I580-K582 VanDerWaalsContact C-N 3.3Å; I580-K582 PolarHBondContact O-N 3.2Å; K582-N586 WeakPolarHBondContact O-CB 3.4Å; K582-N586 PolarHBondContact O-N 2.92Å
583	I	54.2	Low	60	Low	95 Å²	95	115.8 Å²	115.8	49%	0.487	55%	0.554	S	S	.	*	H	α-helix	trans	-63.5	-49	172.9	-70.8	163.4	0	0	0	110.1	D579 I580 L585 N586 E587	D579-I583 HydrophobicContact CB-CD1 4.49Å; D579-I583 WeakPolarHBondContact O-CB 3.48Å; D579-I583 WeakPolarHBondContact O-CD1 3.41Å; D579-I583 WeakPolarHBondContact O-CG1 3.39Å; D579-I583 PolarHBondContact O-N 3.41Å; I580-I583 PolarHBondContact O-N 2.9Å; I583-L585 VanDerWaalsContact C-N 3.35Å; I583-L585 PolarHBondContact O-N 2.86Å; I583-N586 WeakPolarHBondContact O-CB 3.37Å; I583-N586 PolarHBondContact O-N 2.81Å; I583-N586 VanDerWaalsContact O-N 3.12Å; I583-E587 WeakPolarHBondContact O-CG 3.42Å; I583-E587 PolarHBondContact O-N 2.83Å
584	K	74.7	Confident	62	Low	114 Å²	114	115.9 Å²	115.9	50%	0.496	55%	0.553	S	S	.	*	H	α-helix	trans	-58.4	-43.9	177.4	-74.8	174.6	-176.6	166.3	0	112.3	I580 D581 N586 E587 Q588	I580-K584 HydrophobicContact CG2-CD 4.22Å; I580-K584 WeakPolarHBondContact O-CG 3.22Å; I580-K584 PolarHBondContact O-N 2.81Å; D581-K584 PolarHBondContact O-N 3.19Å; K584-N586 VanDerWaalsContact C-N 3.32Å; K584-N586 PolarHBondContact O-N 3.4Å; K584-E587 PolarHBondContact O-N 3.1Å; K584-Q588 WeakPolarHBondContact O-CG 3.19Å; K584-Q588 PolarHBondContact O-N 3.39Å
585	L	82.5	Confident	64.1	Low	98 Å²	98	112.6 Å²	112.6	51%	0.513	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-40.7	176.8	-174.2	68.1	0	0	0	111.4	D581 I583 Q588 L589	D581-L585 WeakPolarHBondContact O-CB 3.46Å; D581-L585 PolarHBondContact O-N 3.48Å; I583-L585 VanDerWaalsContact C-N 3.35Å; I583-L585 PolarHBondContact O-N 2.86Å; L585-Q588 PolarHBondContact O-N 3.43Å; L585-L589 HydrophobicContact CG-CD1 4.42Å; L585-L589 PolarHBondContact O-N 3.13Å
586	N	59.2	Low	66.1	Low	100 Å²	100	113.5 Å²	113.5	54%	0.535	55%	0.545	S	S	.	.	H	α-helix	trans	-67.8	-37.2	178.9	-145.2	24.4	0	0	0	111.6	K582 I583 K584 L589 I590	K582-N586 WeakPolarHBondContact O-CB 3.4Å; K582-N586 PolarHBondContact O-N 2.92Å; I583-N586 WeakPolarHBondContact O-CB 3.37Å; I583-N586 PolarHBondContact O-N 2.81Å; I583-N586 VanDerWaalsContact O-N 3.12Å; K584-N586 VanDerWaalsContact C-N 3.32Å; K584-N586 PolarHBondContact O-N 3.4Å; N586-L589 PolarHBondContact O-N 3.44Å; N586-I590 WeakPolarHBondContact O-CD1 3.48Å; N586-I590 VanDerWaalsContact O-CG1 3.27Å; N586-I590 WeakPolarHBondContact O-CG1 3.48Å; N586-I590 PolarHBondContact O-N 2.82Å
587	E	76.8	Confident	67.3	Low	123 Å²	123	113 Å²	113	58%	0.575	55%	0.545	S	S	*	.	H	α-helix	trans	-64.3	-39.5	172.7	-72.7	-173.3	163.8	0	0	112.5	I583 K584 I590 K591	I583-E587 WeakPolarHBondContact O-CG 3.42Å; I583-E587 PolarHBondContact O-N 2.83Å; K584-E587 PolarHBondContact O-N 3.1Å; E587-I590 PolarHBondContact O-N 3.38Å; E587-K591 PolarHBondContact O-N 2.9Å
588	Q	83.1	Confident	68.7	Low	129 Å²	129	119.3 Å²	119.3	60%	0.603	57%	0.567	S	S	*	*	H	α-helix	trans	-64.2	-44.2	174.7	-74	-179.1	-5.7	0	0	111.8	K584 L585 I590 K591 Q592	K584-Q588 WeakPolarHBondContact O-CG 3.19Å; K584-Q588 PolarHBondContact O-N 3.39Å; L585-Q588 PolarHBondContact O-N 3.43Å; Q588-I590 VanDerWaalsContact C-N 3.34Å; Q588-I590 PolarHBondContact O-N 2.79Å; Q588-K591 WeakPolarHBondContact O-CB 3.5Å; Q588-K591 PolarHBondContact O-N 3.3Å; Q588-Q592 PolarHBondContact O-N 2.9Å
589	L	77.7	Confident	69.9	Low	94 Å²	94	116.5 Å²	116.5	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-58.2	-44.6	174.4	-90.7	154.2	0	0	0	111.8	L585 N586 K591 Q592 E593	L585-L589 HydrophobicContact CG-CD1 4.42Å; L585-L589 PolarHBondContact O-N 3.13Å; N586-L589 PolarHBondContact O-N 3.44Å; L589-K591 VanDerWaalsContact C-N 3.34Å; L589-K591 PolarHBondContact O-N 3.36Å; L589-Q592 PolarHBondContact O-N 3.42Å; L589-E593 WeakPolarHBondContact O-CG 3.35Å; L589-E593 PolarHBondContact O-N 2.91Å
590	I	65.9	Low	71	Confident	78 Å²	78	118.1 Å²	118.1	40%	0.4	57%	0.567	S	S	.	*	H	α-helix	trans	-65.1	-38	177.1	-67.9	165	0	0	0	111.4	N586 E587 Q588 K594	N586-I590 WeakPolarHBondContact O-CD1 3.48Å; N586-I590 VanDerWaalsContact O-CG1 3.27Å; N586-I590 WeakPolarHBondContact O-CG1 3.48Å; N586-I590 PolarHBondContact O-N 2.82Å; E587-I590 PolarHBondContact O-N 3.38Å; Q588-I590 VanDerWaalsContact C-N 3.34Å; Q588-I590 PolarHBondContact O-N 2.79Å; I590-K594 WeakPolarHBondContact O-CG 3.39Å; I590-K594 PolarHBondContact O-N 3.32Å; I590-K594 VanDerWaalsContact O-N 3.08Å
591	K	82.1	Confident	72.1	Confident	151 Å²	151	120.2 Å²	120.2	66%	0.657	58%	0.575	S	S	*	*	H	α-helix	trans	-63.2	-44.3	173.8	-92.3	-179.2	176.5	174.1	0	111.3	E587 Q588 L589 K594 I595	E587-K591 PolarHBondContact O-N 2.9Å; Q588-K591 WeakPolarHBondContact O-CB 3.5Å; Q588-K591 PolarHBondContact O-N 3.3Å; L589-K591 VanDerWaalsContact C-N 3.34Å; L589-K591 PolarHBondContact O-N 3.36Å; K591-K594 WeakPolarHBondContact O-CB 3.13Å; K591-K594 PolarHBondContact O-N 3.11Å; K591-I595 WeakPolarHBondContact O-CG1 3.32Å; K591-I595 PolarHBondContact O-N 3.38Å
592	Q	78.7	Confident	72.4	Confident	98 Å²	98	120.8 Å²	120.8	46%	0.458	58%	0.575	S	S	.	*	H	α-helix	trans	-64.7	-44.7	178.4	-167.9	60	40	0	0	111.5	Q588 L589 K594 I595 D596	Q588-Q592 PolarHBondContact O-N 2.9Å; L589-Q592 PolarHBondContact O-N 3.42Å; Q592-K594 PolarHBondContact O-N 2.84Å; Q592-I595 PolarHBondContact O-N 2.71Å; Q592-D596 PolarHBondContact NE2-OD1 3.1Å; Q592-D596 PolarHBondContact O-N 3.14Å
593	E	71.1	Confident	73.1	Confident	118 Å²	118	121 Å²	121	55%	0.551	58%	0.578	S	S	*	*	H	α-helix	trans	-58.5	-36.1	174.9	-75.1	-173.6	159.6	0	0	112.2	L589 M597	L589-E593 WeakPolarHBondContact O-CG 3.35Å; L589-E593 PolarHBondContact O-N 2.91Å; E593-M597 WeakPolarHBondContact O-CB 3.47Å; E593-M597 WeakPolarHBondContact O-CE 3.42Å; E593-M597 VanDerWaalsContact O-CG 3.26Å; E593-M597 WeakPolarHBondContact O-CG 3.44Å; E593-M597 PolarHBondContact O-N 3Å; E593-M597 VanDerWaalsContact O-N 3.11Å
594	K	73.4	Confident	74.4	Confident	131 Å²	131	122.7 Å²	122.7	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-69.6	-32.3	174.9	-77.1	177.6	180	177.9	0	113.2	I590 K591 Q592 M597 K598	I590-K594 WeakPolarHBondContact O-CG 3.39Å; I590-K594 PolarHBondContact O-N 3.32Å; I590-K594 VanDerWaalsContact O-N 3.08Å; K591-K594 WeakPolarHBondContact O-CB 3.13Å; K591-K594 PolarHBondContact O-N 3.11Å; Q592-K594 PolarHBondContact O-N 2.84Å; K594-M597 HydrophobicContact CG-CE 4.22Å; K594-K598 PolarHBondContact O-N 3.11Å
595	I	82.4	Confident	74.3	Confident	102 Å²	102	123.4 Å²	123.4	52%	0.523	59%	0.591	S	S	.	*	H	α-helix	trans	-72.3	-46.9	175	-68.1	166.9	0	0	0	109.6	K591 Q592 M597 K598	K591-I595 WeakPolarHBondContact O-CG1 3.32Å; K591-I595 PolarHBondContact O-N 3.38Å; Q592-I595 PolarHBondContact O-N 2.71Å; I595-M597 PolarHBondContact O-N 3.08Å; I595-K598 PolarHBondContact O-N 3.2Å; I595-K598 VanDerWaalsContact O-OXT 3.08Å
596	D	76.7	Confident	73.7	Confident	116 Å²	116	125.3 Å²	125.3	62%	0.62	60%	0.597	S	S	*	*	H	α-helix	trans	-65.7	-22.3	179.8	-62.5	-12	0	0	0	113.1	Q592	Q592-D596 PolarHBondContact NE2-OD1 3.1Å; Q592-D596 PolarHBondContact O-N 3.14Å
597	M	61.2	Low	74.9	Confident	147 Å²	147	127.4 Å²	127.4	72%	0.724	60%	0.602	S	S	*	*	H	α-helix	trans	-82.3	-25.3	173.2	-80.5	-168.4	-61.1	0	0	114.1	E593 K594 I595	E593-M597 WeakPolarHBondContact O-CB 3.47Å; E593-M597 WeakPolarHBondContact O-CE 3.42Å; E593-M597 VanDerWaalsContact O-CG 3.26Å; E593-M597 WeakPolarHBondContact O-CG 3.44Å; E593-M597 PolarHBondContact O-N 3Å; E593-M597 VanDerWaalsContact O-N 3.11Å; K594-M597 HydrophobicContact CG-CE 4.22Å; I595-M597 PolarHBondContact O-N 3.08Å
598	K	69.9	Low	74.7	Confident	242 Å²	242	127.8 Å²	127.8	100%	1.052	61%	0.605	S	S	*	*			trans	-77.9	0	173.8	-89.6	-173.6	172.4	-175.1	0	109.4	K594 I595	K594-K598 PolarHBondContact O-N 3.11Å; I595-K598 PolarHBondContact O-N 3.2Å; I595-K598 VanDerWaalsContact O-OXT 3.08Å

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