A0A077ZG82_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG82, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 379 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	46.2	Very low	50.7	Low	211 Å²	211	111 Å²	111	100%	1.039	59%	0.591	S	S	*	*				0	7.8	0	-68.6	-163.3	-150.9	0	0	113.9	Q5	M1-Q5 PolarHBondContact O-OE1 3.14Å; M1-Q5 VanDerWaalsContact O-OE1 3.1Å
2	S	59.3	Low	50.7	Low	85 Å²	85	112.5 Å²	112.5	59%	0.594	59%	0.589	S	S	*	*			trans	-106.3	-2.9	-169.3	53.5	0	0	0	0	117.6	Q6	S2-Q6 WeakPolarHBondContact O-CG 3.38Å; S2-Q6 PolarHBondContact O-OE1 2.88Å; S2-Q6 VanDerWaalsContact O-OE1 3.14Å
3	S	49.6	Very low	50.9	Low	82 Å²	82	110.9 Å²	110.9	57%	0.573	58%	0.581	S	S	*	*	S	Bend	trans	-97.5	-45	178.2	62.7	0	0	0	0	114.1	Q5 Q6 L7	S3-Q5 PolarHBondContact O-N 3.18Å; S3-Q6 PolarHBondContact O-N 3.09Å; S3-L7 PolarHBondContact O-N 3.43Å
4	A	45.2	Very low	50.7	Low	60 Å²	60	111.2 Å²	111.2	50%	0.496	58%	0.578	S	S	.	*	H	α-helix	trans	-67.4	-36.4	-179.8	0	0	0	0	0	112.8	M8	A4-M8 WeakPolarHBondContact O-CB 3.49Å; A4-M8 PolarHBondContact O-N 2.98Å
5	Q	51.7	Low	50.4	Low	127 Å²	127	105.9 Å²	105.9	59%	0.593	55%	0.55	S	S	*	*	H	α-helix	trans	-68.2	-38.1	174.7	-73.8	-179.9	-31.2	0	0	111.8	M1 S3 M8 H9	M1-Q5 PolarHBondContact O-OE1 3.14Å; M1-Q5 VanDerWaalsContact O-OE1 3.1Å; S3-Q5 PolarHBondContact O-N 3.18Å; Q5-M8 PolarHBondContact O-N 3.41Å; Q5-H9 WeakPolarHBondContact O-CB 3.47Å; Q5-H9 PolarHBondContact O-N 2.73Å
6	Q	52.2	Low	50.3	Low	136 Å²	136	105.1 Å²	105.1	64%	0.636	55%	0.546	S	S	*	.	H	α-helix	trans	-68.4	-41.4	175.6	-77.5	178.5	-11.9	0	0	112	S2 S3 H9 K10	S2-Q6 WeakPolarHBondContact O-CG 3.38Å; S2-Q6 PolarHBondContact O-OE1 2.88Å; S2-Q6 VanDerWaalsContact O-OE1 3.14Å; S3-Q6 PolarHBondContact O-N 3.09Å; Q6-H9 PolarHBondContact O-N 3.24Å; Q6-K10 WeakPolarHBondContact O-CB 3.31Å; Q6-K10 PolarHBondContact O-N 3.5Å
7	L	50.3	Low	49.9	Very low	123 Å²	123	110.5 Å²	110.5	64%	0.644	56%	0.56	S	S	*	*	H	α-helix	trans	-62.3	-44.7	173.2	-84.7	159.7	0	0	0	111.8	S3 H9 K10 A11	S3-L7 PolarHBondContact O-N 3.43Å; L7-H9 VanDerWaalsContact C-N 3.34Å; L7-H9 PolarHBondContact O-N 3.21Å; L7-K10 PolarHBondContact O-N 3.05Å; L7-A11 VanDerWaalsContact O-CB 3.25Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.18Å
8	M	47.7	Very low	49.6	Very low	129 Å²	129	110.7 Å²	110.7	64%	0.635	56%	0.563	S	S	*	*	H	α-helix	trans	-63	-39.5	174.1	-83.6	-161.5	-88.4	0	0	112.3	A4 Q5 K12	A4-M8 WeakPolarHBondContact O-CB 3.49Å; A4-M8 PolarHBondContact O-N 2.98Å; Q5-M8 PolarHBondContact O-N 3.41Å; M8-K12 WeakPolarHBondContact O-CB 3.34Å; M8-K12 PolarHBondContact O-N 2.93Å
9	H	55.1	Low	49.4	Very low	112 Å²	112	106 Å²	106	52%	0.519	54%	0.542	S	S	.	.	H	α-helix	trans	-70	-38.7	178.9	-160.2	-35.4	0	0	0	112.1	Q5 Q6 L7 K12 N13	Q5-H9 WeakPolarHBondContact O-CB 3.47Å; Q5-H9 PolarHBondContact O-N 2.73Å; Q6-H9 PolarHBondContact O-N 3.24Å; L7-H9 VanDerWaalsContact C-N 3.34Å; L7-H9 PolarHBondContact O-N 3.21Å; H9-K12 PolarHBondContact O-N 2.94Å; H9-N13 PolarHBondContact CE1-ND2 3.43Å; H9-N13 VanDerWaalsContact CE1-ND2 3.33Å; H9-N13 PolarHBondContact ND1-ND2 3.41Å; H9-N13 VanDerWaalsContact ND1-ND2 3.2Å; H9-N13 WeakPolarHBondContact O-CB 3.48Å; H9-N13 PolarHBondContact O-N 2.9Å
10	K	52.1	Low	49.1	Very low	132 Å²	132	107.8 Å²	107.8	57%	0.574	55%	0.552	S	S	*	*	H	α-helix	trans	-68.4	-46.9	176.8	-163.6	-178.9	179.2	-171.2	0	111.3	Q6 L7 K12 N13 E14	Q6-K10 WeakPolarHBondContact O-CB 3.31Å; Q6-K10 PolarHBondContact O-N 3.5Å; L7-K10 PolarHBondContact O-N 3.05Å; K10-K12 VanDerWaalsContact C-N 3.32Å; K10-K12 PolarHBondContact O-N 3.49Å; K10-N13 PolarHBondContact O-N 3.49Å; K10-E14 PolarHBondContact O-N 3.49Å
11	A	48.8	Very low	49.1	Very low	24 Å²	24	110.1 Å²	110.1	20%	0.198	57%	0.566	C	S	.	*	H	α-helix	trans	-59.9	-43.2	173.2	0	0	0	0	0	111.2	L7 N13 I15	L7-A11 VanDerWaalsContact O-CB 3.25Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 3.18Å; A11-N13 VanDerWaalsContact C-N 3.33Å; A11-N13 PolarHBondContact O-N 3.3Å; A11-I15 HydrophobicContact CB-CD1 4.29Å; A11-I15 WeakPolarHBondContact O-CB 3.04Å; A11-I15 WeakPolarHBondContact O-CD1 3.17Å; A11-I15 WeakPolarHBondContact O-CG1 3.47Å; A11-I15 PolarHBondContact O-N 3.48Å
12	K	50.8	Low	49.3	Very low	129 Å²	129	103.7 Å²	103.7	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-59.8	-42.1	175.8	-173.1	177.7	-179.3	-170.9	0	111.7	M8 H9 K10 L16	M8-K12 WeakPolarHBondContact O-CB 3.34Å; M8-K12 PolarHBondContact O-N 2.93Å; H9-K12 PolarHBondContact O-N 2.94Å; K10-K12 VanDerWaalsContact C-N 3.32Å; K10-K12 PolarHBondContact O-N 3.49Å; K12-L16 HydrophobicContact CD-CD1 4.43Å; K12-L16 HydrophobicContact CG-CD1 3.51Å; K12-L16 WeakPolarHBondContact O-CB 3.25Å; K12-L16 WeakPolarHBondContact O-CD1 3.08Å; K12-L16 PolarHBondContact O-N 3.41Å
13	N	52.8	Low	49.2	Very low	92 Å²	92	102.8 Å²	102.8	49%	0.492	52%	0.521	S	S	.	.	H	α-helix	trans	-74.2	-43.5	-179.2	-74.9	-8	0	0	0	113.4	H9 K10 A11 I15 L16 Y17	H9-N13 PolarHBondContact CE1-ND2 3.43Å; H9-N13 VanDerWaalsContact CE1-ND2 3.33Å; H9-N13 PolarHBondContact ND1-ND2 3.41Å; H9-N13 VanDerWaalsContact ND1-ND2 3.2Å; H9-N13 WeakPolarHBondContact O-CB 3.48Å; H9-N13 PolarHBondContact O-N 2.9Å; K10-N13 PolarHBondContact O-N 3.49Å; A11-N13 VanDerWaalsContact C-N 3.33Å; A11-N13 PolarHBondContact O-N 3.3Å; N13-I15 VanDerWaalsContact C-N 3.34Å; N13-L16 PolarHBondContact O-N 2.93Å; N13-Y17 PolarHBondContact O-N 2.89Å; N13-Y17 VanDerWaalsContact O-N 3.13Å
14	E	48.8	Very low	49.5	Very low	115 Å²	115	103 Å²	103	54%	0.537	52%	0.522	S	S	.	.	H	α-helix	trans	-66.1	-37.4	175.6	-80	176.9	-179.6	0	0	111.5	K10 N18	K10-E14 PolarHBondContact O-N 3.49Å; E14-N18 PolarHBondContact O-N 3.42Å
15	I	46	Very low	49.9	Very low	32 Å²	32	100.7 Å²	100.7	16%	0.164	50%	0.501	C	S	.	.	H	α-helix	trans	-76.9	-35.5	178.1	-62.4	167.2	0	0	0	111	A11 N13 Y17 N18 A19 F30 V50 V54	A11-I15 HydrophobicContact CB-CD1 4.29Å; A11-I15 WeakPolarHBondContact O-CB 3.04Å; A11-I15 WeakPolarHBondContact O-CD1 3.17Å; A11-I15 WeakPolarHBondContact O-CG1 3.47Å; A11-I15 PolarHBondContact O-N 3.48Å; N13-I15 VanDerWaalsContact C-N 3.34Å; I15-Y17 VanDerWaalsContact C-N 3.27Å; I15-Y17 PolarHBondContact O-N 3.43Å; I15-N18 CarbonylContact O-C 3.58Å; I15-N18 PolarHBondContact O-N 3.48Å; I15-A19 WeakPolarHBondContact O-CA 3.46Å; I15-A19 WeakPolarHBondContact O-CB 3.12Å; I15-A19 PolarHBondContact O-N 2.84Å; I15-F30 HydrophobicContact CD1-CE2 4.46Å; I15-F30 HydrophobicContact CD1-CZ 4.32Å; I15-F30 HydrophobicContact CG2-CE1 4.39Å; I15-F30 HydrophobicContact CG2-CE2 4.29Å; I15-F30 HydrophobicContact CG2-CZ 3.92Å; I15-V50 HydrophobicContact CD1-CG1 4.06Å; I15-V54 HydrophobicContact CD1-CG2 4.44Å
16	L	47.8	Very low	50.2	Low	93 Å²	93	95 Å²	95	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-63.1	-34.5	173	-104.4	120.5	0	0	0	112.4	K12 N13 N18 A19 L20	K12-L16 HydrophobicContact CD-CD1 4.43Å; K12-L16 HydrophobicContact CG-CD1 3.51Å; K12-L16 WeakPolarHBondContact O-CB 3.25Å; K12-L16 WeakPolarHBondContact O-CD1 3.08Å; K12-L16 PolarHBondContact O-N 3.41Å; N13-L16 PolarHBondContact O-N 2.93Å; L16-N18 VanDerWaalsContact C-N 3.3Å; L16-N18 PolarHBondContact O-N 3.18Å; L16-A19 PolarHBondContact O-N 2.96Å; L16-L20 WeakPolarHBondContact O-CG 3.19Å; L16-L20 PolarHBondContact O-N 2.88Å
17	Y	44.5	Very low	50.5	Low	197 Å²	197	91.5 Å²	91.5	77%	0.773	46%	0.46	S	S	*	.	H	α-helix	trans	-65.6	-35	176.9	-161.4	-97.4	0	0	0	111.9	N13 I15	N13-Y17 PolarHBondContact O-N 2.89Å; N13-Y17 VanDerWaalsContact O-N 3.13Å; I15-Y17 VanDerWaalsContact C-N 3.27Å; I15-Y17 PolarHBondContact O-N 3.43Å
18	N	44.4	Very low	50.8	Low	114 Å²	114	87.5 Å²	87.5	61%	0.61	45%	0.446	S	S	*	.	H	α-helix	trans	-88.1	-23.8	175.3	-69.6	-26.5	0	0	0	113.8	E14 I15 L16 L20 F22	E14-N18 PolarHBondContact O-N 3.42Å; I15-N18 CarbonylContact O-C 3.58Å; I15-N18 PolarHBondContact O-N 3.48Å; L16-N18 VanDerWaalsContact C-N 3.3Å; L16-N18 PolarHBondContact O-N 3.18Å; N18-L20 VanDerWaalsContact C-N 3.34Å; N18-L20 PolarHBondContact O-N 2.86Å; N18-F22 WeakPolarHBondContact O-CD2 3.45Å
19	A	46	Very low	51.3	Low	21 Å²	21	82 Å²	82	17%	0.174	42%	0.419	C	S	.	.	H	α-helix	trans	-80.3	-10	-177.2	0	0	0	0	0	114.2	I15 L16 N21 F22	I15-A19 WeakPolarHBondContact O-CA 3.46Å; I15-A19 WeakPolarHBondContact O-CB 3.12Å; I15-A19 PolarHBondContact O-N 2.84Å; L16-A19 PolarHBondContact O-N 2.96Å; A19-N21 PolarHBondContact O-N 3.29Å; A19-N21 VanDerWaalsContact O-N 3.08Å; A19-F22 PolarHBondContact O-N 3.49Å; A19-F22 VanDerWaalsContact O-N 3.13Å
20	L	43.9	Very low	51.4	Low	141 Å²	141	78.3 Å²	78.3	74%	0.738	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-11.6	177	-81.5	158.3	0	0	0	113.7	L16 N18	L16-L20 WeakPolarHBondContact O-CG 3.19Å; L16-L20 PolarHBondContact O-N 2.88Å; N18-L20 VanDerWaalsContact C-N 3.34Å; N18-L20 PolarHBondContact O-N 2.86Å
21	N	47.5	Very low	51.8	Low	158 Å²	158	80.4 Å²	80.4	85%	0.845	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	5.1	175.9	-73.2	-16.8	0	0	0	114.7	A19	A19-N21 PolarHBondContact O-N 3.29Å; A19-N21 VanDerWaalsContact O-N 3.08Å
22	F	51.6	Low	52.2	Low	76 Å²	76	82 Å²	82	33%	0.333	41%	0.408	S	S	.	.	S	Bend	trans	-102.4	134.8	-174.7	-83.7	-83.4	0	0	0	113.2	N18 A19 V26	N18-F22 WeakPolarHBondContact O-CD2 3.45Å; A19-F22 PolarHBondContact O-N 3.49Å; A19-F22 VanDerWaalsContact O-N 3.13Å; F22-V26 HydrophobicContact CB-CB 4.15Å; F22-V26 HydrophobicContact CB-CG1 4.02Å; F22-V26 HydrophobicContact CD1-CB 4.2Å; F22-V26 HydrophobicContact CD1-CG1 3.76Å; F22-V26 HydrophobicContact CD1-CG2 4.12Å; F22-V26 HydrophobicContact CG-CG1 4.09Å
23	D	57.4	Low	52.4	Low	66 Å²	66	77.1 Å²	77.1	35%	0.353	39%	0.387	S	S	.	.			trans	-58.2	155.1	-175.2	-118.6	-35.2	0	0	0	113.4	I25 V26 L27 N67	D23-I25 PolarHBondContact O-N 2.85Å; D23-V26 PolarHBondContact O-N 3.33Å; D23-L27 PolarHBondContact O-N 3.5Å; D23-N67 PolarHBondContact OD2-ND2 3.41Å; D23-N67 VanDerWaalsContact OD2-ND2 3.08Å; D23-N67 PolarHBondContact OD2-OD1 3.33Å
24	S	56.1	Low	52.6	Low	87 Å²	87	76.7 Å²	76.7	61%	0.608	39%	0.385	S	S	*	.	H	α-helix	trans	-52.4	-28.9	-175	62.8	0	0	0	0	114.3	A28	S24-A28 WeakPolarHBondContact O-CB 3.37Å; S24-A28 PolarHBondContact O-N 3.07Å
25	I	53.3	Low	53	Low	11 Å²	11	80 Å²	80	6%	0.056	39%	0.393	C	S	.	.	H	α-helix	trans	-69	-45.5	177.1	-65.4	156.1	0	0	0	111.5	D23 L27 A28 V29 I64 I75 F88	D23-I25 PolarHBondContact O-N 2.85Å; I25-L27 VanDerWaalsContact C-N 3.32Å; I25-L27 PolarHBondContact O-N 3.13Å; I25-A28 WeakPolarHBondContact O-CB 2.89Å; I25-A28 PolarHBondContact O-N 3.13Å; I25-A28 VanDerWaalsContact O-N 3.12Å; I25-V29 WeakPolarHBondContact O-CG2 3.44Å; I25-V29 PolarHBondContact O-N 3.19Å; I25-I64 HydrophobicContact CG2-CD1 4.22Å; I25-I75 HydrophobicContact CD1-CB 3.94Å; I25-I75 HydrophobicContact CD1-CG2 3.42Å; I25-I75 VanDerWaalsContact CD1-CG2 3.42Å; I25-I75 HydrophobicContact CG1-CG2 4.39Å; I25-F88 HydrophobicContact CG2-CD1 4.11Å; I25-F88 HydrophobicContact CG2-CE1 3.46Å; I25-F88 VanDerWaalsContact CG2-CE1 3.46Å; I25-F88 HydrophobicContact CG2-CZ 4.27Å
26	V	56.8	Low	53.4	Low	8 Å²	8	81.1 Å²	81.1	5%	0.048	40%	0.397	C	S	.	.	H	α-helix	trans	-65	-41.5	179.8	178.5	0	0	0	0	109.9	F22 D23 A28 V29 F30 L57	F22-V26 HydrophobicContact CB-CB 4.15Å; F22-V26 HydrophobicContact CB-CG1 4.02Å; F22-V26 HydrophobicContact CD1-CB 4.2Å; F22-V26 HydrophobicContact CD1-CG1 3.76Å; F22-V26 HydrophobicContact CD1-CG2 4.12Å; F22-V26 HydrophobicContact CG-CG1 4.09Å; D23-V26 PolarHBondContact O-N 3.33Å; V26-A28 PolarHBondContact O-N 3.2Å; V26-V29 PolarHBondContact O-N 3.01Å; V26-F30 VanDerWaalsContact O-CB 3.3Å; V26-F30 WeakPolarHBondContact O-CB 3.19Å; V26-F30 PolarHBondContact O-N 3.34Å; V26-L57 HydrophobicContact CG1-CB 4.08Å; V26-L57 HydrophobicContact CG1-CD2 3.49Å; V26-L57 VanDerWaalsContact CG1-CD2 3.49Å; V26-L57 HydrophobicContact CG1-CG 4.28Å
27	L	58.6	Low	53.6	Low	61 Å²	61	79.9 Å²	79.9	32%	0.319	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-39.3	171.6	-85.1	159.9	0	0	0	112.8	D23 I25 F30 R31	D23-L27 PolarHBondContact O-N 3.5Å; I25-L27 VanDerWaalsContact C-N 3.32Å; I25-L27 PolarHBondContact O-N 3.13Å; L27-F30 PolarHBondContact O-N 3.03Å; L27-R31 WeakPolarHBondContact O-CB 3.35Å; L27-R31 VanDerWaalsContact O-CG 3.27Å; L27-R31 WeakPolarHBondContact O-CG 3.37Å; L27-R31 PolarHBondContact O-N 3.38Å
28	A	57.7	Low	54	Low	40 Å²	40	73.5 Å²	73.5	33%	0.331	38%	0.378	S	S	.	.	H	α-helix	trans	-67	-45.2	177	0	0	0	0	0	111.9	S24 I25 V26 F30 R31 F32	S24-A28 WeakPolarHBondContact O-CB 3.37Å; S24-A28 PolarHBondContact O-N 3.07Å; I25-A28 WeakPolarHBondContact O-CB 2.89Å; I25-A28 PolarHBondContact O-N 3.13Å; I25-A28 VanDerWaalsContact O-N 3.12Å; V26-A28 PolarHBondContact O-N 3.2Å; A28-F30 VanDerWaalsContact C-N 3.33Å; A28-F30 PolarHBondContact O-N 3.33Å; A28-R31 PolarHBondContact O-N 3.3Å; A28-F32 WeakPolarHBondContact O-CB 3.49Å; A28-F32 PolarHBondContact O-N 2.91Å
29	V	57.4	Low	54.4	Low	14 Å²	14	74.3 Å²	74.3	9%	0.085	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-43.4	174.7	174.2	0	0	0	0	110.4	I25 V26 F32 H33 L60 L86	I25-V29 WeakPolarHBondContact O-CG2 3.44Å; I25-V29 PolarHBondContact O-N 3.19Å; V26-V29 PolarHBondContact O-N 3.01Å; V29-F32 PolarHBondContact O-N 2.99Å; V29-H33 WeakPolarHBondContact O-CB 3.3Å; V29-H33 PolarHBondContact O-N 3.21Å; V29-L60 HydrophobicContact CB-CD1 4.38Å; V29-L60 HydrophobicContact CG1-CD1 3.9Å; V29-L60 HydrophobicContact CG2-CD1 4.36Å; V29-L86 HydrophobicContact CG1-CD1 4.41Å; V29-L86 HydrophobicContact CG1-CD2 4.3Å; V29-L86 HydrophobicContact CG2-CD2 4.43Å
30	F	58	Low	54.5	Low	34 Å²	34	78 Å²	78	15%	0.149	40%	0.396	C	S	.	.	H	α-helix	trans	-62.7	-48.6	176.1	-177.2	-111.6	0	0	0	112.6	I15 V26 L27 A28 F32 H33 L34 T53 L57	I15-F30 HydrophobicContact CD1-CE2 4.46Å; I15-F30 HydrophobicContact CD1-CZ 4.32Å; I15-F30 HydrophobicContact CG2-CE1 4.39Å; I15-F30 HydrophobicContact CG2-CE2 4.29Å; I15-F30 HydrophobicContact CG2-CZ 3.92Å; V26-F30 VanDerWaalsContact O-CB 3.3Å; V26-F30 WeakPolarHBondContact O-CB 3.19Å; V26-F30 PolarHBondContact O-N 3.34Å; L27-F30 PolarHBondContact O-N 3.03Å; A28-F30 VanDerWaalsContact C-N 3.33Å; A28-F30 PolarHBondContact O-N 3.33Å; F30-F32 VanDerWaalsContact C-N 3.28Å; F30-F32 PolarHBondContact O-N 3.03Å; F30-H33 PolarHBondContact O-N 2.98Å; F30-L34 HydrophobicContact CD1-CD1 3.87Å; F30-L34 HydrophobicContact CD1-CG 4.46Å; F30-L34 HydrophobicContact CE1-CD1 3.36Å; F30-L34 HydrophobicContact CE1-CG 4.15Å; F30-L34 HydrophobicContact CE2-CD1 4.33Å; F30-L34 HydrophobicContact CE2-CD2 4.49Å; F30-L34 HydrophobicContact CE2-CG 4.29Å; F30-L34 HydrophobicContact CZ-CD1 3.64Å; F30-L34 HydrophobicContact CZ-CD2 4.31Å; F30-L34 HydrophobicContact CZ-CG 4.07Å; F30-L34 WeakPolarHBondContact O-CG 3.49Å; F30-L34 PolarHBondContact O-N 3Å; F30-T53 HydrophobicContact CD2-CG2 4.2Å; F30-T53 HydrophobicContact CE2-CG2 4.3Å; F30-L57 HydrophobicContact CB-CD2 4.06Å; F30-L57 HydrophobicContact CD2-CD1 3.77Å; F30-L57 HydrophobicContact CE2-CD1 4.35Å; F30-L57 HydrophobicContact CG-CD1 4.44Å
31	R	60.3	Low	54.6	Low	176 Å²	176	82.7 Å²	82.7	66%	0.664	40%	0.404	S	S	*	.	H	α-helix	trans	-60.6	-38.8	177.1	-77.4	176.7	-178.8	-175	2.4	111.9	L27 A28 R35	L27-R31 WeakPolarHBondContact O-CB 3.35Å; L27-R31 VanDerWaalsContact O-CG 3.27Å; L27-R31 WeakPolarHBondContact O-CG 3.37Å; L27-R31 PolarHBondContact O-N 3.38Å; A28-R31 PolarHBondContact O-N 3.3Å; R31-R35 PolarHBondContact O-N 3.18Å; R31-R35 VanDerWaalsContact O-N 3.08Å
32	F	56.8	Low	54.2	Low	57 Å²	57	80.5 Å²	80.5	25%	0.25	40%	0.4	C	S	.	.	H	α-helix	trans	-65.6	-48.1	174.9	178.1	-97.3	0	0	0	111.4	A28 V29 F30 L34 R35 E36 S81	A28-F32 WeakPolarHBondContact O-CB 3.49Å; A28-F32 PolarHBondContact O-N 2.91Å; V29-F32 PolarHBondContact O-N 2.99Å; F30-F32 VanDerWaalsContact C-N 3.28Å; F30-F32 PolarHBondContact O-N 3.03Å; F32-L34 VanDerWaalsContact C-N 3.31Å; F32-L34 PolarHBondContact O-N 3.3Å; F32-R35 WeakPolarHBondContact O-CA 3.35Å; F32-R35 WeakPolarHBondContact O-CB 3.45Å; F32-R35 PolarHBondContact O-N 2.91Å; F32-E36 HydrophobicContact CD1-CG 4.12Å; F32-E36 HydrophobicContact CE1-CG 3.44Å; F32-E36 VanDerWaalsContact CE1-CG 3.44Å; F32-E36 HydrophobicContact CE2-CG 4.04Å; F32-E36 HydrophobicContact CZ-CG 3.38Å; F32-E36 PolarHBondContact O-N 3.44Å; F32-S81 VanDerWaalsContact CD1-OG 3.27Å; F32-S81 WeakPolarHBondContact CD1-OG 3.4Å; F32-S81 WeakPolarHBondContact CD2-OG 3.45Å; F32-S81 WeakPolarHBondContact CE1-O 3.34Å; F32-S81 WeakPolarHBondContact CE1-OG 3.46Å; F32-S81 WeakPolarHBondContact CE2-OG 3.42Å; F32-S81 WeakPolarHBondContact CG-OG 3.21Å; F32-S81 WeakPolarHBondContact CZ-O 3.41Å; F32-S81 WeakPolarHBondContact CZ-OG 3.05Å
33	H	54.1	Low	53.7	Low	26 Å²	26	81.5 Å²	81.5	12%	0.12	41%	0.413	C	S	.	.	H	α-helix	trans	-60.5	-41.4	179.2	-165.6	66	0	0	0	111.9	V29 F30 R35 E36 L37 T53	V29-H33 WeakPolarHBondContact O-CB 3.3Å; V29-H33 PolarHBondContact O-N 3.21Å; F30-H33 PolarHBondContact O-N 2.98Å; H33-R35 VanDerWaalsContact C-N 3.32Å; H33-R35 PolarHBondContact O-N 3.38Å; H33-E36 PolarHBondContact O-N 3.01Å; H33-L37 WeakPolarHBondContact O-CB 3.3Å; H33-L37 VanDerWaalsContact O-CG 3.31Å; H33-L37 WeakPolarHBondContact O-CG 3.31Å; H33-L37 PolarHBondContact O-N 3.16Å; H33-T53 PolarHBondContact NE2-OG1 2.85Å
34	L	58.6	Low	52.5	Low	83 Å²	83	84.8 Å²	84.8	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-36.9	172.4	-73.3	-179.1	0	0	0	113	F30 F32 A38	F30-L34 HydrophobicContact CD1-CD1 3.87Å; F30-L34 HydrophobicContact CD1-CG 4.46Å; F30-L34 HydrophobicContact CE1-CD1 3.36Å; F30-L34 HydrophobicContact CE1-CG 4.15Å; F30-L34 HydrophobicContact CE2-CD1 4.33Å; F30-L34 HydrophobicContact CE2-CD2 4.49Å; F30-L34 HydrophobicContact CE2-CG 4.29Å; F30-L34 HydrophobicContact CZ-CD1 3.64Å; F30-L34 HydrophobicContact CZ-CD2 4.31Å; F30-L34 HydrophobicContact CZ-CG 4.07Å; F30-L34 WeakPolarHBondContact O-CG 3.49Å; F30-L34 PolarHBondContact O-N 3Å; F32-L34 VanDerWaalsContact C-N 3.31Å; F32-L34 PolarHBondContact O-N 3.3Å; L34-A38 WeakPolarHBondContact O-CB 3.37Å; L34-A38 PolarHBondContact O-N 3.38Å; L34-A38 VanDerWaalsContact O-N 3.07Å
35	R	56	Low	51.3	Low	186 Å²	186	86.8 Å²	86.8	70%	0.702	44%	0.444	S	S	*	.	H	α-helix	trans	-66.8	-44.2	174.5	-83.9	-177.1	174.7	-179.5	-1	111.9	R31 F32 H33 A38 L39	R31-R35 PolarHBondContact O-N 3.18Å; R31-R35 VanDerWaalsContact O-N 3.08Å; F32-R35 WeakPolarHBondContact O-CA 3.35Å; F32-R35 WeakPolarHBondContact O-CB 3.45Å; F32-R35 PolarHBondContact O-N 2.91Å; H33-R35 VanDerWaalsContact C-N 3.32Å; H33-R35 PolarHBondContact O-N 3.38Å; R35-A38 WeakPolarHBondContact O-CB 3.27Å; R35-A38 PolarHBondContact O-N 3.09Å; R35-A38 VanDerWaalsContact O-N 3.14Å; R35-L39 WeakPolarHBondContact O-CG 3.42Å; R35-L39 PolarHBondContact O-N 3.38Å
36	E	55.4	Low	50.7	Low	55 Å²	55	93.6 Å²	93.6	26%	0.257	48%	0.475	S	S	.	.	H	α-helix	trans	-62.6	-45.5	176.8	-74.7	-61.8	116	0	0	111.7	F32 H33 A38 L39 Q40	F32-E36 HydrophobicContact CD1-CG 4.12Å; F32-E36 HydrophobicContact CE1-CG 3.44Å; F32-E36 VanDerWaalsContact CE1-CG 3.44Å; F32-E36 HydrophobicContact CE2-CG 4.04Å; F32-E36 HydrophobicContact CZ-CG 3.38Å; F32-E36 PolarHBondContact O-N 3.44Å; H33-E36 PolarHBondContact O-N 3.01Å; E36-A38 PolarHBondContact O-N 3.34Å; E36-L39 PolarHBondContact O-N 3.13Å; E36-Q40 WeakPolarHBondContact O-CG 3.45Å; E36-Q40 PolarHBondContact O-N 3.43Å
37	L	52	Low	50.1	Low	67 Å²	67	99.6 Å²	99.6	35%	0.351	51%	0.512	S	S	.	.	H	α-helix	trans	-57.7	-34.9	173.5	-73.1	171.4	0	0	0	112	H33	H33-L37 WeakPolarHBondContact O-CB 3.3Å; H33-L37 VanDerWaalsContact O-CG 3.31Å; H33-L37 WeakPolarHBondContact O-CG 3.31Å; H33-L37 PolarHBondContact O-N 3.16Å
38	A	52	Low	49.6	Very low	62 Å²	62	98 Å²	98	51%	0.512	50%	0.503	S	S	.	.	H	α-helix	trans	-74.4	-29.3	176.5	0	0	0	0	0	113.5	L34 R35 E36	L34-A38 WeakPolarHBondContact O-CB 3.37Å; L34-A38 PolarHBondContact O-N 3.38Å; L34-A38 VanDerWaalsContact O-N 3.07Å; R35-A38 WeakPolarHBondContact O-CB 3.27Å; R35-A38 PolarHBondContact O-N 3.09Å; R35-A38 VanDerWaalsContact O-N 3.14Å; E36-A38 PolarHBondContact O-N 3.34Å
39	L	52.5	Low	49.4	Very low	131 Å²	131	98.6 Å²	98.6	69%	0.686	51%	0.505	S	S	*	.	H	α-helix	trans	-82.1	-30.2	-179.4	-74	165.8	0	0	0	113	R35 E36 R41	R35-L39 WeakPolarHBondContact O-CG 3.42Å; R35-L39 PolarHBondContact O-N 3.38Å; E36-L39 PolarHBondContact O-N 3.13Å; L39-R41 PolarHBondContact O-N 3.08Å
40	Q	49.4	Very low	49.2	Very low	100 Å²	100	101.7 Å²	101.7	47%	0.467	52%	0.523	S	S	.	.			trans	-78.6	38.6	-175.4	-69.8	-176.6	-4.7	0	0	115.1	E36 S42	E36-Q40 WeakPolarHBondContact O-CG 3.45Å; E36-Q40 PolarHBondContact O-N 3.43Å; Q40-S42 PolarHBondContact O-N 3.1Å
41	R	45.2	Very low	48.9	Very low	239 Å²	239	105.3 Å²	105.3	90%	0.902	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	1	-177.9	-81.5	-173.9	171.2	-173.7	-2	116.2	L39	L39-R41 PolarHBondContact O-N 3.08Å
42	S	40.3	Very low	48.8	Very low	111 Å²	111	101.8 Å²	101.8	78%	0.776	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	24	-174.8	62.9	0	0	0	0	116.8	Q40	Q40-S42 PolarHBondContact O-N 3.1Å
43	V	40.4	Very low	48.8	Very low	98 Å²	98	99.8 Å²	99.8	59%	0.594	53%	0.526	S	S	*	.			trans	-125	100	170.7	-172.7	0	0	0	0	110.7	T45	V43-T45 PolarHBondContact O-N 2.95Å; V43-T45 VanDerWaalsContact O-N 3.12Å
44	T	31.9	Very low	48.9	Very low	135 Å²	135	100.9 Å²	100.9	83%	0.828	54%	0.535	S	S	*	.			trans	-64.8	103	161.3	44.7	0	0	0	0	108.5
45	T	31.6	Very low	48.8	Very low	128 Å²	128	100.3 Å²	100.3	79%	0.785	53%	0.532	S	S	*	.	S	Bend	trans	174.4	121.5	130	-52.1	0	0	0	0	107.3	V43	V43-T45 PolarHBondContact O-N 2.95Å; V43-T45 VanDerWaalsContact O-N 3.12Å
46	E	39.2	Very low	49	Very low	154 Å²	154	93.1 Å²	93.1	72%	0.72	51%	0.505	S	S	*	.			trans	73.6	68.2	-175.5	-60.5	-162.4	148.5	0	0	117.8	M48	E46-M48 PolarHBondContact O-N 2.71Å; E46-M48 VanDerWaalsContact O-N 3.09Å
47	V	43.9	Very low	49.1	Very low	135 Å²	135	91.4 Å²	91.4	82%	0.818	50%	0.497	S	S	*	.			trans	-62.9	109.1	147.6	179.7	0	0	0	0	106.5	S49	V47-S49 PolarHBondContact O-N 3.21Å
48	M	49.6	Very low	49.4	Very low	28 Å²	28	91.3 Å²	91.3	14%	0.138	50%	0.497	C	S	.	.			trans	-59.4	130.1	171.6	-76	177.4	40.2	0	0	109.4	E46 K52 R56	E46-M48 PolarHBondContact O-N 2.71Å; E46-M48 VanDerWaalsContact O-N 3.09Å; M48-K52 HydrophobicContact CE-CB 4.07Å; M48-R56 PolarHBondContact SD-NH1 3.46Å
49	S	52.9	Low	49.9	Very low	51 Å²	51	88.9 Å²	88.9	36%	0.357	48%	0.475	S	S	.	.			trans	-60.4	149.6	170.4	61.7	0	0	0	0	109.8	V47 D51 K52 T53	V47-S49 PolarHBondContact O-N 3.21Å; S49-D51 PolarHBondContact O-N 2.93Å; S49-K52 PolarHBondContact O-N 2.96Å; S49-K52 VanDerWaalsContact O-N 3.09Å; S49-T53 PolarHBondContact O-N 3.19Å
50	V	54.4	Low	50.4	Low	79 Å²	79	82.8 Å²	82.8	48%	0.479	44%	0.443	S	S	.	.	H	α-helix	trans	-52.6	-37.3	175.1	176.5	0	0	0	0	110.5	I15 K52 T53 V54	I15-V50 HydrophobicContact CD1-CG1 4.06Å; V50-K52 PolarHBondContact O-N 3.1Å; V50-T53 WeakPolarHBondContact O-CA 3.39Å; V50-T53 VanDerWaalsContact O-CB 3.31Å; V50-T53 WeakPolarHBondContact O-CB 3.44Å; V50-T53 PolarHBondContact O-N 3.32Å; V50-V54 HydrophobicContact CG1-CG2 4.38Å; V50-V54 WeakPolarHBondContact O-CG2 3.42Å; V50-V54 PolarHBondContact O-N 2.79Å
51	D	50.1	Low	50.9	Low	111 Å²	111	79.3 Å²	79.3	59%	0.594	44%	0.435	S	S	*	.	H	α-helix	trans	-57.4	-47.4	177.6	-50.9	-40.4	0	0	0	112.4	S49 T53 V54 D55	S49-D51 PolarHBondContact O-N 2.93Å; D51-T53 PolarHBondContact O-N 2.83Å; D51-V54 PolarHBondContact O-N 3.45Å; D51-D55 PolarHBondContact O-N 3.09Å
52	K	58.7	Low	51.6	Low	102 Å²	102	74.8 Å²	74.8	44%	0.443	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-31.3	176.8	-72.8	-176.5	179.3	-177.3	0	112.2	M48 S49 V50 R56	M48-K52 HydrophobicContact CE-CB 4.07Å; S49-K52 PolarHBondContact O-N 2.96Å; S49-K52 VanDerWaalsContact O-N 3.09Å; V50-K52 PolarHBondContact O-N 3.1Å; K52-R56 WeakPolarHBondContact O-CG 3.42Å; K52-R56 PolarHBondContact O-N 3.12Å
53	T	56.5	Low	52.7	Low	15 Å²	15	69.6 Å²	69.6	9%	0.092	38%	0.381	C	S	.	.	H	α-helix	trans	-70.9	-43.4	175.4	-56.7	0	0	0	0	110.5	F30 H33 S49 V50 D51 R56 L57	F30-T53 HydrophobicContact CD2-CG2 4.2Å; F30-T53 HydrophobicContact CE2-CG2 4.3Å; H33-T53 PolarHBondContact NE2-OG1 2.85Å; S49-T53 PolarHBondContact O-N 3.19Å; V50-T53 WeakPolarHBondContact O-CA 3.39Å; V50-T53 VanDerWaalsContact O-CB 3.31Å; V50-T53 WeakPolarHBondContact O-CB 3.44Å; V50-T53 PolarHBondContact O-N 3.32Å; D51-T53 PolarHBondContact O-N 2.83Å; T53-R56 PolarHBondContact O-N 3Å; T53-L57 WeakPolarHBondContact O-CG 3.27Å; T53-L57 PolarHBondContact O-N 3.12Å; T53-L57 VanDerWaalsContact O-N 3.16Å
54	V	55.8	Low	53.7	Low	49 Å²	49	65.7 Å²	65.7	30%	0.297	36%	0.356	S	S	.	.	H	α-helix	trans	-63.2	-46.8	177.7	174.8	0	0	0	0	111.1	I15 V50 D51 R56 L57 I58	I15-V54 HydrophobicContact CD1-CG2 4.44Å; V50-V54 HydrophobicContact CG1-CG2 4.38Å; V50-V54 WeakPolarHBondContact O-CG2 3.42Å; V50-V54 PolarHBondContact O-N 2.79Å; D51-V54 PolarHBondContact O-N 3.45Å; V54-R56 VanDerWaalsContact C-N 3.27Å; V54-R56 PolarHBondContact O-N 2.69Å; V54-L57 WeakPolarHBondContact O-CB 3.36Å; V54-L57 PolarHBondContact O-N 2.88Å; V54-I58 HydrophobicContact CG1-CD1 4.03Å; V54-I58 WeakPolarHBondContact O-CG1 3.49Å; V54-I58 PolarHBondContact O-N 3.5Å
55	D	57.8	Low	54.9	Low	70 Å²	70	64.8 Å²	64.8	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-56.9	-42.6	177.5	-68.5	-26.7	0	0	0	111.5	D51 L57 I58 D59	D51-D55 PolarHBondContact O-N 3.09Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 3.48Å; D55-I58 WeakPolarHBondContact O-CB 3.39Å; D55-I58 PolarHBondContact O-N 3.44Å; D55-D59 PolarHBondContact O-N 3.49Å
56	R	58.8	Low	56.3	Low	35 Å²	35	61.4 Å²	61.4	13%	0.132	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-36	175.6	-74.6	179.2	-174.1	178.6	9	113.3	M48 K52 T53 V54 L60 Y84 L105	M48-R56 PolarHBondContact SD-NH1 3.46Å; K52-R56 WeakPolarHBondContact O-CG 3.42Å; K52-R56 PolarHBondContact O-N 3.12Å; T53-R56 PolarHBondContact O-N 3Å; V54-R56 VanDerWaalsContact C-N 3.27Å; V54-R56 PolarHBondContact O-N 2.69Å; R56-L60 WeakPolarHBondContact O-CG 3.28Å; R56-L60 PolarHBondContact O-N 3.08Å; R56-Y84 PolarHBondContact NH1-OH 2.88Å; R56-L105 HydrophobicContact CB-CD1 3.67Å; R56-L105 HydrophobicContact CG-CD1 3.57Å
57	L	58.4	Low	57.6	Low	19 Å²	19	56 Å²	56	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-70.7	-38	176.6	-63.3	167.8	0	0	0	111	V26 F30 T53 V54 D55 L60 G61	V26-L57 HydrophobicContact CG1-CB 4.08Å; V26-L57 HydrophobicContact CG1-CD2 3.49Å; V26-L57 VanDerWaalsContact CG1-CD2 3.49Å; V26-L57 HydrophobicContact CG1-CG 4.28Å; F30-L57 HydrophobicContact CB-CD2 4.06Å; F30-L57 HydrophobicContact CD2-CD1 3.77Å; F30-L57 HydrophobicContact CE2-CD1 4.35Å; F30-L57 HydrophobicContact CG-CD1 4.44Å; T53-L57 WeakPolarHBondContact O-CG 3.27Å; T53-L57 PolarHBondContact O-N 3.12Å; T53-L57 VanDerWaalsContact O-N 3.16Å; V54-L57 WeakPolarHBondContact O-CB 3.36Å; V54-L57 PolarHBondContact O-N 2.88Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 3.48Å; L57-L60 PolarHBondContact O-N 3.26Å; L57-G61 PolarHBondContact O-N 2.92Å
58	I	58.1	Low	59.2	Low	66 Å²	66	51.9 Å²	51.9	34%	0.338	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-46.9	174.4	-66.7	169.2	0	0	0	109.9	V54 D55 G61 R62	V54-I58 HydrophobicContact CG1-CD1 4.03Å; V54-I58 WeakPolarHBondContact O-CG1 3.49Å; V54-I58 PolarHBondContact O-N 3.5Å; D55-I58 WeakPolarHBondContact O-CB 3.39Å; D55-I58 PolarHBondContact O-N 3.44Å; I58-G61 PolarHBondContact O-N 2.95Å; I58-R62 WeakPolarHBondContact O-CG 3.45Å; I58-R62 PolarHBondContact O-N 3.07Å
59	D	62.4	Low	60.6	Low	11 Å²	11	50.6 Å²	50.6	6%	0.059	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-46.5	177.4	-72.6	-23.8	0	0	0	111.3	D55 G61 R62 L63 L105 P106 H107 I141	D55-D59 PolarHBondContact O-N 3.49Å; D59-G61 VanDerWaalsContact C-N 3.29Å; D59-G61 PolarHBondContact O-N 3.48Å; D59-R62 WeakPolarHBondContact O-CA 3.31Å; D59-R62 WeakPolarHBondContact O-CB 3.39Å; D59-R62 PolarHBondContact O-N 2.93Å; D59-R62 IonicContact OD1-NH1 3.18Å; D59-R62 PolarHBondContact OD1-NH1 3.43Å; D59-L63 PolarHBondContact O-N 2.91Å; D59-L63 VanDerWaalsContact O-N 3.07Å; D59-L105 HydrophobicContact CB-CD2 4.2Å; D59-P106 WeakPolarHBondContact OD2-CD 3.48Å; D59-H107 IonicContact OD2-CD2 3.74Å; D59-H107 IonicContact OD2-NE2 3.91Å; D59-I141 VanDerWaalsContact C-CD1 3.48Å; D59-I141 HydrophobicContact CB-CD1 3.87Å; D59-I141 WeakPolarHBondContact O-CD1 3.17Å
60	L	63.7	Low	61.8	Low	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-40.2	174.2	-77.9	166.9	0	0	0	112.6	V29 R56 L57 R62 L63 I64 L86 F88 L105	V29-L60 HydrophobicContact CB-CD1 4.38Å; V29-L60 HydrophobicContact CG1-CD1 3.9Å; V29-L60 HydrophobicContact CG2-CD1 4.36Å; R56-L60 WeakPolarHBondContact O-CG 3.28Å; R56-L60 PolarHBondContact O-N 3.08Å; L57-L60 PolarHBondContact O-N 3.26Å; L60-R62 PolarHBondContact O-N 3.32Å; L60-L63 PolarHBondContact O-N 3.36Å; L60-I64 VanDerWaalsContact O-CG1 3.27Å; L60-I64 WeakPolarHBondContact O-CG1 3.47Å; L60-I64 PolarHBondContact O-N 3.38Å; L60-L86 HydrophobicContact CD1-CD1 3.74Å; L60-L86 HydrophobicContact CD2-CD1 3.73Å; L60-L86 HydrophobicContact CG-CD1 4.23Å; L60-F88 HydrophobicContact CD2-CZ 4.4Å; L60-L105 HydrophobicContact CD2-CD2 4.05Å; L60-L105 HydrophobicContact CG-CD1 4.5Å; L60-L105 HydrophobicContact CG-CD2 3.96Å
61	G	58.7	Low	63.1	Low	28 Å²	28	49.1 Å²	49.1	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-31.3	173.9	0	0	0	0	0	113.3	L57 I58 D59	L57-G61 PolarHBondContact O-N 2.92Å; I58-G61 PolarHBondContact O-N 2.95Å; D59-G61 VanDerWaalsContact C-N 3.29Å; D59-G61 PolarHBondContact O-N 3.48Å
62	R	60.2	Low	64.8	Low	144 Å²	144	45.3 Å²	45.3	54%	0.543	26%	0.262	S	S	.	.	H	α-helix	trans	-75.9	-28.5	175.1	-68.5	171.2	174.4	162.8	-4.7	113.7	I58 D59 L60 I64	I58-R62 WeakPolarHBondContact O-CG 3.45Å; I58-R62 PolarHBondContact O-N 3.07Å; D59-R62 WeakPolarHBondContact O-CA 3.31Å; D59-R62 WeakPolarHBondContact O-CB 3.39Å; D59-R62 PolarHBondContact O-N 2.93Å; D59-R62 IonicContact OD1-NH1 3.18Å; D59-R62 PolarHBondContact OD1-NH1 3.43Å; L60-R62 PolarHBondContact O-N 3.32Å; R62-I64 VanDerWaalsContact C-N 3.27Å
63	L	63	Low	66.2	Low	1 Å²	1	40.4 Å²	40.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-70.9	-29.1	176.6	-175.7	65.7	0	0	0	111.6	D59 L60 V69 V103 Y138 I141	D59-L63 PolarHBondContact O-N 2.91Å; D59-L63 VanDerWaalsContact O-N 3.07Å; L60-L63 PolarHBondContact O-N 3.36Å; L63-V69 HydrophobicContact CD1-CG1 3.63Å; L63-V69 HydrophobicContact CD1-CG2 4.49Å; L63-V69 HydrophobicContact CD2-CG2 4.44Å; L63-V69 HydrophobicContact CG-CG1 4.08Å; L63-V69 HydrophobicContact CG-CG2 4.01Å; L63-V103 HydrophobicContact CD2-CB 4.2Å; L63-V103 HydrophobicContact CD2-CG1 3.43Å; L63-V103 VanDerWaalsContact CD2-CG1 3.43Å; L63-V103 HydrophobicContact CD2-CG2 3.65Å; L63-Y138 HydrophobicContact CD1-CD1 4.26Å; L63-I141 HydrophobicContact CB-CD1 3.88Å; L63-I141 HydrophobicContact CD1-CB 4.13Å; L63-I141 HydrophobicContact CD1-CG2 4.05Å; L63-I141 HydrophobicContact CD2-CG2 4.05Å; L63-I141 HydrophobicContact CG-CG2 4.46Å
64	I	61.4	Low	67.6	Low	16 Å²	16	43.6 Å²	43.6	8%	0.082	26%	0.255	C	S	.	.			trans	-109.5	92.7	-167.4	-55.2	-179.8	0	0	0	109.1	I25 L60 R62 N67 I75	I25-I64 HydrophobicContact CG2-CD1 4.22Å; L60-I64 VanDerWaalsContact O-CG1 3.27Å; L60-I64 WeakPolarHBondContact O-CG1 3.47Å; L60-I64 PolarHBondContact O-N 3.38Å; R62-I64 VanDerWaalsContact C-N 3.27Å; I64-N67 VanDerWaalsContact CG2-CA 3.42Å; I64-N67 HydrophobicContact CG2-CB 4.48Å; I64-I75 HydrophobicContact CB-CD1 4.41Å; I64-I75 HydrophobicContact CD1-CD1 3.53Å; I64-I75 HydrophobicContact CG1-CD1 3.48Å; I64-I75 VanDerWaalsContact CG1-CD1 3.48Å; I64-I75 HydrophobicContact CG2-CD1 4.16Å
65	D	58.3	Low	68.7	Low	117 Å²	117	41.8 Å²	41.8	63%	0.626	24%	0.244	S	C	*	.	B	Isolated β-bridge	trans	-88.6	105.6	169.1	-174.4	18	0	0	0	109.5	N67 I68	D65-N67 PolarHBondContact O-N 3.37Å; D65-N67 VanDerWaalsContact O-N 3.09Å; D65-I68 PolarHBondContact N-O 2.88Å; D65-I68 PolarHBondContact O-N 2.98Å
66	G	59.7	Low	69.4	Low	56 Å²	56	39.8 Å²	39.8	58%	0.577	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	29	179.7	0	0	0	0	0	114.7
67	N	67.9	Low	69.9	Low	40 Å²	40	45.9 Å²	45.9	21%	0.214	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	12.8	-171.3	-58.7	-74.1	0	0	0	116.5	D23 I64 D65 Q74 I75	D23-N67 PolarHBondContact OD2-ND2 3.41Å; D23-N67 VanDerWaalsContact OD2-ND2 3.08Å; D23-N67 PolarHBondContact OD2-OD1 3.33Å; I64-N67 VanDerWaalsContact CG2-CA 3.42Å; I64-N67 HydrophobicContact CG2-CB 4.48Å; D65-N67 PolarHBondContact O-N 3.37Å; D65-N67 VanDerWaalsContact O-N 3.09Å; N67-Q74 CarbonylContact O-C 3.47Å; N67-Q74 WeakPolarHBondContact O-CA 3.34Å; N67-I75 PolarHBondContact O-N 3.39Å
68	I	77.8	Confident	70.2	Confident	50 Å²	50	47.6 Å²	47.6	26%	0.256	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.5	179.1	-55.4	177.2	0	0	0	110.3	D65 F73 Q74	D65-I68 PolarHBondContact N-O 2.88Å; D65-I68 PolarHBondContact O-N 2.98Å; I68-F73 WeakPolarHBondContact CA-O 3.18Å; I68-Q74 HydrophobicContact CG1-CB 4.48Å
69	V	79.1	Confident	70.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.3	172.9	-178.6	0	0	0	0	109.5	L63 G71 R72 F73 I75 M101 Y143	L63-V69 HydrophobicContact CD1-CG1 3.63Å; L63-V69 HydrophobicContact CD1-CG2 4.49Å; L63-V69 HydrophobicContact CD2-CG2 4.44Å; L63-V69 HydrophobicContact CG-CG1 4.08Å; L63-V69 HydrophobicContact CG-CG2 4.01Å; V69-G71 PolarHBondContact O-N 3Å; V69-G71 VanDerWaalsContact O-N 3.1Å; V69-R72 PolarHBondContact O-N 2.9Å; V69-R72 VanDerWaalsContact O-N 3.09Å; V69-F73 HydrophobicContact CB-CB 4.37Å; V69-F73 PolarHBondContact N-O 3.06Å; V69-F73 PolarHBondContact O-N 2.78Å; V69-I75 HydrophobicContact CG2-CD1 3.59Å; V69-I75 HydrophobicContact CG2-CG1 3.76Å; V69-M101 HydrophobicContact CB-CE 3.9Å; V69-M101 HydrophobicContact CB-SD 4.12Å; V69-M101 HydrophobicContact CG1-CE 3.88Å; V69-M101 HydrophobicContact CG1-SD 4.04Å; V69-M101 HydrophobicContact CG2-CE 4.28Å; V69-M101 HydrophobicContact CG2-SD 3.89Å; V69-Y143 HydrophobicContact CG1-CD1 4.07Å; V69-Y143 HydrophobicContact CG1-CE1 4.34Å; V69-Y143 HydrophobicContact CG1-CG 4.33Å
70	A	77.7	Confident	70.5	Confident	35 Å²	35	52.8 Å²	52.8	29%	0.289	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	30.2	177.8	0	0	0	0	0	114.2	R72 Y138 Y143	A70-R72 PolarHBondContact O-N 3.35Å; A70-R72 VanDerWaalsContact O-N 3.12Å; A70-Y138 HydrophobicContact CB-CD2 4.18Å; A70-Y138 HydrophobicContact CB-CG 4.47Å; A70-Y143 HydrophobicContact CB-CE1 3.97Å
71	G	80.3	Confident	69.8	Low	65 Å²	65	53.6 Å²	53.6	67%	0.67	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	-0.3	-178.6	0	0	0	0	0	115.7	V69	V69-G71 PolarHBondContact O-N 3Å; V69-G71 VanDerWaalsContact O-N 3.1Å
72	R	86.6	Confident	69.4	Low	30 Å²	30	53.3 Å²	53.3	11%	0.113	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-45.4	-170.7	177.5	175.2	172.6	-164.6	-9.3	114.5	V69 A70 Q74 D92 N93 E94 Q95 E134	V69-R72 PolarHBondContact O-N 2.9Å; V69-R72 VanDerWaalsContact O-N 3.09Å; A70-R72 PolarHBondContact O-N 3.35Å; A70-R72 VanDerWaalsContact O-N 3.12Å; R72-Q74 PolarHBondContact O-N 2.84Å; R72-D92 WeakPolarHBondContact CG-OD1 3.38Å; R72-D92 IonicContact CZ-OD1 3.78Å; R72-D92 IonicContact CZ-OD2 3.73Å; R72-D92 IonicContact NE-OD1 3.78Å; R72-D92 PolarHBondContact NE-OD1 3Å; R72-D92 IonicContact NE-OD2 2.69Å; R72-D92 PolarHBondContact NE-OD2 3.5Å; R72-D92 IonicContact NH2-OD1 3.76Å; R72-D92 IonicContact NH2-OD2 3.37Å; R72-D92 PolarHBondContact NH2-OD2 3.01Å; R72-N93 VanDerWaalsContact O-CB 3.24Å; R72-N93 WeakPolarHBondContact O-CB 3.22Å; R72-N93 VanDerWaalsContact O-CG 3.23Å; R72-N93 PolarHBondContact O-N 3.01Å; R72-N93 PolarHBondContact O-ND2 3.09Å; R72-E94 VanDerWaalsContact CD-CD 3.47Å; R72-E94 WeakPolarHBondContact CD-OE2 3.24Å; R72-E94 HydrophobicContact CG-CB 4.38Å; R72-E94 HydrophobicContact CG-CG 3.97Å; R72-E94 IonicContact CZ-OE2 2.8Å; R72-E94 IonicContact NE-OE2 3.78Å; R72-E94 PolarHBondContact NE-OE2 3.22Å; R72-E94 IonicContact NH1-OE2 3.62Å; R72-Q95 VanDerWaalsContact NH2-NE2 3.19Å; R72-E134 IonicContact CZ-OE2 3.46Å; R72-E134 IonicContact NH1-OE2 2.83Å; R72-E134 PolarHBondContact NH1-OE2 3.01Å
73	F	87.5	Confident	69	Low	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	105.2	-170.3	-64.2	-72.1	0	0	0	110.7	I68 V69 I75 V90 N91 D92 M101 Y143 V145	I68-F73 WeakPolarHBondContact CA-O 3.18Å; V69-F73 HydrophobicContact CB-CB 4.37Å; V69-F73 PolarHBondContact N-O 3.06Å; V69-F73 PolarHBondContact O-N 2.78Å; F73-I75 PolarHBondContact O-N 2.87Å; F73-V90 HydrophobicContact CB-CB 4.06Å; F73-V90 HydrophobicContact CB-CG1 4.42Å; F73-V90 HydrophobicContact CB-CG2 4.14Å; F73-V90 HydrophobicContact CD1-CG2 3.9Å; F73-V90 HydrophobicContact CG-CG2 4.31Å; F73-N91 CarbonylContact C-O 3.44Å; F73-N91 WeakPolarHBondContact CA-O 3.4Å; F73-D92 HydrophobicContact CD1-CB 3.93Å; F73-D92 HydrophobicContact CE1-CB 3.8Å; F73-M101 HydrophobicContact CB-CE 3.58Å; F73-M101 HydrophobicContact CD2-CE 3.81Å; F73-M101 HydrophobicContact CG-CE 3.78Å; F73-Y143 HydrophobicContact CD2-CE2 4.43Å; F73-Y143 HydrophobicContact CE2-CE2 4.24Å; F73-V145 HydrophobicContact CD1-CG1 4.41Å; F73-V145 HydrophobicContact CD1-CG2 4.4Å; F73-V145 HydrophobicContact CD2-CG2 4.11Å; F73-V145 HydrophobicContact CE1-CG1 3.93Å; F73-V145 HydrophobicContact CE1-CG2 4.14Å; F73-V145 HydrophobicContact CE2-CG2 3.84Å; F73-V145 HydrophobicContact CG-CG2 4.38Å; F73-V145 HydrophobicContact CZ-CB 4.37Å; F73-V145 HydrophobicContact CZ-CG1 4.24Å; F73-V145 HydrophobicContact CZ-CG2 3.86Å
74	Q	86.6	Confident	68.9	Low	81 Å²	81	55 Å²	55	38%	0.379	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	117.7	174.8	-172.1	177.9	40.8	0	0	110.2	N67 I68 R72 G76 V90 N91	N67-Q74 CarbonylContact O-C 3.47Å; N67-Q74 WeakPolarHBondContact O-CA 3.34Å; I68-Q74 HydrophobicContact CG1-CB 4.48Å; R72-Q74 PolarHBondContact O-N 2.84Å; Q74-G76 PolarHBondContact O-N 2.82Å; Q74-V90 CarbonylContact O-C 3.42Å; Q74-V90 VanDerWaalsContact O-CA 3.24Å; Q74-V90 WeakPolarHBondContact O-CA 3.05Å; Q74-N91 HydrophobicContact CB-CB 4.49Å; Q74-N91 PolarHBondContact N-O 2.84Å; Q74-N91 PolarHBondContact O-N 3.02Å
75	I	78.2	Confident	69.2	Low	11 Å²	11	54.3 Å²	54.3	6%	0.056	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	126.8	177.2	-54.7	177.9	0	0	0	109.9	I25 I64 N67 V69 F73 F88 V90	I25-I75 HydrophobicContact CD1-CB 3.94Å; I25-I75 HydrophobicContact CD1-CG2 3.42Å; I25-I75 VanDerWaalsContact CD1-CG2 3.42Å; I25-I75 HydrophobicContact CG1-CG2 4.39Å; I64-I75 HydrophobicContact CB-CD1 4.41Å; I64-I75 HydrophobicContact CD1-CD1 3.53Å; I64-I75 HydrophobicContact CG1-CD1 3.48Å; I64-I75 VanDerWaalsContact CG1-CD1 3.48Å; I64-I75 HydrophobicContact CG2-CD1 4.16Å; N67-I75 PolarHBondContact O-N 3.39Å; V69-I75 HydrophobicContact CG2-CD1 3.59Å; V69-I75 HydrophobicContact CG2-CG1 3.76Å; F73-I75 PolarHBondContact O-N 2.87Å; I75-F88 HydrophobicContact CG2-CB 4.06Å; I75-F88 HydrophobicContact CG2-CD1 4.14Å; I75-F88 HydrophobicContact CG2-CG 4.28Å; I75-V90 HydrophobicContact CG1-CG1 4.23Å
76	G	73.7	Confident	69.9	Low	29 Å²	29	49 Å²	49	30%	0.299	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-130.7	172.5	0	0	0	0	0	111.6	Q74 Q89	Q74-G76 PolarHBondContact O-N 2.82Å; G76-Q89 WeakPolarHBondContact CA-O 3.27Å; G76-Q89 PolarHBondContact N-O 2.86Å
77	K	68	Low	70.9	Confident	162 Å²	162	47.9 Å²	47.9	70%	0.704	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.6	-178.9	-65.9	-177.2	-179.7	-179.2	0	110.9	I79 Q89	K77-I79 PolarHBondContact O-N 2.87Å; K77-Q89 WeakPolarHBondContact O-CB 3.43Å; K77-Q89 PolarHBondContact O-N 3.12Å
78	H	65.8	Low	71.4	Confident	55 Å²	55	46 Å²	46	26%	0.255	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.4	164.2	178.9	-100.8	0	0	0	109.4	Y80 S81 F88	H78-Y80 VanDerWaalsContact CE1-C 3.48Å; H78-S81 VanDerWaalsContact CE1-CB 3.41Å; H78-S81 WeakPolarHBondContact CE1-CB 3.43Å; H78-S81 PolarHBondContact CE1-N 3.29Å; H78-F88 HydrophobicContact CB-CD1 4.49Å; H78-F88 AromaticContact CD2-CD1 3.84Å; H78-F88 AromaticContact CD2-CE1 3.64Å
79	I	66.2	Low	71.7	Confident	77 Å²	77	45.2 Å²	45.2	40%	0.395	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-42.7	-173.3	-63.8	168.8	0	0	0	110.4	K77 K87 Q89 A100 M148	K77-I79 PolarHBondContact O-N 2.87Å; I79-K87 PolarHBondContact N-O 2.88Å; I79-Q89 VanDerWaalsContact CD1-CA 3.42Å; I79-Q89 HydrophobicContact CD1-CB 3.57Å; I79-Q89 HydrophobicContact CD1-CG 4.17Å; I79-Q89 VanDerWaalsContact CD1-N 3.25Å; I79-Q89 HydrophobicContact CG1-CB 3.71Å; I79-A100 HydrophobicContact CD1-CB 4.48Å; I79-M148 HydrophobicContact CD1-CE 3.61Å; I79-M148 HydrophobicContact CD1-SD 3.56Å; I79-M148 VanDerWaalsContact CD1-SD 3.56Å
80	Y	60.1	Low	72.2	Confident	110 Å²	110	45.2 Å²	45.2	43%	0.431	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	134.1	-171	-175.8	-100.1	0	0	0	112	H78 G82 K87	H78-Y80 VanDerWaalsContact CE1-C 3.48Å; Y80-G82 VanDerWaalsContact CE1-N 3.27Å; Y80-K87 HydrophobicContact CD1-CD 4.35Å; Y80-K87 PolarHBondContact N-O 2.74Å; Y80-K87 PolarHBondContact O-N 3.39Å
81	S	49.3	Very low	72.8	Confident	19 Å²	19	45.9 Å²	45.9	13%	0.133	24%	0.244	C	C	.	.			trans	-116	94.3	170.3	48.4	0	0	0	0	109.3	F32 H78	F32-S81 VanDerWaalsContact CD1-OG 3.27Å; F32-S81 WeakPolarHBondContact CD1-OG 3.4Å; F32-S81 WeakPolarHBondContact CD2-OG 3.45Å; F32-S81 WeakPolarHBondContact CE1-O 3.34Å; F32-S81 WeakPolarHBondContact CE1-OG 3.46Å; F32-S81 WeakPolarHBondContact CE2-OG 3.42Å; F32-S81 WeakPolarHBondContact CG-OG 3.21Å; F32-S81 WeakPolarHBondContact CZ-O 3.41Å; F32-S81 WeakPolarHBondContact CZ-OG 3.05Å; H78-S81 VanDerWaalsContact CE1-CB 3.41Å; H78-S81 WeakPolarHBondContact CE1-CB 3.43Å; H78-S81 PolarHBondContact CE1-N 3.29Å
82	G	50.3	Low	73.3	Confident	22 Å²	22	43.2 Å²	43.2	23%	0.227	21%	0.214	C	C	.	.	S	Bend	trans	-86.1	-169.1	157	0	0	0	0	0	110.5	Y80 Y84	Y80-G82 VanDerWaalsContact CE1-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.23Å
83	I	51.6	Low	73.3	Confident	134 Å²	134	45.9 Å²	45.9	69%	0.687	23%	0.231	S	C	*	.	S	Bend	trans	-76.4	47.7	178	-43	174.9	0	0	0	110.7
84	Y	61.1	Low	73.4	Confident	46 Å²	46	52.6 Å²	52.6	18%	0.18	26%	0.263	C	S	.	.	S	Bend	trans	76.9	146.3	-177.6	-47.6	-80.3	0	0	0	116	R56 G82 L86 Q108 R112	R56-Y84 PolarHBondContact NH1-OH 2.88Å; G82-Y84 PolarHBondContact O-N 3.23Å; Y84-L86 HydrophobicContact CD1-CG 4.35Å; Y84-L86 HydrophobicContact CE1-CD2 4.48Å; Y84-L86 HydrophobicContact CE1-CG 4.42Å; Y84-Q108 VanDerWaalsContact CD1-NE2 3.28Å; Y84-Q108 VanDerWaalsContact CG-OE1 3.28Å; Y84-R112 PolarHBondContact O-NH1 2.8Å; Y84-R112 PolarHBondContact O-NH2 2.65Å
85	P	66.9	Low	73.2	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	27%	0.266	C	S	.	.	S	Bend	cis	-69.8	156.5	-4	30.4	-36.1	0	0	0	112.1	K102 V103 R112 L113	P85-K102 HydrophobicContact CB-CB 4.06Å; P85-K102 HydrophobicContact CG-CB 3.88Å; P85-K102 HydrophobicContact CG-CD 3.75Å; P85-K102 HydrophobicContact CG-CG 4.12Å; P85-V103 WeakPolarHBondContact CA-O 3.42Å; P85-V103 WeakPolarHBondContact CB-O 3.42Å; P85-R112 VanDerWaalsContact CD-CZ 3.48Å; P85-L113 HydrophobicContact CB-CD2 4.14Å; P85-L113 HydrophobicContact CG-CD2 4.02Å
86	L	74.1	Confident	73.2	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.6	174.5	-66.6	168.8	0	0	0	109.1	V29 L60 Y84 F88 K102 V103 L105	V29-L86 HydrophobicContact CG1-CD1 4.41Å; V29-L86 HydrophobicContact CG1-CD2 4.3Å; V29-L86 HydrophobicContact CG2-CD2 4.43Å; L60-L86 HydrophobicContact CD1-CD1 3.74Å; L60-L86 HydrophobicContact CD2-CD1 3.73Å; L60-L86 HydrophobicContact CG-CD1 4.23Å; Y84-L86 HydrophobicContact CD1-CG 4.35Å; Y84-L86 HydrophobicContact CE1-CD2 4.48Å; Y84-L86 HydrophobicContact CE1-CG 4.42Å; L86-F88 HydrophobicContact CB-CE2 3.58Å; L86-F88 HydrophobicContact CB-CZ 3.77Å; L86-F88 HydrophobicContact CD1-CZ 4.22Å; L86-K102 CarbonylContact O-C 3.58Å; L86-K102 VanDerWaalsContact O-CA 3.24Å; L86-K102 WeakPolarHBondContact O-CA 3.34Å; L86-V103 HydrophobicContact CB-CB 4.47Å; L86-V103 PolarHBondContact N-O 3.35Å; L86-V103 PolarHBondContact O-N 3.47Å; L86-L105 HydrophobicContact CD1-CD1 4.44Å
87	K	80.2	Confident	73.8	Confident	34 Å²	34	59.3 Å²	59.3	15%	0.148	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.4	-175.7	-53.4	-170.5	-177.5	178.2	0	111.4	I79 Y80 M101 K102 D214	I79-K87 PolarHBondContact N-O 2.88Å; Y80-K87 HydrophobicContact CD1-CD 4.35Å; Y80-K87 PolarHBondContact N-O 2.74Å; Y80-K87 PolarHBondContact O-N 3.39Å; K87-M101 CarbonylContact C-O 3.54Å; K87-M101 WeakPolarHBondContact CA-O 3.28Å; K87-K102 HydrophobicContact CG-CG 4.25Å; K87-D214 IonicContact NZ-OD2 3.97Å; K87-D214 PolarHBondContact NZ-OD2 2.82Å
88	F	78.4	Confident	74.8	Confident	1 Å²	1	57.8 Å²	57.8	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.8	-178.8	-53.7	-82.6	0	0	0	111.4	I25 L60 I75 H78 L86 V90 A100 M101 V103	I25-F88 HydrophobicContact CG2-CD1 4.11Å; I25-F88 HydrophobicContact CG2-CE1 3.46Å; I25-F88 VanDerWaalsContact CG2-CE1 3.46Å; I25-F88 HydrophobicContact CG2-CZ 4.27Å; L60-F88 HydrophobicContact CD2-CZ 4.4Å; I75-F88 HydrophobicContact CG2-CB 4.06Å; I75-F88 HydrophobicContact CG2-CD1 4.14Å; I75-F88 HydrophobicContact CG2-CG 4.28Å; H78-F88 HydrophobicContact CB-CD1 4.49Å; H78-F88 AromaticContact CD2-CD1 3.84Å; H78-F88 AromaticContact CD2-CE1 3.64Å; L86-F88 HydrophobicContact CB-CE2 3.58Å; L86-F88 HydrophobicContact CB-CZ 3.77Å; L86-F88 HydrophobicContact CD1-CZ 4.22Å; F88-V90 HydrophobicContact CB-CG1 4.42Å; F88-A100 CarbonylContact O-C 3.54Å; F88-A100 WeakPolarHBondContact O-CA 3.34Å; F88-M101 PolarHBondContact N-O 3.08Å; F88-M101 PolarHBondContact O-N 3Å; F88-V103 HydrophobicContact CD2-CG2 3.89Å; F88-V103 HydrophobicContact CE2-CB 4.13Å; F88-V103 HydrophobicContact CE2-CG2 3.75Å
89	Q	85.1	Confident	76.1	Confident	33 Å²	33	56.6 Å²	56.6	15%	0.154	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135	159.8	-163	-167.2	-62.1	0	0	107.1	G76 K77 I79 Y99 M148	G76-Q89 WeakPolarHBondContact CA-O 3.27Å; G76-Q89 PolarHBondContact N-O 2.86Å; K77-Q89 WeakPolarHBondContact O-CB 3.43Å; K77-Q89 PolarHBondContact O-N 3.12Å; I79-Q89 VanDerWaalsContact CD1-CA 3.42Å; I79-Q89 HydrophobicContact CD1-CB 3.57Å; I79-Q89 HydrophobicContact CD1-CG 4.17Å; I79-Q89 VanDerWaalsContact CD1-N 3.25Å; I79-Q89 HydrophobicContact CG1-CB 3.71Å; Q89-Y99 CarbonylContact C-O 3.53Å; Q89-Y99 WeakPolarHBondContact CA-O 3.42Å; Q89-M148 HydrophobicContact CG-CE 4.38Å; Q89-M148 HydrophobicContact CG-SD 4.23Å
90	V	89.3	Confident	77.3	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.3	171.2	-57.4	0	0	0	0	109.7	F73 Q74 I75 F88 K98 Y99 M101 V145	F73-V90 HydrophobicContact CB-CB 4.06Å; F73-V90 HydrophobicContact CB-CG1 4.42Å; F73-V90 HydrophobicContact CB-CG2 4.14Å; F73-V90 HydrophobicContact CD1-CG2 3.9Å; F73-V90 HydrophobicContact CG-CG2 4.31Å; Q74-V90 CarbonylContact O-C 3.42Å; Q74-V90 VanDerWaalsContact O-CA 3.24Å; Q74-V90 WeakPolarHBondContact O-CA 3.05Å; I75-V90 HydrophobicContact CG1-CG1 4.23Å; F88-V90 HydrophobicContact CB-CG1 4.42Å; V90-K98 WeakPolarHBondContact O-CA 3.38Å; V90-Y99 PolarHBondContact N-O 2.93Å; V90-Y99 PolarHBondContact O-N 2.91Å; V90-M101 HydrophobicContact CG1-CB 3.56Å; V90-M101 HydrophobicContact CG1-CE 4.05Å; V90-M101 HydrophobicContact CG1-CG 4.4Å; V90-M101 HydrophobicContact CG1-SD 4Å; V90-M101 HydrophobicContact CG2-CB 4.09Å; V90-M101 HydrophobicContact CG2-CE 4.43Å; V90-V145 HydrophobicContact CG2-CG1 4.4Å
91	N	90.2	Very high	78.7	Confident	48 Å²	48	48.8 Å²	48.8	26%	0.257	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.9	164.2	-55.9	-32.7	0	0	0	107	F73 Q74 G97 K98	F73-N91 CarbonylContact C-O 3.44Å; F73-N91 WeakPolarHBondContact CA-O 3.4Å; Q74-N91 HydrophobicContact CB-CB 4.49Å; Q74-N91 PolarHBondContact N-O 2.84Å; Q74-N91 PolarHBondContact O-N 3.02Å; N91-G97 WeakPolarHBondContact CA-O 3.37Å; N91-K98 WeakPolarHBondContact OD1-CG 3.46Å
92	D	90.8	Very high	80.6	Confident	9 Å²	9	48.1 Å²	48.1	5%	0.048	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.5	172.7	-179	-10.1	0	0	0	108.7	R72 F73 E94 Q95 G97 Y99	R72-D92 WeakPolarHBondContact CG-OD1 3.38Å; R72-D92 IonicContact CZ-OD1 3.78Å; R72-D92 IonicContact CZ-OD2 3.73Å; R72-D92 IonicContact NE-OD1 3.78Å; R72-D92 PolarHBondContact NE-OD1 3Å; R72-D92 IonicContact NE-OD2 2.69Å; R72-D92 PolarHBondContact NE-OD2 3.5Å; R72-D92 IonicContact NH2-OD1 3.76Å; R72-D92 IonicContact NH2-OD2 3.37Å; R72-D92 PolarHBondContact NH2-OD2 3.01Å; F73-D92 HydrophobicContact CD1-CB 3.93Å; F73-D92 HydrophobicContact CE1-CB 3.8Å; D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact OD1-N 2.98Å; D92-Q95 HydrophobicContact CB-CB 4.44Å; D92-Q95 VanDerWaalsContact CB-O 3.29Å; D92-Q95 WeakPolarHBondContact CB-O 3.47Å; D92-Q95 PolarHBondContact OD1-N 3.25Å; D92-Q95 VanDerWaalsContact OD1-N 3.13Å; D92-Q95 WeakPolarHBondContact OD2-CB 3.36Å; D92-Q95 WeakPolarHBondContact OD2-CG 3.44Å; D92-G97 PolarHBondContact N-O 3.04Å; D92-Y99 HydrophobicContact CB-CD2 3.68Å; D92-Y99 HydrophobicContact CB-CE2 3.43Å; D92-Y99 VanDerWaalsContact CB-CE2 3.43Å
93	N	86.9	Confident	82.1	Confident	86 Å²	86	47 Å²	47	46%	0.46	25%	0.249	S	C	.	.	S	Bend	trans	-79.2	-14.2	-178.4	-66	-24	0	0	0	112.8	R72	R72-N93 VanDerWaalsContact O-CB 3.24Å; R72-N93 WeakPolarHBondContact O-CB 3.22Å; R72-N93 VanDerWaalsContact O-CG 3.23Å; R72-N93 PolarHBondContact O-N 3.01Å; R72-N93 PolarHBondContact O-ND2 3.09Å
94	E	87.9	Confident	83.4	Confident	142 Å²	142	41.1 Å²	41.1	66%	0.664	22%	0.218	S	C	*	.	S	Bend	trans	-96.3	-35.5	176.4	-67.7	178.6	-172.3	0	0	111.9	R72 D92	R72-E94 VanDerWaalsContact CD-CD 3.47Å; R72-E94 WeakPolarHBondContact CD-OE2 3.24Å; R72-E94 HydrophobicContact CG-CB 4.38Å; R72-E94 HydrophobicContact CG-CG 3.97Å; R72-E94 IonicContact CZ-OE2 2.8Å; R72-E94 IonicContact NE-OE2 3.78Å; R72-E94 PolarHBondContact NE-OE2 3.22Å; R72-E94 IonicContact NH1-OE2 3.62Å; D92-E94 VanDerWaalsContact C-N 3.29Å; D92-E94 PolarHBondContact OD1-N 2.98Å
95	Q	82.3	Confident	83.9	Confident	97 Å²	97	39 Å²	39	45%	0.453	21%	0.211	S	C	.	.	S	Bend	trans	-117.3	121.3	178	-51.4	-177.3	10.7	0	0	109.9	R72 D92 G97	R72-Q95 VanDerWaalsContact NH2-NE2 3.19Å; D92-Q95 HydrophobicContact CB-CB 4.44Å; D92-Q95 VanDerWaalsContact CB-O 3.29Å; D92-Q95 WeakPolarHBondContact CB-O 3.47Å; D92-Q95 PolarHBondContact OD1-N 3.25Å; D92-Q95 VanDerWaalsContact OD1-N 3.13Å; D92-Q95 WeakPolarHBondContact OD2-CB 3.36Å; D92-Q95 WeakPolarHBondContact OD2-CG 3.44Å; Q95-G97 PolarHBondContact O-N 3.14Å
96	S	79.5	Confident	83.9	Confident	136 Å²	136	41.3 Å²	41.3	95%	0.951	23%	0.225	S	C	*	.	S	Bend	trans	-56	105.9	175.4	-65.3	0	0	0	0	111.1
97	G	85.6	Confident	83.4	Confident	29 Å²	29	47.3 Å²	47.3	30%	0.299	25%	0.253	S	S	.	.			trans	175.7	157.7	-178.3	0	0	0	0	0	114.5	N91 D92 Q95	N91-G97 WeakPolarHBondContact CA-O 3.37Å; D92-G97 PolarHBondContact N-O 3.04Å; Q95-G97 PolarHBondContact O-N 3.14Å
98	K	90	Very high	82.4	Confident	130 Å²	130	46.9 Å²	46.9	57%	0.565	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.6	169.8	-73.5	175.1	178	175	0	109	V90 N91 M148	V90-K98 WeakPolarHBondContact O-CA 3.38Å; N91-K98 WeakPolarHBondContact OD1-CG 3.46Å; K98-M148 HydrophobicContact CB-CG 4.25Å; K98-M148 WeakPolarHBondContact O-CG 3.39Å
99	Y	92.5	Very high	81.5	Confident	30 Å²	30	56.9 Å²	56.9	12%	0.118	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161.6	-176.4	-60.3	-78.8	0	0	0	111.1	Q89 V90 D92 V133 V145 L146	Q89-Y99 CarbonylContact C-O 3.53Å; Q89-Y99 WeakPolarHBondContact CA-O 3.42Å; V90-Y99 PolarHBondContact N-O 2.93Å; V90-Y99 PolarHBondContact O-N 2.91Å; D92-Y99 HydrophobicContact CB-CD2 3.68Å; D92-Y99 HydrophobicContact CB-CE2 3.43Å; D92-Y99 VanDerWaalsContact CB-CE2 3.43Å; Y99-V133 HydrophobicContact CD1-CG2 3.7Å; Y99-V133 HydrophobicContact CE1-CG1 4.41Å; Y99-V133 HydrophobicContact CE1-CG2 3.72Å; Y99-V145 HydrophobicContact CD1-CG1 4.39Å; Y99-V145 HydrophobicContact CG-CG1 3.97Å; Y99-L146 WeakPolarHBondContact CA-O 3.44Å; Y99-L146 WeakPolarHBondContact CB-O 3.36Å
100	A	90.5	Very high	80.4	Confident	22 Å²	22	65.9 Å²	65.9	18%	0.182	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.4	169.7	0	0	0	0	0	108.8	I79 F88 V145 L146 M148	I79-A100 HydrophobicContact CD1-CB 4.48Å; F88-A100 CarbonylContact O-C 3.54Å; F88-A100 WeakPolarHBondContact O-CA 3.34Å; A100-V145 CarbonylContact O-C 3.48Å; A100-V145 WeakPolarHBondContact O-CA 3.25Å; A100-L146 PolarHBondContact N-O 2.99Å; A100-L146 PolarHBondContact O-N 3.49Å; A100-M148 HydrophobicContact CB-SD 3.82Å
101	M	89.7	Confident	79.9	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.5	174.2	-179.2	179.4	-79.9	0	0	109.9	V69 F73 K87 F88 V90 V103 Y143 L144 V145	V69-M101 HydrophobicContact CB-CE 3.9Å; V69-M101 HydrophobicContact CB-SD 4.12Å; V69-M101 HydrophobicContact CG1-CE 3.88Å; V69-M101 HydrophobicContact CG1-SD 4.04Å; V69-M101 HydrophobicContact CG2-CE 4.28Å; V69-M101 HydrophobicContact CG2-SD 3.89Å; F73-M101 HydrophobicContact CB-CE 3.58Å; F73-M101 HydrophobicContact CD2-CE 3.81Å; F73-M101 HydrophobicContact CG-CE 3.78Å; K87-M101 CarbonylContact C-O 3.54Å; K87-M101 WeakPolarHBondContact CA-O 3.28Å; F88-M101 PolarHBondContact N-O 3.08Å; F88-M101 PolarHBondContact O-N 3Å; V90-M101 HydrophobicContact CG1-CB 3.56Å; V90-M101 HydrophobicContact CG1-CE 4.05Å; V90-M101 HydrophobicContact CG1-CG 4.4Å; V90-M101 HydrophobicContact CG1-SD 4Å; V90-M101 HydrophobicContact CG2-CB 4.09Å; V90-M101 HydrophobicContact CG2-CE 4.43Å; M101-V103 HydrophobicContact CG-CG2 3.95Å; M101-V103 HydrophobicContact SD-CG2 4.08Å; M101-Y143 HydrophobicContact CE-CD2 3.93Å; M101-Y143 HydrophobicContact CE-CG 4.34Å; M101-L144 CarbonylContact C-O 3.54Å; M101-L144 WeakPolarHBondContact CA-O 3.49Å; M101-V145 HydrophobicContact CE-CG2 3.7Å; M101-V145 HydrophobicContact CG-CG2 4.46Å
102	K	89	Confident	79.7	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.022	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.6	165.3	-59.4	-171.5	177.8	-168.1	0	109.4	P85 L86 K87 L113 E116 Y143 L144 L146 V213 D214	P85-K102 HydrophobicContact CB-CB 4.06Å; P85-K102 HydrophobicContact CG-CB 3.88Å; P85-K102 HydrophobicContact CG-CD 3.75Å; P85-K102 HydrophobicContact CG-CG 4.12Å; L86-K102 CarbonylContact O-C 3.58Å; L86-K102 VanDerWaalsContact O-CA 3.24Å; L86-K102 WeakPolarHBondContact O-CA 3.34Å; K87-K102 HydrophobicContact CG-CG 4.25Å; K102-L113 HydrophobicContact CB-CD1 4.42Å; K102-L113 HydrophobicContact CB-CD2 3.76Å; K102-L113 HydrophobicContact CD-CD2 4.19Å; K102-E116 IonicContact NZ-OE1 3.35Å; K102-E116 PolarHBondContact NZ-OE1 2.8Å; K102-E116 IonicContact NZ-OE2 3.65Å; K102-E116 PolarHBondContact NZ-OE2 2.69Å; K102-Y143 CarbonylContact O-C 3.5Å; K102-Y143 WeakPolarHBondContact O-CA 3.28Å; K102-L144 HydrophobicContact CB-CB 4.3Å; K102-L144 HydrophobicContact CD-CD2 4.45Å; K102-L144 PolarHBondContact N-O 3.41Å; K102-L144 PolarHBondContact O-N 2.9Å; K102-L146 HydrophobicContact CD-CD1 4.39Å; K102-V213 WeakPolarHBondContact CE-O 3.34Å; K102-V213 PolarHBondContact NZ-O 2.93Å; K102-D214 IonicContact NZ-OD1 3.68Å; K102-D214 IonicContact NZ-OD2 3.24Å; K102-D214 PolarHBondContact NZ-OD2 2.97Å
103	V	82.3	Confident	79.6	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.7	178.3	178.5	0	0	0	0	109.8	L63 P85 L86 F88 M101 L105 I141 D142	L63-V103 HydrophobicContact CD2-CB 4.2Å; L63-V103 HydrophobicContact CD2-CG1 3.43Å; L63-V103 VanDerWaalsContact CD2-CG1 3.43Å; L63-V103 HydrophobicContact CD2-CG2 3.65Å; P85-V103 WeakPolarHBondContact CA-O 3.42Å; P85-V103 WeakPolarHBondContact CB-O 3.42Å; L86-V103 HydrophobicContact CB-CB 4.47Å; L86-V103 PolarHBondContact N-O 3.35Å; L86-V103 PolarHBondContact O-N 3.47Å; F88-V103 HydrophobicContact CD2-CG2 3.89Å; F88-V103 HydrophobicContact CE2-CB 4.13Å; F88-V103 HydrophobicContact CE2-CG2 3.75Å; M101-V103 HydrophobicContact CG-CG2 3.95Å; M101-V103 HydrophobicContact SD-CG2 4.08Å; V103-L105 HydrophobicContact CG1-CD2 4.37Å; V103-I141 HydrophobicContact CG1-CG2 3.52Å; V103-D142 WeakPolarHBondContact CA-O 3.31Å
104	D	79.4	Confident	79.8	Confident	9 Å²	9	73.1 Å²	73.1	5%	0.048	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.4	176.3	-158.1	18.1	0	0	0	109.6	Q108 R112 L113 D142	D104-Q108 VanDerWaalsContact OD1-CB 3.31Å; D104-Q108 WeakPolarHBondContact OD1-CB 3.36Å; D104-Q108 PolarHBondContact OD1-OE1 3.01Å; D104-R112 WeakPolarHBondContact OD2-CB 3.44Å; D104-L113 HydrophobicContact CB-CD1 3.55Å; D104-L113 HydrophobicContact CB-CG 3.72Å; D104-D142 PolarHBondContact N-O 2.85Å; D104-D142 PolarHBondContact O-N 2.87Å
105	L	70.4	Confident	80	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.016	33%	0.33	C	S	.	.			trans	-83.2	151.7	-171.9	-61.9	174.7	0	0	0	110.5	R56 D59 L60 L86 V103 H107 Q108 I141	R56-L105 HydrophobicContact CB-CD1 3.67Å; R56-L105 HydrophobicContact CG-CD1 3.57Å; D59-L105 HydrophobicContact CB-CD2 4.2Å; L60-L105 HydrophobicContact CD2-CD2 4.05Å; L60-L105 HydrophobicContact CG-CD1 4.5Å; L60-L105 HydrophobicContact CG-CD2 3.96Å; L86-L105 HydrophobicContact CD1-CD1 4.44Å; V103-L105 HydrophobicContact CG1-CD2 4.37Å; L105-H107 PolarHBondContact O-N 2.93Å; L105-Q108 HydrophobicContact CB-CG 4.43Å; L105-Q108 WeakPolarHBondContact O-CA 3.45Å; L105-Q108 WeakPolarHBondContact O-CB 3.12Å; L105-Q108 PolarHBondContact O-N 3.43Å; L105-I141 HydrophobicContact CD2-CG2 4.32Å
106	P	67	Low	80.6	Confident	48 Å²	48	65.2 Å²	65.2	31%	0.312	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.6	-168	-23.3	34	0	0	0	114.6	D59 Q108 I141	D59-P106 WeakPolarHBondContact OD2-CD 3.48Å; P106-Q108 VanDerWaalsContact C-N 3.27Å; P106-Q108 PolarHBondContact O-N 3.24Å; P106-I141 HydrophobicContact CG-CG1 3.84Å
107	H	63.3	Low	81.4	Confident	131 Å²	131	58.9 Å²	58.9	61%	0.606	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.5	178.4	-59.6	-57.5	0	0	0	113.9	D59 L105	D59-H107 IonicContact OD2-CD2 3.74Å; D59-H107 IonicContact OD2-NE2 3.91Å; L105-H107 PolarHBondContact O-N 2.93Å
108	Q	60.3	Low	81.8	Confident	26 Å²	26	62 Å²	62	12%	0.121	27%	0.27	C	S	.	.	S	Bend	trans	-103.3	143.3	177.6	-57.2	-168.9	-52.3	0	0	108.9	Y84 D104 L105 P106 R110	Y84-Q108 VanDerWaalsContact CD1-NE2 3.28Å; Y84-Q108 VanDerWaalsContact CG-OE1 3.28Å; D104-Q108 VanDerWaalsContact OD1-CB 3.31Å; D104-Q108 WeakPolarHBondContact OD1-CB 3.36Å; D104-Q108 PolarHBondContact OD1-OE1 3.01Å; L105-Q108 HydrophobicContact CB-CG 4.43Å; L105-Q108 WeakPolarHBondContact O-CA 3.45Å; L105-Q108 WeakPolarHBondContact O-CB 3.12Å; L105-Q108 PolarHBondContact O-N 3.43Å; P106-Q108 VanDerWaalsContact C-N 3.27Å; P106-Q108 PolarHBondContact O-N 3.24Å; Q108-R110 PolarHBondContact O-N 3.37Å
109	R	60.3	Low	82.1	Confident	210 Å²	210	55.9 Å²	55.9	79%	0.792	24%	0.243	S	C	*	.			trans	-25.1	100.7	-171.7	-64.8	-178.8	176	-174.1	-2.9	112.9	N111 R112	R109-N111 PolarHBondContact O-N 3.3Å; R109-R112 PolarHBondContact O-N 2.88Å
110	R	61.9	Low	82.3	Confident	223 Å²	223	54.6 Å²	54.6	84%	0.842	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.1	125.6	179	-71.5	-179.5	173.3	158.5	-3	109.6	Q108	Q108-R110 PolarHBondContact O-N 3.37Å
111	N	77.7	Confident	82.6	Confident	102 Å²	102	58.9 Å²	58.9	55%	0.545	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	13.5	173.1	-44.1	-32	0	0	0	118.3	R109 K115	R109-N111 PolarHBondContact O-N 3.3Å; N111-K115 WeakPolarHBondContact O-CB 3.32Å; N111-K115 PolarHBondContact O-N 2.99Å
112	R	85.4	Confident	82.8	Confident	65 Å²	65	64 Å²	64	25%	0.245	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-51.4	175.1	-178.1	-176.4	172.9	-174.3	-3.1	112.1	Y84 P85 D104 R109 Y114 K115 E116 D214	Y84-R112 PolarHBondContact O-NH1 2.8Å; Y84-R112 PolarHBondContact O-NH2 2.65Å; P85-R112 VanDerWaalsContact CD-CZ 3.48Å; D104-R112 WeakPolarHBondContact OD2-CB 3.44Å; R109-R112 PolarHBondContact O-N 2.88Å; R112-Y114 VanDerWaalsContact C-N 3.35Å; R112-K115 PolarHBondContact O-N 3.29Å; R112-E116 PolarHBondContact O-N 2.74Å; R112-D214 IonicContact NH2-OD1 3.07Å
113	L	89.6	Confident	83.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-35.7	178.5	-72.9	-177.1	0	0	0	112.6	P85 K102 D104 K115 E116 A117 Y135 D142 L144	P85-L113 HydrophobicContact CB-CD2 4.14Å; P85-L113 HydrophobicContact CG-CD2 4.02Å; K102-L113 HydrophobicContact CB-CD1 4.42Å; K102-L113 HydrophobicContact CB-CD2 3.76Å; K102-L113 HydrophobicContact CD-CD2 4.19Å; D104-L113 HydrophobicContact CB-CD1 3.55Å; D104-L113 HydrophobicContact CB-CG 3.72Å; L113-K115 VanDerWaalsContact C-N 3.33Å; L113-K115 PolarHBondContact O-N 3.31Å; L113-E116 PolarHBondContact O-N 3.17Å; L113-A117 WeakPolarHBondContact O-CB 3.42Å; L113-A117 PolarHBondContact O-N 3.24Å; L113-Y135 HydrophobicContact CB-CD2 4.37Å; L113-Y135 HydrophobicContact CB-CE2 4.11Å; L113-D142 HydrophobicContact CB-CB 4.46Å; L113-D142 HydrophobicContact CD1-CB 4.27Å; L113-D142 WeakPolarHBondContact CD1-O 3.41Å; L113-L144 HydrophobicContact CB-CB 4.48Å; L113-L144 HydrophobicContact CD1-CB 4.36Å; L113-L144 HydrophobicContact CD2-CB 4.09Å; L113-L144 HydrophobicContact CD2-CD2 4.21Å
114	Y	91.8	Very high	83.7	Confident	128 Å²	128	67.8 Å²	67.8	50%	0.502	30%	0.299	S	S	.	.	H	α-helix	trans	-58.1	-46.3	172.9	-179.8	-94.4	0	0	0	111.6	R112 A117 F118 Y135	R112-Y114 VanDerWaalsContact C-N 3.35Å; Y114-A117 PolarHBondContact O-N 2.99Å; Y114-F118 PolarHBondContact O-N 2.86Å; Y114-Y135 HydrophobicContact CD2-CD1 4.34Å; Y114-Y135 AromaticContact CD2-CE1 3.67Å; Y114-Y135 HydrophobicContact CD2-CE1 3.67Å; Y114-Y135 AromaticContact CD2-CZ 3.9Å; Y114-Y135 HydrophobicContact CE2-CE1 4.47Å
115	K	92.1	Very high	84.4	Confident	72 Å²	72	74.7 Å²	74.7	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-44.6	175.9	-176.4	-176.1	-174	177.2	0	112	N111 R112 L113 A117 F118 I119 A218	N111-K115 WeakPolarHBondContact O-CB 3.32Å; N111-K115 PolarHBondContact O-N 2.99Å; R112-K115 PolarHBondContact O-N 3.29Å; L113-K115 VanDerWaalsContact C-N 3.33Å; L113-K115 PolarHBondContact O-N 3.31Å; K115-A117 VanDerWaalsContact C-N 3.35Å; K115-F118 WeakPolarHBondContact O-CB 3.35Å; K115-F118 PolarHBondContact O-N 3.47Å; K115-I119 HydrophobicContact CG-CD1 4.14Å; K115-I119 WeakPolarHBondContact O-CG1 3.42Å; K115-I119 PolarHBondContact O-N 2.81Å; K115-A218 VanDerWaalsContact CE-O 3.28Å; K115-A218 WeakPolarHBondContact CE-O 3.43Å; K115-A218 PolarHBondContact NZ-O 3.19Å
116	E	94.6	Very high	85.6	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-43.5	176.9	175.3	158.7	-151.2	0	0	111.4	K102 R112 L113 F118 I119 L120 L144 F215	K102-E116 IonicContact NZ-OE1 3.35Å; K102-E116 PolarHBondContact NZ-OE1 2.8Å; K102-E116 IonicContact NZ-OE2 3.65Å; K102-E116 PolarHBondContact NZ-OE2 2.69Å; R112-E116 PolarHBondContact O-N 2.74Å; L113-E116 PolarHBondContact O-N 3.17Å; E116-F118 VanDerWaalsContact C-N 3.33Å; E116-F118 PolarHBondContact O-N 3.33Å; E116-I119 PolarHBondContact O-N 3.48Å; E116-L120 HydrophobicContact CG-CD1 3.87Å; E116-L120 HydrophobicContact CG-CG 4.46Å; E116-L120 WeakPolarHBondContact O-CB 3.29Å; E116-L120 VanDerWaalsContact O-CG 3.26Å; E116-L120 WeakPolarHBondContact O-CG 3.24Å; E116-L120 PolarHBondContact O-N 3.13Å; E116-L144 HydrophobicContact CB-CD2 4.2Å; E116-L144 HydrophobicContact CG-CD2 3.62Å; E116-F215 HydrophobicContact CB-CB 4.43Å; E116-F215 HydrophobicContact CG-CB 3.97Å; E116-F215 PolarHBondContact OE1-N 3.41Å
117	A	95.5	Very high	87	Confident	3 Å²	3	77.1 Å²	77.1	3%	0.025	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-41	173.7	0	0	0	0	0	112.3	L113 Y114 K115 L120 K121 Y132 Y135 L144	L113-A117 WeakPolarHBondContact O-CB 3.42Å; L113-A117 PolarHBondContact O-N 3.24Å; Y114-A117 PolarHBondContact O-N 2.99Å; K115-A117 VanDerWaalsContact C-N 3.35Å; A117-L120 PolarHBondContact O-N 2.88Å; A117-K121 WeakPolarHBondContact O-CB 3.38Å; A117-K121 WeakPolarHBondContact O-CG 3.38Å; A117-K121 PolarHBondContact O-N 3.26Å; A117-Y132 HydrophobicContact CB-CD2 4.42Å; A117-Y132 HydrophobicContact CB-CE2 4.05Å; A117-Y135 HydrophobicContact CB-CD2 4.21Å; A117-Y135 HydrophobicContact CB-CG 4Å; A117-L144 HydrophobicContact CB-CD1 3.96Å
118	F	95.2	Very high	88.6	Confident	95 Å²	95	71.9 Å²	71.9	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-47.1	175.8	179.7	-98.4	0	0	0	112	Y114 K115 E116 K121 R122 F189	Y114-F118 PolarHBondContact O-N 2.86Å; K115-F118 WeakPolarHBondContact O-CB 3.35Å; K115-F118 PolarHBondContact O-N 3.47Å; E116-F118 VanDerWaalsContact C-N 3.33Å; E116-F118 PolarHBondContact O-N 3.33Å; F118-K121 PolarHBondContact O-N 2.84Å; F118-R122 PolarHBondContact O-N 2.83Å; F118-F189 AromaticContact CD1-CZ 3.95Å; F118-F189 HydrophobicContact CD1-CZ 3.95Å; F118-F189 AromaticContact CE1-CZ 3.82Å; F118-F189 HydrophobicContact CE1-CZ 3.82Å
119	I	96.3	Very high	90.3	Very high	0 Å²	0	71 Å²	71	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-47.8	178.3	-66	166.1	0	0	0	110.4	K115 E116 K121 R122 L123 F189 F215 A218	K115-I119 HydrophobicContact CG-CD1 4.14Å; K115-I119 WeakPolarHBondContact O-CG1 3.42Å; K115-I119 PolarHBondContact O-N 2.81Å; E116-I119 PolarHBondContact O-N 3.48Å; I119-K121 PolarHBondContact O-N 3.26Å; I119-R122 WeakPolarHBondContact O-CB 3.24Å; I119-R122 PolarHBondContact O-N 3.36Å; I119-L123 HydrophobicContact CG2-CD1 3.67Å; I119-L123 HydrophobicContact CG2-CG 4.39Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 2.77Å; I119-F189 HydrophobicContact CD1-CD1 3.73Å; I119-F189 HydrophobicContact CD1-CE1 3.83Å; I119-F189 HydrophobicContact CD1-CG 4.31Å; I119-F189 HydrophobicContact CD1-CZ 4.49Å; I119-F189 HydrophobicContact CG1-CD1 3.76Å; I119-F189 HydrophobicContact CG1-CD2 4.26Å; I119-F189 HydrophobicContact CG1-CE1 3.51Å; I119-F189 HydrophobicContact CG1-CE2 4.06Å; I119-F189 HydrophobicContact CG1-CG 4.14Å; I119-F189 HydrophobicContact CG1-CZ 3.69Å; I119-F215 HydrophobicContact CD1-CB 4.25Å; I119-F215 HydrophobicContact CG2-CB 4.46Å; I119-F215 HydrophobicContact CG2-CD1 3.6Å; I119-F215 HydrophobicContact CG2-CE1 3.96Å; I119-F215 HydrophobicContact CG2-CG 4.04Å; I119-A218 HydrophobicContact CD1-CB 3.62Å
120	L	96.9	Very high	91.8	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-39.6	-178.9	-73.4	169	0	0	0	113	E116 A117 R122 L123 S124 V129 S130 L144 L146 F215	E116-L120 HydrophobicContact CG-CD1 3.87Å; E116-L120 HydrophobicContact CG-CG 4.46Å; E116-L120 WeakPolarHBondContact O-CB 3.29Å; E116-L120 VanDerWaalsContact O-CG 3.26Å; E116-L120 WeakPolarHBondContact O-CG 3.24Å; E116-L120 PolarHBondContact O-N 3.13Å; A117-L120 PolarHBondContact O-N 2.88Å; L120-R122 VanDerWaalsContact C-N 3.26Å; L120-R122 PolarHBondContact O-N 2.78Å; L120-L123 CarbonylContact O-C 3.56Å; L120-L123 PolarHBondContact O-N 3.23Å; L120-S124 PolarHBondContact O-N 3.4Å; L120-V129 HydrophobicContact CD2-CB 4.47Å; L120-S130 WeakPolarHBondContact CD2-O 3.33Å; L120-L144 HydrophobicContact CD1-CD2 3.98Å; L120-L146 HydrophobicContact CD1-CD1 4.26Å; L120-L146 HydrophobicContact CD1-CD2 3.48Å; L120-L146 VanDerWaalsContact CD1-CD2 3.48Å; L120-F215 HydrophobicContact CD2-CD2 3.65Å; L120-F215 HydrophobicContact CD2-CE2 3.32Å; L120-F215 HydrophobicContact CD2-CZ 4.23Å; L120-F215 HydrophobicContact CG-CD2 3.99Å; L120-F215 HydrophobicContact CG-CE2 4.16Å
121	K	95.8	Very high	93.3	Very high	112 Å²	112	56.6 Å²	56.6	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-61.1	-37	173	-77.7	-179.6	-179.7	-178.4	0	112.2	A117 F118 I119 L123 S124 Y132	A117-K121 WeakPolarHBondContact O-CB 3.38Å; A117-K121 WeakPolarHBondContact O-CG 3.38Å; A117-K121 PolarHBondContact O-N 3.26Å; F118-K121 PolarHBondContact O-N 2.84Å; I119-K121 PolarHBondContact O-N 3.26Å; K121-L123 VanDerWaalsContact C-N 3.28Å; K121-S124 PolarHBondContact O-N 3.39Å; K121-Y132 HydrophobicContact CD-CE1 4.48Å; K121-Y132 VanDerWaalsContact CE-CE1 3.42Å; K121-Y132 WeakPolarHBondContact CE-OH 3.4Å; K121-Y132 HydrophobicContact CG-CD1 4.07Å; K121-Y132 HydrophobicContact CG-CD2 4.16Å; K121-Y132 HydrophobicContact CG-CE1 4.21Å; K121-Y132 HydrophobicContact CG-CE2 4.28Å; K121-Y132 HydrophobicContact CG-CG 4.05Å; K121-Y132 PolarHBondContact NZ-OH 3.43Å
122	R	94.6	Very high	94.1	Very high	109 Å²	109	55 Å²	55	41%	0.411	26%	0.261	S	S	.	.	H	α-helix	trans	-74.7	-20.7	179.3	-165.1	163.4	175.6	69.7	24.6	113.1	F118 I119 L120 A187 D224	F118-R122 PolarHBondContact O-N 2.83Å; I119-R122 WeakPolarHBondContact O-CB 3.24Å; I119-R122 PolarHBondContact O-N 3.36Å; L120-R122 VanDerWaalsContact C-N 3.26Å; L120-R122 PolarHBondContact O-N 2.78Å; R122-A187 HydrophobicContact CG-CB 4.23Å; R122-A187 PolarHBondContact NE-O 2.83Å; R122-D224 IonicContact CZ-OD1 3.42Å; R122-D224 VanDerWaalsContact CZ-OD1 3.22Å; R122-D224 IonicContact CZ-OD2 3.72Å; R122-D224 IonicContact NE-OD1 3.32Å; R122-D224 IonicContact NE-OD2 3.93Å; R122-D224 IonicContact NH1-OD1 2.94Å; R122-D224 IonicContact NH1-OD2 2.64Å; R122-D224 PolarHBondContact NH1-OD2 2.9Å; R122-D224 IonicContact NH2-OD1 2.96Å; R122-D224 PolarHBondContact NH2-OD1 3.29Å; R122-D224 IonicContact NH2-OD2 3.22Å; R122-D224 PolarHBondContact NH2-OD2 3.49Å
123	L	96.5	Very high	94.5	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.037	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	21.1	177.1	-62.3	173.7	0	0	0	112.4	I119 L120 K121 D125 C126 V129 A183 V184 A187 F215	I119-L123 HydrophobicContact CG2-CD1 3.67Å; I119-L123 HydrophobicContact CG2-CG 4.39Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 2.77Å; L120-L123 CarbonylContact O-C 3.56Å; L120-L123 PolarHBondContact O-N 3.23Å; K121-L123 VanDerWaalsContact C-N 3.28Å; L123-D125 PolarHBondContact O-N 2.8Å; L123-D125 VanDerWaalsContact O-N 3.1Å; L123-C126 HydrophobicContact CB-CB 4.38Å; L123-C126 WeakPolarHBondContact O-CB 3.48Å; L123-C126 PolarHBondContact O-N 3.37Å; L123-V129 HydrophobicContact CB-CG1 4.24Å; L123-V129 HydrophobicContact CB-CG2 4Å; L123-V129 HydrophobicContact CD1-CG1 4.06Å; L123-V129 WeakPolarHBondContact O-CG2 3.22Å; L123-A183 HydrophobicContact CD2-CB 4.15Å; L123-A183 WeakPolarHBondContact CD2-O 3.47Å; L123-V184 HydrophobicContact CD1-CG2 3.89Å; L123-A187 HydrophobicContact CD2-CB 3.65Å; L123-A187 HydrophobicContact CG-CB 4.42Å; L123-F215 HydrophobicContact CD1-CE1 3.74Å; L123-F215 HydrophobicContact CD1-CZ 3.87Å
124	S	94.2	Very high	94.6	Very high	77 Å²	77	55.8 Å²	55.8	54%	0.538	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.2	-173.2	59.1	0	0	0	0	114.3	L120 K121	L120-S124 PolarHBondContact O-N 3.4Å; K121-S124 PolarHBondContact O-N 3.39Å
125	D	93.8	Very high	94.7	Very high	153 Å²	153	52.3 Å²	52.3	82%	0.818	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.3	-175.6	-57.9	-16.1	0	0	0	112.3	L123 P127	L123-D125 PolarHBondContact O-N 2.8Å; L123-D125 VanDerWaalsContact O-N 3.1Å; D125-P127 WeakPolarHBondContact O-CD 2.88Å
126	C	95.9	Very high	94.6	Very high	19 Å²	19	49.4 Å²	49.4	13%	0.128	25%	0.247	C	C	.	.			trans	-79.5	122.7	178.4	-174.3	0	0	0	0	110.1	L123 H128 V129 A183	L123-C126 HydrophobicContact CB-CB 4.38Å; L123-C126 WeakPolarHBondContact O-CB 3.48Å; L123-C126 PolarHBondContact O-N 3.37Å; C126-H128 PolarHBondContact O-N 2.85Å; C126-V129 HydrophobicContact CB-CG1 4.2Å; C126-V129 HydrophobicContact CB-CG2 4.11Å; C126-A183 HydrophobicContact CB-CB 4.14Å; C126-A183 VanDerWaalsContact SG-CB 3.59Å
127	P	95.6	Very high	94.2	Very high	83 Å²	83	52.8 Å²	52.8	54%	0.539	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.2	177	28.2	-33.8	0	0	0	112.8	D125 V209	D125-P127 WeakPolarHBondContact O-CD 2.88Å; P127-V209 WeakPolarHBondContact O-CG1 3.22Å
128	H	97.5	Very high	93.5	Very high	21 Å²	21	56.2 Å²	56.2	10%	0.097	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	27.5	-175.2	-57.9	-68.9	0	0	0	113.7	C126 Q176 E179 A180 I210 S211 I212	C126-H128 PolarHBondContact O-N 2.85Å; H128-Q176 PolarHBondContact CE1-OE1 3.2Å; H128-E179 IonicContact CE1-OE2 2.73Å; H128-E179 IonicContact NE2-OE2 2.79Å; H128-E179 PolarHBondContact NE2-OE2 3.33Å; H128-A180 HydrophobicContact CB-CB 3.47Å; H128-A180 VanDerWaalsContact CB-CB 3.47Å; H128-I210 WeakPolarHBondContact CA-O 3Å; H128-I210 WeakPolarHBondContact CB-O 2.92Å; H128-I210 PolarHBondContact ND1-O 3.29Å; H128-S211 CarbonylContact O-C 3.59Å; H128-S211 VanDerWaalsContact O-CA 3.31Å; H128-S211 WeakPolarHBondContact O-CA 3.41Å; H128-I212 PolarHBondContact O-N 3.21Å
129	V	95.3	Very high	92.7	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.042	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-133.8	147.5	172.7	-54.4	0	0	0	0	111	L120 L123 C126 K131 F215	L120-V129 HydrophobicContact CD2-CB 4.47Å; L123-V129 HydrophobicContact CB-CG1 4.24Å; L123-V129 HydrophobicContact CB-CG2 4Å; L123-V129 HydrophobicContact CD1-CG1 4.06Å; L123-V129 WeakPolarHBondContact O-CG2 3.22Å; C126-V129 HydrophobicContact CB-CG1 4.2Å; C126-V129 HydrophobicContact CB-CG2 4.11Å; V129-K131 PolarHBondContact O-N 2.78Å; V129-F215 HydrophobicContact CB-CE2 4.44Å; V129-F215 HydrophobicContact CB-CZ 4.21Å; V129-F215 HydrophobicContact CG1-CE2 4.47Å; V129-F215 HydrophobicContact CG1-CZ 3.77Å
130	S	92.4	Very high	91.8	Very high	5 Å²	5	57.7 Å²	57.7	4%	0.035	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-59.7	128.4	172.6	-56.4	0	0	0	0	109.8	L120 Y132 I212	L120-S130 WeakPolarHBondContact CD2-O 3.33Å; S130-Y132 PolarHBondContact O-N 3.06Å; S130-I212 PolarHBondContact N-O 2.76Å; S130-I212 PolarHBondContact OG-O 2.73Å
131	K	92.4	Very high	90.8	Very high	127 Å²	127	57.5 Å²	57.5	55%	0.552	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-71.8	130.4	-174.4	-61.5	179.2	179.9	175.3	0	110.6	V129 L146 T147	V129-K131 PolarHBondContact O-N 2.78Å; K131-L146 WeakPolarHBondContact O-CA 3.5Å; K131-T147 HydrophobicContact CB-CG2 3.69Å; K131-T147 HydrophobicContact CD-CG2 4.43Å; K131-T147 HydrophobicContact CG-CG2 4.49Å; K131-T147 PolarHBondContact N-OG1 3.43Å; K131-T147 VanDerWaalsContact N-OG1 3.14Å; K131-T147 PolarHBondContact O-N 3.3Å
132	Y	94.9	Very high	90.3	Very high	68 Å²	68	53.4 Å²	53.4	27%	0.267	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	133.7	171.8	171.1	-88.3	0	0	0	110.3	A117 K121 S130 E134 Y135 L144	A117-Y132 HydrophobicContact CB-CD2 4.42Å; A117-Y132 HydrophobicContact CB-CE2 4.05Å; K121-Y132 HydrophobicContact CD-CE1 4.48Å; K121-Y132 VanDerWaalsContact CE-CE1 3.42Å; K121-Y132 WeakPolarHBondContact CE-OH 3.4Å; K121-Y132 HydrophobicContact CG-CD1 4.07Å; K121-Y132 HydrophobicContact CG-CD2 4.16Å; K121-Y132 HydrophobicContact CG-CE1 4.21Å; K121-Y132 HydrophobicContact CG-CE2 4.28Å; K121-Y132 HydrophobicContact CG-CG 4.05Å; K121-Y132 PolarHBondContact NZ-OH 3.43Å; S130-Y132 PolarHBondContact O-N 3.06Å; Y132-E134 WeakPolarHBondContact OH-CA 3.4Å; Y132-Y135 PolarHBondContact OH-N 3.35Å; Y132-L144 HydrophobicContact CD2-CD1 3.86Å; Y132-L144 HydrophobicContact CE2-CD1 3.96Å
133	V	93.3	Very high	90.1	Very high	38 Å²	38	48.9 Å²	48.9	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-59.7	170.2	179.1	0	0	0	0	109.2	Y99 V145 T147	Y99-V133 HydrophobicContact CD1-CG2 3.7Å; Y99-V133 HydrophobicContact CE1-CG1 4.41Å; Y99-V133 HydrophobicContact CE1-CG2 3.72Å; V133-V145 HydrophobicContact CB-CB 4.14Å; V133-V145 HydrophobicContact CB-CG1 3.98Å; V133-V145 WeakPolarHBondContact CB-O 3.46Å; V133-V145 HydrophobicContact CG1-CB 4.45Å; V133-V145 HydrophobicContact CG1-CG1 4.1Å; V133-V145 HydrophobicContact CG2-CG1 4.46Å; V133-V145 PolarHBondContact N-O 3.32Å; V133-T147 HydrophobicContact CG2-CG2 4.28Å
134	E	92.9	Very high	89.9	Confident	43 Å²	43	48.5 Å²	48.5	20%	0.201	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	144.9	-175.1	-169.1	177.1	114.5	0	0	111.7	R72 Y132 Y143 L144 V145	R72-E134 IonicContact CZ-OE2 3.46Å; R72-E134 IonicContact NH1-OE2 2.83Å; R72-E134 PolarHBondContact NH1-OE2 3.01Å; Y132-E134 WeakPolarHBondContact OH-CA 3.4Å; E134-Y143 WeakPolarHBondContact OE1-CE2 3.44Å; E134-Y143 PolarHBondContact OE1-OH 3.21Å; E134-L144 CarbonylContact O-C 3.52Å; E134-L144 WeakPolarHBondContact O-CA 3.2Å; E134-L144 WeakPolarHBondContact O-CD1 3.15Å; E134-V145 HydrophobicContact CB-CB 4.32Å; E134-V145 PolarHBondContact N-O 2.79Å; E134-V145 PolarHBondContact O-N 2.73Å
135	Y	93.6	Very high	89.8	Confident	55 Å²	55	44.9 Å²	44.9	22%	0.216	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.3	161.4	163.7	-92.7	0	0	0	108	L113 Y114 A117 Y132 D142 Y143	L113-Y135 HydrophobicContact CB-CD2 4.37Å; L113-Y135 HydrophobicContact CB-CE2 4.11Å; Y114-Y135 HydrophobicContact CD2-CD1 4.34Å; Y114-Y135 AromaticContact CD2-CE1 3.67Å; Y114-Y135 HydrophobicContact CD2-CE1 3.67Å; Y114-Y135 AromaticContact CD2-CZ 3.9Å; Y114-Y135 HydrophobicContact CE2-CE1 4.47Å; A117-Y135 HydrophobicContact CB-CD2 4.21Å; A117-Y135 HydrophobicContact CB-CG 4Å; Y132-Y135 PolarHBondContact OH-N 3.35Å; Y135-D142 HydrophobicContact CE2-CB 4.04Å; Y135-D142 PolarHBondContact OH-OD1 3.04Å; Y135-D142 PolarHBondContact OH-OD2 3.41Å; Y135-Y143 WeakPolarHBondContact CA-O 3.35Å; Y135-Y143 VanDerWaalsContact CD2-O 3.28Å; Y135-Y143 WeakPolarHBondContact CD2-O 3.43Å
136	G	90.4	Very high	89.8	Confident	12 Å²	12	37.8 Å²	37.8	12%	0.124	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	174.5	175.9	0	0	0	0	0	111.8	Y143	G136-Y143 VanDerWaalsContact C-CE1 3.43Å; G136-Y143 PolarHBondContact N-O 3.3Å; G136-Y143 WeakPolarHBondContact O-CD1 3.43Å; G136-Y143 PolarHBondContact O-N 2.81Å
137	S	85.9	Confident	89.6	Confident	71 Å²	71	39 Å²	39	50%	0.497	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127	174.4	-162.4	0	0	0	0	108.2	I141 D142	S137-I141 WeakPolarHBondContact CA-O 3.45Å; S137-D142 VanDerWaalsContact CB-OD1 3.3Å; S137-D142 WeakPolarHBondContact CB-OD1 3.5Å; S137-D142 PolarHBondContact OG-OD1 3.06Å
138	Y	81	Confident	89.4	Confident	76 Å²	76	37.4 Å²	37.4	30%	0.298	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.4	179.6	-175.9	-96.6	0	0	0	109.3	L63 A70 G140 I141	L63-Y138 HydrophobicContact CD1-CD1 4.26Å; A70-Y138 HydrophobicContact CB-CD2 4.18Å; A70-Y138 HydrophobicContact CB-CG 4.47Å; Y138-G140 PolarHBondContact O-N 3.21Å; Y138-G140 VanDerWaalsContact O-N 3.13Å; Y138-I141 PolarHBondContact N-O 3.25Å; Y138-I141 WeakPolarHBondContact O-CB 3.06Å; Y138-I141 PolarHBondContact O-N 3.31Å
139	S	77.1	Confident	89.1	Confident	74 Å²	74	38.2 Å²	38.2	52%	0.517	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	32.2	-175.5	-61	0	0	0	0	113.9	I141	S139-I141 VanDerWaalsContact C-N 3.32Å
140	G	77.1	Confident	89	Confident	51 Å²	51	38.6 Å²	38.6	53%	0.526	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	7.8	-178.6	0	0	0	0	0	115.1	Y138	Y138-G140 PolarHBondContact O-N 3.21Å; Y138-G140 VanDerWaalsContact O-N 3.13Å
141	I	77.1	Confident	88.9	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.5	179.5	-59.3	168.3	0	0	0	108.5	D59 L63 V103 L105 P106 S137 Y138 S139	D59-I141 VanDerWaalsContact C-CD1 3.48Å; D59-I141 HydrophobicContact CB-CD1 3.87Å; D59-I141 WeakPolarHBondContact O-CD1 3.17Å; L63-I141 HydrophobicContact CB-CD1 3.88Å; L63-I141 HydrophobicContact CD1-CB 4.13Å; L63-I141 HydrophobicContact CD1-CG2 4.05Å; L63-I141 HydrophobicContact CD2-CG2 4.05Å; L63-I141 HydrophobicContact CG-CG2 4.46Å; V103-I141 HydrophobicContact CG1-CG2 3.52Å; L105-I141 HydrophobicContact CD2-CG2 4.32Å; P106-I141 HydrophobicContact CG-CG1 3.84Å; S137-I141 WeakPolarHBondContact CA-O 3.45Å; Y138-I141 PolarHBondContact N-O 3.25Å; Y138-I141 WeakPolarHBondContact O-CB 3.06Å; Y138-I141 PolarHBondContact O-N 3.31Å; S139-I141 VanDerWaalsContact C-N 3.32Å
142	D	85.9	Confident	88.9	Confident	26 Å²	26	35.4 Å²	35.4	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	137.7	-179.1	-78.2	5.6	0	0	0	110.5	V103 D104 L113 Y135 S137	V103-D142 WeakPolarHBondContact CA-O 3.31Å; D104-D142 PolarHBondContact N-O 2.85Å; D104-D142 PolarHBondContact O-N 2.87Å; L113-D142 HydrophobicContact CB-CB 4.46Å; L113-D142 HydrophobicContact CD1-CB 4.27Å; L113-D142 WeakPolarHBondContact CD1-O 3.41Å; Y135-D142 HydrophobicContact CE2-CB 4.04Å; Y135-D142 PolarHBondContact OH-OD1 3.04Å; Y135-D142 PolarHBondContact OH-OD2 3.41Å; S137-D142 VanDerWaalsContact CB-OD1 3.3Å; S137-D142 WeakPolarHBondContact CB-OD1 3.5Å; S137-D142 PolarHBondContact OG-OD1 3.06Å
143	Y	89.1	Confident	88.9	Confident	13 Å²	13	32.1 Å²	32.1	5%	0.051	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.1	173.6	69.3	-93.3	0	0	0	111.4	V69 A70 F73 M101 K102 E134 Y135 G136 V145	V69-Y143 HydrophobicContact CG1-CD1 4.07Å; V69-Y143 HydrophobicContact CG1-CE1 4.34Å; V69-Y143 HydrophobicContact CG1-CG 4.33Å; A70-Y143 HydrophobicContact CB-CE1 3.97Å; F73-Y143 HydrophobicContact CD2-CE2 4.43Å; F73-Y143 HydrophobicContact CE2-CE2 4.24Å; M101-Y143 HydrophobicContact CE-CD2 3.93Å; M101-Y143 HydrophobicContact CE-CG 4.34Å; K102-Y143 CarbonylContact O-C 3.5Å; K102-Y143 WeakPolarHBondContact O-CA 3.28Å; E134-Y143 WeakPolarHBondContact OE1-CE2 3.44Å; E134-Y143 PolarHBondContact OE1-OH 3.21Å; Y135-Y143 WeakPolarHBondContact CA-O 3.35Å; Y135-Y143 VanDerWaalsContact CD2-O 3.28Å; Y135-Y143 WeakPolarHBondContact CD2-O 3.43Å; G136-Y143 VanDerWaalsContact C-CE1 3.43Å; G136-Y143 PolarHBondContact N-O 3.3Å; G136-Y143 WeakPolarHBondContact O-CD1 3.43Å; G136-Y143 PolarHBondContact O-N 2.81Å; Y143-V145 HydrophobicContact CD2-CG2 3.88Å; Y143-V145 HydrophobicContact CE2-CG2 4.11Å
144	L	92.2	Very high	88.8	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	117.5	176.4	170.5	63.3	0	0	0	109.1	M101 K102 L113 E116 A117 L120 Y132 E134 L146	M101-L144 CarbonylContact C-O 3.54Å; M101-L144 WeakPolarHBondContact CA-O 3.49Å; K102-L144 HydrophobicContact CB-CB 4.3Å; K102-L144 HydrophobicContact CD-CD2 4.45Å; K102-L144 PolarHBondContact N-O 3.41Å; K102-L144 PolarHBondContact O-N 2.9Å; L113-L144 HydrophobicContact CB-CB 4.48Å; L113-L144 HydrophobicContact CD1-CB 4.36Å; L113-L144 HydrophobicContact CD2-CB 4.09Å; L113-L144 HydrophobicContact CD2-CD2 4.21Å; E116-L144 HydrophobicContact CB-CD2 4.2Å; E116-L144 HydrophobicContact CG-CD2 3.62Å; A117-L144 HydrophobicContact CB-CD1 3.96Å; L120-L144 HydrophobicContact CD1-CD2 3.98Å; Y132-L144 HydrophobicContact CD2-CD1 3.86Å; Y132-L144 HydrophobicContact CE2-CD1 3.96Å; E134-L144 CarbonylContact O-C 3.52Å; E134-L144 WeakPolarHBondContact O-CA 3.2Å; E134-L144 WeakPolarHBondContact O-CD1 3.15Å; L144-L146 HydrophobicContact CD1-CD2 3.86Å; L144-L146 HydrophobicContact CD2-CD1 4.41Å; L144-L146 HydrophobicContact CD2-CD2 4.17Å; L144-L146 HydrophobicContact CD2-CG 4.45Å; L144-L146 HydrophobicContact CG-CD2 3.87Å; L144-L146 HydrophobicContact CG-CG 4.09Å
145	V	93.3	Very high	88.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.2	177.6	-171.1	0	0	0	0	109.5	F73 V90 Y99 A100 M101 V133 E134 Y143	F73-V145 HydrophobicContact CD1-CG1 4.41Å; F73-V145 HydrophobicContact CD1-CG2 4.4Å; F73-V145 HydrophobicContact CD2-CG2 4.11Å; F73-V145 HydrophobicContact CE1-CG1 3.93Å; F73-V145 HydrophobicContact CE1-CG2 4.14Å; F73-V145 HydrophobicContact CE2-CG2 3.84Å; F73-V145 HydrophobicContact CG-CG2 4.38Å; F73-V145 HydrophobicContact CZ-CB 4.37Å; F73-V145 HydrophobicContact CZ-CG1 4.24Å; F73-V145 HydrophobicContact CZ-CG2 3.86Å; V90-V145 HydrophobicContact CG2-CG1 4.4Å; Y99-V145 HydrophobicContact CD1-CG1 4.39Å; Y99-V145 HydrophobicContact CG-CG1 3.97Å; A100-V145 CarbonylContact O-C 3.48Å; A100-V145 WeakPolarHBondContact O-CA 3.25Å; M101-V145 HydrophobicContact CE-CG2 3.7Å; M101-V145 HydrophobicContact CG-CG2 4.46Å; V133-V145 HydrophobicContact CB-CB 4.14Å; V133-V145 HydrophobicContact CB-CG1 3.98Å; V133-V145 WeakPolarHBondContact CB-O 3.46Å; V133-V145 HydrophobicContact CG1-CB 4.45Å; V133-V145 HydrophobicContact CG1-CG1 4.1Å; V133-V145 HydrophobicContact CG2-CG1 4.46Å; V133-V145 PolarHBondContact N-O 3.32Å; E134-V145 HydrophobicContact CB-CB 4.32Å; E134-V145 PolarHBondContact N-O 2.79Å; E134-V145 PolarHBondContact O-N 2.73Å; Y143-V145 HydrophobicContact CD2-CG2 3.88Å; Y143-V145 HydrophobicContact CE2-CG2 4.11Å
146	L	93.8	Very high	88.6	Confident	5 Å²	5	28.8 Å²	28.8	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	158.6	-179.1	-54.5	177.3	0	0	0	110.2	Y99 A100 K102 L120 K131 L144	Y99-L146 WeakPolarHBondContact CA-O 3.44Å; Y99-L146 WeakPolarHBondContact CB-O 3.36Å; A100-L146 PolarHBondContact N-O 2.99Å; A100-L146 PolarHBondContact O-N 3.49Å; K102-L146 HydrophobicContact CD-CD1 4.39Å; L120-L146 HydrophobicContact CD1-CD1 4.26Å; L120-L146 HydrophobicContact CD1-CD2 3.48Å; L120-L146 VanDerWaalsContact CD1-CD2 3.48Å; K131-L146 WeakPolarHBondContact O-CA 3.5Å; L144-L146 HydrophobicContact CD1-CD2 3.86Å; L144-L146 HydrophobicContact CD2-CD1 4.41Å; L144-L146 HydrophobicContact CD2-CD2 4.17Å; L144-L146 HydrophobicContact CD2-CG 4.45Å; L144-L146 HydrophobicContact CG-CD2 3.87Å; L144-L146 HydrophobicContact CG-CG 4.09Å
147	T	91.9	Very high	88.7	Confident	43 Å²	43	30 Å²	30	26%	0.264	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	144.6	168.1	54.6	0	0	0	0	111.3	K131 V133	K131-T147 HydrophobicContact CB-CG2 3.69Å; K131-T147 HydrophobicContact CD-CG2 4.43Å; K131-T147 HydrophobicContact CG-CG2 4.49Å; K131-T147 PolarHBondContact N-OG1 3.43Å; K131-T147 VanDerWaalsContact N-OG1 3.14Å; K131-T147 PolarHBondContact O-N 3.3Å; V133-T147 HydrophobicContact CG2-CG2 4.28Å
148	M	90.6	Very high	88.8	Confident	50 Å²	50	33.2 Å²	33.2	25%	0.246	19%	0.19	C	C	.	.			trans	-65	144.2	171.9	-71.7	-69.4	-64.4	0	0	111.2	I79 Q89 K98 A100 L203	I79-M148 HydrophobicContact CD1-CE 3.61Å; I79-M148 HydrophobicContact CD1-SD 3.56Å; I79-M148 VanDerWaalsContact CD1-SD 3.56Å; Q89-M148 HydrophobicContact CG-CE 4.38Å; Q89-M148 HydrophobicContact CG-SD 4.23Å; K98-M148 HydrophobicContact CB-CG 4.25Å; K98-M148 WeakPolarHBondContact O-CG 3.39Å; A100-M148 HydrophobicContact CB-SD 3.82Å; M148-L203 HydrophobicContact CB-CD1 3.74Å
149	V	91.8	Very high	89.1	Confident	38 Å²	38	34.2 Å²	34.2	23%	0.23	19%	0.193	C	C	.	.			trans	-121.8	166.9	171.5	-64.9	0	0	0	0	109.6	A200 V213	V149-A200 HydrophobicContact CB-CB 4.22Å; V149-A200 HydrophobicContact CG2-CB 3.84Å; V149-V213 HydrophobicContact CG2-CG1 3.81Å
150	G	91.5	Very high	89.3	Confident	15 Å²	15	31 Å²	31	16%	0.155	17%	0.171	C	C	.	.			trans	-74	-166.7	172	0	0	0	0	0	113.1	I201	G150-I201 VanDerWaalsContact CA-O 3.3Å; G150-I201 WeakPolarHBondContact CA-O 3.29Å; G150-I201 PolarHBondContact N-O 3.48Å
151	P	90.7	Very high	89.2	Confident	36 Å²	36	36 Å²	36	23%	0.234	18%	0.182	C	C	.	.			trans	-64.7	148.1	178.1	28	-35.3	0	0	0	112.3	T155 I156 I201	P151-T155 HydrophobicContact CB-CG2 3.77Å; P151-I156 HydrophobicContact CB-CD1 4.47Å; P151-I156 HydrophobicContact CB-CG1 3.95Å; P151-I156 HydrophobicContact CG-CD1 4.07Å; P151-I156 HydrophobicContact CG-CG1 3.68Å; P151-I156 WeakPolarHBondContact O-CD1 3.46Å; P151-I201 HydrophobicContact CG-CD1 4.07Å; P151-I201 HydrophobicContact CG-CG1 4.21Å; P151-I201 PolarHBondContact O-N 2.89Å
152	D	93.1	Very high	89.4	Confident	29 Å²	29	40.5 Å²	40.5	16%	0.155	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-71	162.1	171.5	66.6	85.1	0	0	0	112.3	T154 T155 I156 F199 A200	D152-T154 VanDerWaalsContact C-N 3.26Å; D152-T154 PolarHBondContact O-N 2.94Å; D152-T154 VanDerWaalsContact OD1-CA 3.3Å; D152-T154 WeakPolarHBondContact OD1-CA 3.33Å; D152-T154 WeakPolarHBondContact OD1-CB 3.35Å; D152-T154 PolarHBondContact OD1-N 3.48Å; D152-T155 WeakPolarHBondContact O-CB 3.26Å; D152-T155 PolarHBondContact O-N 3.47Å; D152-T155 PolarHBondContact OD1-N 3.23Å; D152-T155 PolarHBondContact OD1-OG1 3.33Å; D152-T155 WeakPolarHBondContact OD2-CB 3.48Å; D152-T155 PolarHBondContact OD2-OG1 2.79Å; D152-I156 WeakPolarHBondContact O-CG1 3.43Å; D152-I156 PolarHBondContact O-N 2.94Å; D152-F199 CarbonylContact C-O 3.58Å; D152-F199 VanDerWaalsContact CA-O 3.28Å; D152-F199 WeakPolarHBondContact CA-O 3.46Å; D152-A200 HydrophobicContact CB-CB 4.42Å
153	L	94.2	Very high	89.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-29.8	-178	-65.7	178.8	0	0	0	112.9	I156 R157 I173 P196 F199 I210 L271 L347	L153-I156 HydrophobicContact CD2-CD1 4.24Å; L153-R157 WeakPolarHBondContact O-CB 3.48Å; L153-R157 PolarHBondContact O-N 2.77Å; L153-I173 HydrophobicContact CD1-CG2 3.68Å; L153-I173 HydrophobicContact CD2-CD1 4.15Å; L153-I173 HydrophobicContact CD2-CG1 4.49Å; L153-P196 HydrophobicContact CB-CB 3.73Å; L153-P196 WeakPolarHBondContact CB-O 3.27Å; L153-P196 PolarHBondContact N-O 3.05Å; L153-F199 HydrophobicContact CD1-CB 3.75Å; L153-F199 HydrophobicContact CG-CB 4.11Å; L153-F199 PolarHBondContact N-O 3.38Å; L153-I210 HydrophobicContact CD2-CD1 4.46Å; L153-L271 HydrophobicContact CD1-CD1 4.27Å; L153-L347 HydrophobicContact CD2-CD1 3.94Å
154	T	92.6	Very high	89.2	Confident	15 Å²	15	49 Å²	49	9%	0.092	24%	0.24	C	C	.	.	H	α-helix	trans	-67.4	-41.9	173	-83.9	0	0	0	0	110.8	D152 R157 K158 P196 E197	D152-T154 VanDerWaalsContact C-N 3.26Å; D152-T154 PolarHBondContact O-N 2.94Å; D152-T154 VanDerWaalsContact OD1-CA 3.3Å; D152-T154 WeakPolarHBondContact OD1-CA 3.33Å; D152-T154 WeakPolarHBondContact OD1-CB 3.35Å; D152-T154 PolarHBondContact OD1-N 3.48Å; T154-R157 PolarHBondContact O-N 3.11Å; T154-K158 WeakPolarHBondContact O-CG 3.44Å; T154-K158 PolarHBondContact O-N 3.4Å; T154-P196 WeakPolarHBondContact OG1-CB 3.47Å; T154-E197 HydrophobicContact CG2-CG 4.3Å; T154-E197 PolarHBondContact OG1-OE1 3.47Å
155	T	90.5	Very high	89.2	Confident	50 Å²	50	49.4 Å²	49.4	31%	0.307	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-42.5	176.3	-65.9	0	0	0	0	111.6	P151 D152 K158	P151-T155 HydrophobicContact CB-CG2 3.77Å; D152-T155 WeakPolarHBondContact O-CB 3.26Å; D152-T155 PolarHBondContact O-N 3.47Å; D152-T155 PolarHBondContact OD1-N 3.23Å; D152-T155 PolarHBondContact OD1-OG1 3.33Å; D152-T155 WeakPolarHBondContact OD2-CB 3.48Å; D152-T155 PolarHBondContact OD2-OG1 2.79Å; T155-K158 PolarHBondContact O-N 3.4Å
156	I	91.6	Very high	89.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66	-45.1	176.4	-62.9	157.2	0	0	0	110.5	P151 D152 L153 K158 R159 F165 I201 L347 V352	P151-I156 HydrophobicContact CB-CD1 4.47Å; P151-I156 HydrophobicContact CB-CG1 3.95Å; P151-I156 HydrophobicContact CG-CD1 4.07Å; P151-I156 HydrophobicContact CG-CG1 3.68Å; P151-I156 WeakPolarHBondContact O-CD1 3.46Å; D152-I156 WeakPolarHBondContact O-CG1 3.43Å; D152-I156 PolarHBondContact O-N 2.94Å; L153-I156 HydrophobicContact CD2-CD1 4.24Å; I156-K158 PolarHBondContact O-N 3Å; I156-K158 VanDerWaalsContact O-N 3.14Å; I156-R159 VanDerWaalsContact O-CB 3.3Å; I156-R159 WeakPolarHBondContact O-CB 3.39Å; I156-R159 PolarHBondContact O-N 3.39Å; I156-F165 HydrophobicContact CB-CZ 4.24Å; I156-F165 HydrophobicContact CG2-CE1 4.01Å; I156-F165 HydrophobicContact CG2-CZ 3.81Å; I156-I201 HydrophobicContact CD1-CD1 4.01Å; I156-I201 HydrophobicContact CD1-CG1 4.08Å; I156-I201 HydrophobicContact CD1-CG2 3.74Å; I156-L347 HydrophobicContact CD1-CB 4.14Å; I156-L347 HydrophobicContact CG2-CB 4.11Å; I156-L347 HydrophobicContact CG2-CD2 3.91Å; I156-V352 HydrophobicContact CG2-CG1 4.46Å; I156-V352 HydrophobicContact CG2-CG2 3.79Å
157	R	91.4	Very high	89.1	Confident	39 Å²	39	51.8 Å²	51.8	15%	0.147	26%	0.255	C	S	.	.	H	α-helix	trans	-54.6	-35.5	179.4	-179.5	169.2	71.1	153.4	-13.3	112.7	L153 T154 R159 A160 R163 F165 D270	L153-R157 WeakPolarHBondContact O-CB 3.48Å; L153-R157 PolarHBondContact O-N 2.77Å; T154-R157 PolarHBondContact O-N 3.11Å; R157-R159 PolarHBondContact O-N 2.98Å; R157-A160 WeakPolarHBondContact O-CB 3.35Å; R157-A160 PolarHBondContact O-N 3.39Å; R157-A160 VanDerWaalsContact O-N 3.1Å; R157-R163 WeakPolarHBondContact CD-O 3.07Å; R157-R163 HydrophobicContact CG-CB 4.45Å; R157-R163 WeakPolarHBondContact CG-O 3.14Å; R157-R163 WeakPolarHBondContact O-CA 3.49Å; R157-F165 HydrophobicContact CB-CE1 4.42Å; R157-F165 HydrophobicContact CB-CE2 4.25Å; R157-F165 HydrophobicContact CB-CZ 3.87Å; R157-D270 IonicContact CZ-OD2 2.57Å; R157-D270 VanDerWaalsContact CZ-OD2 3.32Å; R157-D270 VanDerWaalsContact NH1-CG 3.27Å; R157-D270 PolarHBondContact NH1-O 3.01Å; R157-D270 IonicContact NH1-OD1 3.66Å; R157-D270 PolarHBondContact NH1-OD1 2.72Å; R157-D270 IonicContact NH1-OD2 3.11Å; R157-D270 PolarHBondContact NH1-OD2 2.95Å; R157-D270 IonicContact NH2-OD2 3.24Å; R157-D270 PolarHBondContact NH2-OD2 3.47Å
158	K	88.5	Confident	89.2	Confident	138 Å²	138	50 Å²	50	60%	0.6	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.9	177	-71.2	169.3	-175.3	170.4	0	114	T154 T155 I156	T154-K158 WeakPolarHBondContact O-CG 3.44Å; T154-K158 PolarHBondContact O-N 3.4Å; T155-K158 PolarHBondContact O-N 3.4Å; I156-K158 PolarHBondContact O-N 3Å; I156-K158 VanDerWaalsContact O-N 3.14Å
159	R	87.1	Confident	89.4	Confident	96 Å²	96	47.9 Å²	47.9	36%	0.362	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.3	177.6	-53.3	176.5	-171	172.2	-0.3	112.6	I156 R157 V352	I156-R159 VanDerWaalsContact O-CB 3.3Å; I156-R159 WeakPolarHBondContact O-CB 3.39Å; I156-R159 PolarHBondContact O-N 3.39Å; R157-R159 PolarHBondContact O-N 2.98Å; R159-V352 HydrophobicContact CB-CG2 4.23Å
160	A	82.4	Confident	89.6	Confident	7 Å²	7	46.1 Å²	46.1	6%	0.058	22%	0.224	C	C	.	.	S	Bend	trans	-72.6	141.2	177.2	0	0	0	0	0	111	R157 D162 R163 N164 F165	R157-A160 WeakPolarHBondContact O-CB 3.35Å; R157-A160 PolarHBondContact O-N 3.39Å; R157-A160 VanDerWaalsContact O-N 3.1Å; A160-D162 VanDerWaalsContact C-N 3.28Å; A160-D162 PolarHBondContact O-N 3.33Å; A160-D162 VanDerWaalsContact O-N 3.14Å; A160-R163 PolarHBondContact O-N 3.31Å; A160-N164 WeakPolarHBondContact CB-O 3.06Å; A160-F165 HydrophobicContact CB-CD1 4.44Å; A160-F165 HydrophobicContact CB-CE1 4.46Å
161	M	74.5	Confident	89.9	Confident	155 Å²	155	45.4 Å²	45.4	76%	0.764	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-41.1	-173.2	-174.5	176	-173.3	0	0	114.1	T353	M161-T353 HydrophobicContact CB-CG2 3.58Å
162	D	80.1	Confident	90.2	Very high	95 Å²	95	45 Å²	45	51%	0.508	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	10.5	178.1	-60.9	-39.8	0	0	0	113.1	A160 N164 K356	A160-D162 VanDerWaalsContact C-N 3.28Å; A160-D162 PolarHBondContact O-N 3.33Å; A160-D162 VanDerWaalsContact O-N 3.14Å; D162-N164 PolarHBondContact O-N 3.01Å; D162-N164 PolarHBondContact O-OD1 3.3Å; D162-K356 IonicContact OD2-NZ 2.88Å; D162-K356 PolarHBondContact OD2-NZ 3.32Å
163	R	83.2	Confident	90.4	Very high	173 Å²	173	43.6 Å²	43.6	65%	0.653	20%	0.203	S	C	*	.	S	Bend	trans	56.8	28.6	-168.6	-53.5	-178	176.8	-176.6	1	113.9	R157 A160	R157-R163 WeakPolarHBondContact CD-O 3.07Å; R157-R163 HydrophobicContact CG-CB 4.45Å; R157-R163 WeakPolarHBondContact CG-O 3.14Å; R157-R163 WeakPolarHBondContact O-CA 3.49Å; A160-R163 PolarHBondContact O-N 3.31Å
164	N	88.4	Confident	90.6	Very high	45 Å²	45	43.6 Å²	43.6	24%	0.241	20%	0.203	C	C	.	.			trans	-129.9	148.9	176.2	-64.2	26.2	0	0	0	109	A160 D162 L271 Y272 L273 G274	A160-N164 WeakPolarHBondContact CB-O 3.06Å; D162-N164 PolarHBondContact O-N 3.01Å; D162-N164 PolarHBondContact O-OD1 3.3Å; N164-L271 WeakPolarHBondContact CA-O 3.44Å; N164-Y272 WeakPolarHBondContact CB-O 3.36Å; N164-Y272 PolarHBondContact ND2-O 3.36Å; N164-L273 PolarHBondContact ND2-O 3.32Å; N164-G274 PolarHBondContact ND2-N 3.15Å; N164-G274 VanDerWaalsContact ND2-N 3.12Å; N164-G274 VanDerWaalsContact OD1-CA 3.3Å; N164-G274 WeakPolarHBondContact OD1-CA 3.5Å
165	F	91.8	Very high	90.8	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.035	20%	0.201	C	C	.	.			trans	-91.3	156.2	167.8	-62	-42.5	0	0	0	110.5	I156 R157 A160 T169 V170 I173 L271 Y272 L347 V352	I156-F165 HydrophobicContact CB-CZ 4.24Å; I156-F165 HydrophobicContact CG2-CE1 4.01Å; I156-F165 HydrophobicContact CG2-CZ 3.81Å; R157-F165 HydrophobicContact CB-CE1 4.42Å; R157-F165 HydrophobicContact CB-CE2 4.25Å; R157-F165 HydrophobicContact CB-CZ 3.87Å; A160-F165 HydrophobicContact CB-CD1 4.44Å; A160-F165 HydrophobicContact CB-CE1 4.46Å; F165-T169 HydrophobicContact CB-CG2 4.02Å; F165-T169 HydrophobicContact CD1-CG2 4.46Å; F165-T169 HydrophobicContact CG-CG2 4.1Å; F165-V170 HydrophobicContact CB-CG2 3.68Å; F165-V170 HydrophobicContact CD2-CG2 4.5Å; F165-I173 HydrophobicContact CD2-CD1 3.68Å; F165-I173 HydrophobicContact CE2-CD1 3.84Å; F165-L271 HydrophobicContact CD2-CB 4.09Å; F165-L271 HydrophobicContact CD2-CD1 4.38Å; F165-L271 HydrophobicContact CD2-CD2 4.11Å; F165-L271 HydrophobicContact CD2-CG 4.42Å; F165-L271 HydrophobicContact CE2-CD1 4.47Å; F165-L271 HydrophobicContact CE2-CD2 3.89Å; F165-L271 PolarHBondContact N-O 3.35Å; F165-Y272 WeakPolarHBondContact O-CD2 3.47Å; F165-L347 HydrophobicContact CE1-CD2 4.09Å; F165-L347 HydrophobicContact CZ-CD2 4.16Å; F165-V352 HydrophobicContact CD1-CG1 4.03Å; F165-V352 HydrophobicContact CE1-CG1 3.8Å
166	D	91.2	Very high	91.2	Very high	32 Å²	32	42.3 Å²	42.3	17%	0.171	19%	0.192	C	C	.	.			trans	-69.6	162.1	168.5	70.5	93.3	0	0	0	111	G168 T169 V170 L355	D166-G168 VanDerWaalsContact C-N 3.3Å; D166-G168 PolarHBondContact O-N 3.5Å; D166-G168 WeakPolarHBondContact OD1-CA 3.21Å; D166-G168 PolarHBondContact OD1-N 3.04Å; D166-T169 PolarHBondContact O-N 3.35Å; D166-T169 PolarHBondContact OD1-N 2.9Å; D166-T169 VanDerWaalsContact OD2-CB 3.23Å; D166-T169 WeakPolarHBondContact OD2-CB 3.42Å; D166-T169 PolarHBondContact OD2-OG1 2.65Å; D166-V170 WeakPolarHBondContact O-CG2 3.32Å; D166-V170 PolarHBondContact O-N 3.32Å; D166-L355 HydrophobicContact CB-CB 4.4Å; D166-L355 WeakPolarHBondContact OD2-CB 3.39Å
167	L	94.1	Very high	91.5	Very high	24 Å²	24	42.3 Å²	42.3	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-35.9	-175.9	-176.4	58.6	0	0	0	112.8	V170 L171 Y272 M303 P304 L339	L167-V170 PolarHBondContact O-N 2.86Å; L167-L171 HydrophobicContact CD1-CD1 4.45Å; L167-L171 HydrophobicContact CD1-CG 4.33Å; L167-L171 HydrophobicContact CG-CD1 4.16Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 2.87Å; L167-Y272 HydrophobicContact CB-CD2 4.13Å; L167-Y272 HydrophobicContact CB-CE2 3.69Å; L167-Y272 HydrophobicContact CD1-CD1 4.29Å; L167-Y272 HydrophobicContact CD1-CD2 4.45Å; L167-Y272 HydrophobicContact CD1-CE1 4.25Å; L167-Y272 HydrophobicContact CD1-CE2 4.45Å; L167-Y272 HydrophobicContact CD1-CG 4.39Å; L167-M303 HydrophobicContact CD1-CE 4.08Å; L167-M303 HydrophobicContact CD1-CG 4.01Å; L167-P304 HydrophobicContact CD2-CG 4.43Å; L167-L339 HydrophobicContact CB-CD1 4.1Å; L167-L339 HydrophobicContact CD2-CD1 3.47Å; L167-L339 VanDerWaalsContact CD2-CD1 3.47Å; L167-L339 HydrophobicContact CG-CD1 3.54Å
168	G	94.6	Very high	91.9	Very high	6 Å²	6	40.5 Å²	40.5	6%	0.062	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-47.2	179	0	0	0	0	0	111.4	D166 V170 L171 R172 A341	D166-G168 VanDerWaalsContact C-N 3.3Å; D166-G168 PolarHBondContact O-N 3.5Å; D166-G168 WeakPolarHBondContact OD1-CA 3.21Å; D166-G168 PolarHBondContact OD1-N 3.04Å; G168-V170 PolarHBondContact O-N 2.95Å; G168-L171 PolarHBondContact O-N 3.07Å; G168-R172 WeakPolarHBondContact O-CG 3.45Å; G168-R172 PolarHBondContact O-N 2.81Å; G168-R172 VanDerWaalsContact O-N 3.07Å; G168-A341 VanDerWaalsContact CA-CB 3.46Å
169	T	93.8	Very high	92.3	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-45.9	173	-63.1	0	0	0	0	111.6	F165 D166 L171 R172 I173 L345 L347 L355	F165-T169 HydrophobicContact CB-CG2 4.02Å; F165-T169 HydrophobicContact CD1-CG2 4.46Å; F165-T169 HydrophobicContact CG-CG2 4.1Å; D166-T169 PolarHBondContact O-N 3.35Å; D166-T169 PolarHBondContact OD1-N 2.9Å; D166-T169 VanDerWaalsContact OD2-CB 3.23Å; D166-T169 WeakPolarHBondContact OD2-CB 3.42Å; D166-T169 PolarHBondContact OD2-OG1 2.65Å; T169-L171 VanDerWaalsContact C-N 3.35Å; T169-L171 PolarHBondContact O-N 2.88Å; T169-R172 PolarHBondContact O-N 3.46Å; T169-I173 HydrophobicContact CG2-CD1 3.87Å; T169-I173 HydrophobicContact CG2-CG1 4.45Å; T169-I173 WeakPolarHBondContact O-CG1 3.06Å; T169-I173 PolarHBondContact O-N 2.79Å; T169-L345 HydrophobicContact CG2-CD2 4.18Å; T169-L347 HydrophobicContact CG2-CD2 3.99Å; T169-L355 WeakPolarHBondContact OG1-CD1 3.31Å
170	V	96.2	Very high	92.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-38.4	179.5	170.4	0	0	0	0	112.6	F165 D166 L167 G168 I173 G174 M268 L271 M303	F165-V170 HydrophobicContact CB-CG2 3.68Å; F165-V170 HydrophobicContact CD2-CG2 4.5Å; D166-V170 WeakPolarHBondContact O-CG2 3.32Å; D166-V170 PolarHBondContact O-N 3.32Å; L167-V170 PolarHBondContact O-N 2.86Å; G168-V170 PolarHBondContact O-N 2.95Å; V170-I173 PolarHBondContact O-N 2.82Å; V170-G174 PolarHBondContact O-N 3.17Å; V170-M268 HydrophobicContact CG1-CB 3.66Å; V170-M268 HydrophobicContact CG1-CE 4.15Å; V170-M268 HydrophobicContact CG1-CG 4.06Å; V170-M268 WeakPolarHBondContact CG1-O 3.35Å; V170-L271 HydrophobicContact CG2-CB 3.99Å; V170-M303 HydrophobicContact CG1-CE 4.15Å
171	L	97.6	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-42.9	175.6	-70.8	167.7	0	0	0	111.5	L167 G168 T169 G174 I175 M268 I307 L332 A335 A336 L339	L167-L171 HydrophobicContact CD1-CD1 4.45Å; L167-L171 HydrophobicContact CD1-CG 4.33Å; L167-L171 HydrophobicContact CG-CD1 4.16Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 2.87Å; G168-L171 PolarHBondContact O-N 3.07Å; T169-L171 VanDerWaalsContact C-N 3.35Å; T169-L171 PolarHBondContact O-N 2.88Å; L171-G174 WeakPolarHBondContact O-CA 3.24Å; L171-G174 PolarHBondContact O-N 2.97Å; L171-G174 VanDerWaalsContact O-N 3.14Å; L171-I175 VanDerWaalsContact O-CG1 3.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.27Å; L171-I175 PolarHBondContact O-N 3.35Å; L171-M268 HydrophobicContact CD2-CE 4.11Å; L171-I307 HydrophobicContact CD2-CD1 3.85Å; L171-L332 HydrophobicContact CD2-CD2 4Å; L171-A335 HydrophobicContact CD1-CB 4.03Å; L171-A335 HydrophobicContact CD2-CB 4.12Å; L171-A336 HydrophobicContact CB-CB 3.94Å; L171-A336 HydrophobicContact CD1-CB 4.35Å; L171-L339 HydrophobicContact CD1-CD1 3.58Å; L171-L339 HydrophobicContact CD1-CG 4.49Å
172	R	96.8	Very high	94.7	Very high	27 Å²	27	26.5 Å²	26.5	10%	0.102	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-39.6	176.3	-68.5	-70.7	-175.5	-147.8	-7.4	112.3	G168 T169 G174 I175 Q176 D337 A341 P342 L345	G168-R172 WeakPolarHBondContact O-CG 3.45Å; G168-R172 PolarHBondContact O-N 2.81Å; G168-R172 VanDerWaalsContact O-N 3.07Å; T169-R172 PolarHBondContact O-N 3.46Å; R172-G174 VanDerWaalsContact C-N 3.35Å; R172-I175 PolarHBondContact O-N 3.29Å; R172-Q176 PolarHBondContact O-N 3.03Å; R172-D337 IonicContact CZ-OD1 3.84Å; R172-D337 IonicContact NH1-OD1 2.65Å; R172-D337 IonicContact NH2-OD1 3.57Å; R172-D337 PolarHBondContact NH2-OD1 2.82Å; R172-A341 HydrophobicContact CG-CB 4.38Å; R172-A341 PolarHBondContact NE-O 2.83Å; R172-A341 PolarHBondContact NH2-O 2.75Å; R172-P342 WeakPolarHBondContact CG-O 3.36Å; R172-P342 PolarHBondContact NE-O 2.99Å; R172-P342 VanDerWaalsContact NE-O 3.08Å; R172-L345 HydrophobicContact CB-CD2 3.5Å; R172-L345 VanDerWaalsContact CB-CD2 3.5Å; R172-L345 HydrophobicContact CB-CG 4.29Å
173	I	97.5	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59	-48.4	169.4	-70.6	167.4	0	0	0	110.1	L153 F165 T169 V170 I175 Q176 C177 I210 L271 L345 L347	L153-I173 HydrophobicContact CD1-CG2 3.68Å; L153-I173 HydrophobicContact CD2-CD1 4.15Å; L153-I173 HydrophobicContact CD2-CG1 4.49Å; F165-I173 HydrophobicContact CD2-CD1 3.68Å; F165-I173 HydrophobicContact CE2-CD1 3.84Å; T169-I173 HydrophobicContact CG2-CD1 3.87Å; T169-I173 HydrophobicContact CG2-CG1 4.45Å; T169-I173 WeakPolarHBondContact O-CG1 3.06Å; T169-I173 PolarHBondContact O-N 2.79Å; V170-I173 PolarHBondContact O-N 2.82Å; I173-I175 VanDerWaalsContact C-N 3.33Å; I173-I175 PolarHBondContact O-N 3.2Å; I173-Q176 PolarHBondContact O-N 3.44Å; I173-C177 WeakPolarHBondContact O-CB 3.44Å; I173-C177 PolarHBondContact O-N 3.1Å; I173-C177 PolarHBondContact O-SG 2.64Å; I173-I210 HydrophobicContact CB-CD1 4.05Å; I173-I210 HydrophobicContact CG1-CD1 3.77Å; I173-I210 HydrophobicContact CG2-CD1 4.04Å; I173-L271 HydrophobicContact CD1-CD1 4.36Å; I173-L271 HydrophobicContact CG2-CD1 4.18Å; I173-L345 HydrophobicContact CG1-CD2 4.04Å; I173-L347 HydrophobicContact CD1-CD1 4.26Å; I173-L347 HydrophobicContact CG1-CD1 4.27Å
174	G	98.2	Very high	96.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.6	-40.5	-178.8	0	0	0	0	0	113.5	V170 L171 R172 C177 A178	V170-G174 PolarHBondContact O-N 3.17Å; L171-G174 WeakPolarHBondContact O-CA 3.24Å; L171-G174 PolarHBondContact O-N 2.97Å; L171-G174 VanDerWaalsContact O-N 3.14Å; R172-G174 VanDerWaalsContact C-N 3.35Å; G174-C177 PolarHBondContact O-N 2.84Å; G174-A178 WeakPolarHBondContact O-CB 3.48Å; G174-A178 PolarHBondContact O-N 3.44Å
175	I	98.3	Very high	96.5	Very high	12 Å²	12	13.1 Å²	13.1	6%	0.062	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-56.1	176.6	-69.1	161.2	0	0	0	110.5	L171 R172 I173 C177 A178 E179 I329 L332 A336	L171-I175 VanDerWaalsContact O-CG1 3.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.27Å; L171-I175 PolarHBondContact O-N 3.35Å; R172-I175 PolarHBondContact O-N 3.29Å; I173-I175 VanDerWaalsContact C-N 3.33Å; I173-I175 PolarHBondContact O-N 3.2Å; I175-C177 VanDerWaalsContact C-N 3.31Å; I175-C177 PolarHBondContact O-N 3.13Å; I175-A178 WeakPolarHBondContact O-CB 3.31Å; I175-A178 PolarHBondContact O-N 2.91Å; I175-A178 VanDerWaalsContact O-N 3.09Å; I175-E179 WeakPolarHBondContact O-CG 3.37Å; I175-E179 PolarHBondContact O-N 3.04Å; I175-I329 HydrophobicContact CG2-CG2 4.31Å; I175-L332 HydrophobicContact CD1-CB 4.44Å; I175-L332 HydrophobicContact CG1-CB 3.65Å; I175-A336 HydrophobicContact CD1-CB 4.16Å
176	Q	98.3	Very high	96.6	Very high	26 Å²	26	19.6 Å²	19.6	12%	0.121	10%	0.102	C	C	.	.	H	α-helix	trans	-63.8	-37	-178.4	-66.3	-166.9	44.1	0	0	112.5	H128 R172 I173 A178 E179 A180 D208 I210	H128-Q176 PolarHBondContact CE1-OE1 3.2Å; R172-Q176 PolarHBondContact O-N 3.03Å; I173-Q176 PolarHBondContact O-N 3.44Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; Q176-E179 WeakPolarHBondContact CA-OE2 3.35Å; Q176-E179 PolarHBondContact O-N 3.04Å; Q176-A180 WeakPolarHBondContact O-CB 3.33Å; Q176-A180 PolarHBondContact O-N 3.43Å; Q176-D208 PolarHBondContact NE2-O 3.43Å; Q176-D208 PolarHBondContact OE1-O 3.49Å; Q176-I210 HydrophobicContact CB-CB 4.21Å; Q176-I210 HydrophobicContact CB-CD1 4.44Å
177	C	98.5	Very high	96.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.5	-37.3	175.3	-63.8	0	0	0	0	111.8	I173 G174 I175 A180 L181 F199 L264 M267	I173-C177 WeakPolarHBondContact O-CB 3.44Å; I173-C177 PolarHBondContact O-N 3.1Å; I173-C177 PolarHBondContact O-SG 2.64Å; G174-C177 PolarHBondContact O-N 2.84Å; I175-C177 VanDerWaalsContact C-N 3.31Å; I175-C177 PolarHBondContact O-N 3.13Å; C177-A180 PolarHBondContact O-N 3.47Å; C177-L181 WeakPolarHBondContact O-CB 3.33Å; C177-L181 VanDerWaalsContact O-CG 3.26Å; C177-L181 WeakPolarHBondContact O-CG 3.35Å; C177-L181 PolarHBondContact O-N 3.39Å; C177-F199 HydrophobicContact CB-CD1 4.46Å; C177-F199 HydrophobicContact CB-CE1 3.99Å; C177-F199 HydrophobicContact CB-CZ 4.26Å; C177-L264 HydrophobicContact CB-CD1 3.53Å; C177-L264 HydrophobicContact CB-CD2 4.28Å; C177-M267 HydrophobicContact CB-CE 4.43Å
178	A	98.5	Very high	96.7	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.017	9%	0.091	C	C	.	.	H	α-helix	trans	-67.6	-39	175.6	0	0	0	0	0	111.9	G174 I175 Q176 L181 S182 L264 I329	G174-A178 WeakPolarHBondContact O-CB 3.48Å; G174-A178 PolarHBondContact O-N 3.44Å; I175-A178 WeakPolarHBondContact O-CB 3.31Å; I175-A178 PolarHBondContact O-N 2.91Å; I175-A178 VanDerWaalsContact O-N 3.09Å; Q176-A178 VanDerWaalsContact C-N 3.34Å; A178-L181 PolarHBondContact O-N 2.99Å; A178-S182 WeakPolarHBondContact O-CB 3.3Å; A178-S182 PolarHBondContact O-N 2.69Å; A178-L264 HydrophobicContact CB-CD2 3.9Å; A178-I329 HydrophobicContact CB-CG1 3.77Å
179	E	98.3	Very high	96.8	Very high	71 Å²	71	17.1 Å²	17.1	33%	0.332	9%	0.089	S	C	.	.	H	α-helix	trans	-61.1	-45.7	172.3	-70.3	167.9	155.7	0	0	111.2	H128 I175 Q176 S182 A183 I329	H128-E179 IonicContact CE1-OE2 2.73Å; H128-E179 IonicContact NE2-OE2 2.79Å; H128-E179 PolarHBondContact NE2-OE2 3.33Å; I175-E179 WeakPolarHBondContact O-CG 3.37Å; I175-E179 PolarHBondContact O-N 3.04Å; Q176-E179 WeakPolarHBondContact CA-OE2 3.35Å; Q176-E179 PolarHBondContact O-N 3.04Å; E179-S182 WeakPolarHBondContact O-CB 3.21Å; E179-S182 PolarHBondContact O-N 3.48Å; E179-A183 PolarHBondContact O-N 3.06Å; E179-A183 VanDerWaalsContact O-N 3.16Å; E179-I329 HydrophobicContact CG-CD1 3.81Å; E179-I329 HydrophobicContact CG-CG1 4.27Å; E179-I329 HydrophobicContact CG-CG2 4.38Å
180	A	98.2	Very high	96.9	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-59	-49.2	175.2	0	0	0	0	0	111.9	H128 Q176 C177 S182 A183 V184 I212	H128-A180 HydrophobicContact CB-CB 3.47Å; H128-A180 VanDerWaalsContact CB-CB 3.47Å; Q176-A180 WeakPolarHBondContact O-CB 3.33Å; Q176-A180 PolarHBondContact O-N 3.43Å; C177-A180 PolarHBondContact O-N 3.47Å; A180-S182 VanDerWaalsContact C-N 3.3Å; A180-S182 PolarHBondContact O-N 3.33Å; A180-A183 PolarHBondContact O-N 3.26Å; A180-V184 WeakPolarHBondContact O-CG2 3.41Å; A180-V184 PolarHBondContact O-N 3.49Å; A180-V184 VanDerWaalsContact O-N 3.1Å; A180-I212 HydrophobicContact CB-CD1 3.73Å; A180-I212 HydrophobicContact CB-CG1 4.05Å
181	L	98.4	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.5	-33.5	178.6	-70.2	173.1	0	0	0	112.2	C177 A178 A183 V184 H185 L191 V194 D260 I261 L264	C177-L181 WeakPolarHBondContact O-CB 3.33Å; C177-L181 VanDerWaalsContact O-CG 3.26Å; C177-L181 WeakPolarHBondContact O-CG 3.35Å; C177-L181 PolarHBondContact O-N 3.39Å; A178-L181 PolarHBondContact O-N 2.99Å; L181-A183 VanDerWaalsContact C-N 3.35Å; L181-A183 PolarHBondContact O-N 3.07Å; L181-V184 PolarHBondContact O-N 3.32Å; L181-H185 WeakPolarHBondContact O-CB 3.44Å; L181-H185 PolarHBondContact O-CD2 2.63Å; L181-H185 PolarHBondContact O-N 3.1Å; L181-H185 PolarHBondContact O-ND1 3.42Å; L181-L191 HydrophobicContact CD2-CB 4.06Å; L181-L191 HydrophobicContact CD2-CD2 3.96Å; L181-V194 HydrophobicContact CD1-CG1 4.48Å; L181-V194 HydrophobicContact CD1-CG2 4.1Å; L181-V194 HydrophobicContact CD2-CG2 3.87Å; L181-D260 HydrophobicContact CD1-CB 4.23Å; L181-D260 HydrophobicContact CD2-CB 4.11Å; L181-I261 HydrophobicContact CB-CD1 4.29Å; L181-I261 HydrophobicContact CD1-CD1 3.96Å; L181-L264 HydrophobicContact CD1-CB 4.22Å; L181-L264 HydrophobicContact CD1-CD2 4.22Å
182	S	97.5	Very high	96.9	Very high	29 Å²	29	18.8 Å²	18.8	20%	0.203	9%	0.094	C	C	.	.	H	α-helix	trans	-56.9	-49	172.1	-167.1	0	0	0	0	111.2	A178 E179 A180 V184 H185 E186 H325	A178-S182 WeakPolarHBondContact O-CB 3.3Å; A178-S182 PolarHBondContact O-N 2.69Å; E179-S182 WeakPolarHBondContact O-CB 3.21Å; E179-S182 PolarHBondContact O-N 3.48Å; A180-S182 VanDerWaalsContact C-N 3.3Å; A180-S182 PolarHBondContact O-N 3.33Å; S182-V184 PolarHBondContact O-N 3Å; S182-H185 PolarHBondContact O-N 3.21Å; S182-E186 WeakPolarHBondContact O-CB 3.4Å; S182-E186 PolarHBondContact O-N 2.9Å; S182-H325 WeakPolarHBondContact CA-CD2 3.28Å; S182-H325 WeakPolarHBondContact OG-CB 3.35Å
183	A	96.9	Very high	96.8	Very high	22 Å²	22	18.6 Å²	18.6	18%	0.182	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-41.8	177.8	0	0	0	0	0	112.3	L123 C126 E179 A180 L181 H185 E186 A187	L123-A183 HydrophobicContact CD2-CB 4.15Å; L123-A183 WeakPolarHBondContact CD2-O 3.47Å; C126-A183 HydrophobicContact CB-CB 4.14Å; C126-A183 VanDerWaalsContact SG-CB 3.59Å; E179-A183 PolarHBondContact O-N 3.06Å; E179-A183 VanDerWaalsContact O-N 3.16Å; A180-A183 PolarHBondContact O-N 3.26Å; L181-A183 VanDerWaalsContact C-N 3.35Å; L181-A183 PolarHBondContact O-N 3.07Å; A183-H185 PolarHBondContact O-N 2.78Å; A183-E186 PolarHBondContact O-N 2.91Å; A183-A187 WeakPolarHBondContact O-CB 3.14Å; A183-A187 PolarHBondContact O-N 2.99Å
184	V	97	Very high	96.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-46.1	175.9	177	0	0	0	0	111.6	L123 A180 L181 S182 A187 G188 F189 I212 F215	L123-V184 HydrophobicContact CD1-CG2 3.89Å; A180-V184 WeakPolarHBondContact O-CG2 3.41Å; A180-V184 PolarHBondContact O-N 3.49Å; A180-V184 VanDerWaalsContact O-N 3.1Å; L181-V184 PolarHBondContact O-N 3.32Å; S182-V184 PolarHBondContact O-N 3Å; V184-A187 PolarHBondContact O-N 2.67Å; V184-G188 PolarHBondContact O-N 2.88Å; V184-F189 CarbonylContact C-O 3.48Å; V184-F189 HydrophobicContact CG1-CB 3.84Å; V184-F189 PolarHBondContact O-N 3.25Å; V184-F189 VanDerWaalsContact O-N 3.07Å; V184-I212 HydrophobicContact CG2-CD1 3.79Å; V184-F215 HydrophobicContact CG2-CE1 3.78Å
185	H	95.8	Very high	96.8	Very high	10 Å²	10	21.6 Å²	21.6	5%	0.046	11%	0.107	C	C	.	.	H	α-helix	trans	-69.1	-39.8	-178.7	-60.6	172.8	0	0	0	111.5	L181 S182 A183 A187 G188 F189 P257 D260 H325	L181-H185 WeakPolarHBondContact O-CB 3.44Å; L181-H185 PolarHBondContact O-CD2 2.63Å; L181-H185 PolarHBondContact O-N 3.1Å; L181-H185 PolarHBondContact O-ND1 3.42Å; S182-H185 PolarHBondContact O-N 3.21Å; A183-H185 PolarHBondContact O-N 2.78Å; H185-A187 VanDerWaalsContact C-N 3.33Å; H185-A187 PolarHBondContact O-N 3.07Å; H185-G188 PolarHBondContact O-N 3.32Å; H185-F189 VanDerWaalsContact CA-O 3.31Å; H185-F189 WeakPolarHBondContact CA-O 3.48Å; H185-F189 PolarHBondContact CD2-O 3.36Å; H185-F189 VanDerWaalsContact CD2-O 3.26Å; H185-P257 HydrophobicContact CB-CB 4.33Å; H185-P257 HydrophobicContact CB-CG 4.25Å; H185-P257 PolarHBondContact CE1-O 2.74Å; H185-P257 VanDerWaalsContact ND1-CB 3.34Å; H185-P257 WeakPolarHBondContact ND1-CB 3.47Å; H185-D260 IonicContact CD2-OD2 2.84Å; H185-D260 IonicContact NE2-OD2 3.22Å; H185-D260 PolarHBondContact NE2-OD2 3.23Å; H185-D260 VanDerWaalsContact NE2-OD2 3.07Å; H185-H325 AromaticContact CE1-NE2 3.74Å; H185-H325 AromaticContact CG-NE2 3.58Å; H185-H325 AromaticContact ND1-CE1 3.4Å; H185-H325 PolarHBondContact ND1-CE1 3.11Å; H185-H325 AromaticContact ND1-NE2 2.8Å; H185-H325 PolarHBondContact ND1-NE2 2.85Å
186	E	93.4	Very high	96.6	Very high	144 Å²	144	21 Å²	21	67%	0.673	10%	0.104	S	C	*	.	H	α-helix	trans	-60.6	-43	174.4	-174.3	171.7	-170.4	0	0	111.5	S182 A183 G188 R222	S182-E186 WeakPolarHBondContact O-CB 3.4Å; S182-E186 PolarHBondContact O-N 2.9Å; A183-E186 PolarHBondContact O-N 2.91Å; E186-G188 PolarHBondContact O-N 3.14Å; E186-R222 PolarHBondContact O-NH2 3.45Å
187	A	93.6	Very high	96.4	Very high	9 Å²	9	22 Å²	22	7%	0.074	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-4.3	174.9	0	0	0	0	0	114.4	R122 L123 A183 V184 H185 F189	R122-A187 HydrophobicContact CG-CB 4.23Å; R122-A187 PolarHBondContact NE-O 2.83Å; L123-A187 HydrophobicContact CD2-CB 3.65Å; L123-A187 HydrophobicContact CG-CB 4.42Å; A183-A187 WeakPolarHBondContact O-CB 3.14Å; A183-A187 PolarHBondContact O-N 2.99Å; V184-A187 PolarHBondContact O-N 2.67Å; H185-A187 VanDerWaalsContact C-N 3.33Å; H185-A187 PolarHBondContact O-N 3.07Å; A187-F189 HydrophobicContact CB-CD2 4.06Å; A187-F189 HydrophobicContact CB-CE2 4.48Å; A187-F189 VanDerWaalsContact O-CD2 3.27Å; A187-F189 WeakPolarHBondContact O-CD2 3.42Å; A187-F189 VanDerWaalsContact O-CE2 3.24Å; A187-F189 WeakPolarHBondContact O-CE2 3.38Å
188	G	93.8	Very high	96.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	19.7	174.7	0	0	0	0	0	114.6	V184 H185 E186 I221 R222	V184-G188 PolarHBondContact O-N 2.88Å; H185-G188 PolarHBondContact O-N 3.32Å; E186-G188 PolarHBondContact O-N 3.14Å; G188-I221 VanDerWaalsContact O-CG1 3.31Å; G188-I221 WeakPolarHBondContact O-CG1 3.41Å; G188-I221 PolarHBondContact O-N 3.44Å; G188-R222 PolarHBondContact O-N 3.18Å
189	F	95.5	Very high	96.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	159.4	-176.9	-62.3	-89.1	0	0	0	113	F118 I119 V184 H185 A187 L219 Q220	F118-F189 AromaticContact CD1-CZ 3.95Å; F118-F189 HydrophobicContact CD1-CZ 3.95Å; F118-F189 AromaticContact CE1-CZ 3.82Å; F118-F189 HydrophobicContact CE1-CZ 3.82Å; I119-F189 HydrophobicContact CD1-CD1 3.73Å; I119-F189 HydrophobicContact CD1-CE1 3.83Å; I119-F189 HydrophobicContact CD1-CG 4.31Å; I119-F189 HydrophobicContact CD1-CZ 4.49Å; I119-F189 HydrophobicContact CG1-CD1 3.76Å; I119-F189 HydrophobicContact CG1-CD2 4.26Å; I119-F189 HydrophobicContact CG1-CE1 3.51Å; I119-F189 HydrophobicContact CG1-CE2 4.06Å; I119-F189 HydrophobicContact CG1-CG 4.14Å; I119-F189 HydrophobicContact CG1-CZ 3.69Å; V184-F189 CarbonylContact C-O 3.48Å; V184-F189 HydrophobicContact CG1-CB 3.84Å; V184-F189 PolarHBondContact O-N 3.25Å; V184-F189 VanDerWaalsContact O-N 3.07Å; H185-F189 VanDerWaalsContact CA-O 3.31Å; H185-F189 WeakPolarHBondContact CA-O 3.48Å; H185-F189 PolarHBondContact CD2-O 3.36Å; H185-F189 VanDerWaalsContact CD2-O 3.26Å; A187-F189 HydrophobicContact CB-CD2 4.06Å; A187-F189 HydrophobicContact CB-CE2 4.48Å; A187-F189 VanDerWaalsContact O-CD2 3.27Å; A187-F189 WeakPolarHBondContact O-CD2 3.42Å; A187-F189 VanDerWaalsContact O-CE2 3.24Å; A187-F189 WeakPolarHBondContact O-CE2 3.38Å; F189-L219 CarbonylContact C-O 3.48Å; F189-L219 WeakPolarHBondContact CA-O 3.4Å; F189-Q220 HydrophobicContact CD1-CB 3.87Å; F189-Q220 HydrophobicContact CD1-CG 4.28Å; F189-Q220 HydrophobicContact CE1-CB 3.57Å; F189-Q220 HydrophobicContact CE1-CG 3.82Å; F189-Q220 HydrophobicContact CZ-CB 4.37Å; F189-Q220 HydrophobicContact CZ-CG 4.15Å
190	V	96.3	Very high	96	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.9	165.7	-179.5	0	0	0	0	106.6	R192 A218 L219 I221 L255 P257 D260	V190-R192 HydrophobicContact CB-CG 4.22Å; V190-R192 HydrophobicContact CG1-CG 3.75Å; V190-A218 CarbonylContact O-C 3.55Å; V190-A218 WeakPolarHBondContact O-CA 3.37Å; V190-L219 PolarHBondContact N-O 3.4Å; V190-L219 PolarHBondContact O-N 2.8Å; V190-I221 HydrophobicContact CB-CG2 4.37Å; V190-I221 HydrophobicContact CG2-CB 4.41Å; V190-I221 HydrophobicContact CG2-CD1 3.6Å; V190-I221 HydrophobicContact CG2-CG1 4.01Å; V190-I221 HydrophobicContact CG2-CG2 3.6Å; V190-L255 HydrophobicContact CG1-CB 4.29Å; V190-P257 HydrophobicContact CG2-CG 4.18Å; V190-D260 WeakPolarHBondContact CG1-OD2 3.47Å
191	L	96.8	Very high	95.8	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.096	C	C	.	.			trans	-70.4	-40.4	-176.1	-169.8	63.4	0	0	0	112.4	L181 D193 V194 F199 I212 F215 A217 A218 D260	L181-L191 HydrophobicContact CD2-CB 4.06Å; L181-L191 HydrophobicContact CD2-CD2 3.96Å; L191-D193 PolarHBondContact O-N 3.18Å; L191-V194 HydrophobicContact CB-CG2 4.39Å; L191-V194 HydrophobicContact CD2-CG2 4Å; L191-F199 HydrophobicContact CD2-CZ 4.43Å; L191-I212 HydrophobicContact CD1-CG2 4.07Å; L191-I212 HydrophobicContact CD2-CD1 4.14Å; L191-I212 HydrophobicContact CD2-CG1 4.49Å; L191-I212 HydrophobicContact CD2-CG2 4.18Å; L191-F215 HydrophobicContact CD1-CD1 3.59Å; L191-F215 HydrophobicContact CD1-CE1 3.93Å; L191-F215 HydrophobicContact CD1-CG 4.31Å; L191-A217 CarbonylContact O-C 3.57Å; L191-A218 WeakPolarHBondContact O-CA 3.46Å; L191-A218 PolarHBondContact O-N 2.71Å; L191-D260 WeakPolarHBondContact CB-OD2 3.34Å; L191-D260 PolarHBondContact N-OD2 3.27Å
192	R	96.5	Very high	95.6	Very high	39 Å²	39	19.7 Å²	19.7	15%	0.147	10%	0.101	C	C	.	.			trans	65	-8.2	177.8	-53.9	-165.1	-59.7	-177.7	-2.3	117.2	V190 A217 L219 E254 L255 D260	V190-R192 HydrophobicContact CB-CG 4.22Å; V190-R192 HydrophobicContact CG1-CG 3.75Å; R192-A217 PolarHBondContact NE-O 3.25Å; R192-A217 PolarHBondContact NH2-O 3.44Å; R192-L219 HydrophobicContact CG-CB 4.38Å; R192-E254 IonicContact NH1-OE1 3.83Å; R192-L255 HydrophobicContact CB-CD1 4.01Å; R192-L255 HydrophobicContact CG-CB 4.15Å; R192-L255 HydrophobicContact CG-CD1 3.9Å; R192-D260 WeakPolarHBondContact CA-OD1 3.43Å; R192-D260 PolarHBondContact N-OD1 2.94Å
193	D	95.9	Very high	95.2	Very high	23 Å²	23	21.3 Å²	21.3	12%	0.123	11%	0.106	C	C	.	.			trans	-132.4	53.4	175.9	-165.2	27.4	0	0	0	112	L191 R195 N198 A217 G240 S241	L191-D193 PolarHBondContact O-N 3.18Å; D193-R195 PolarHBondContact O-N 2.66Å; D193-R195 WeakPolarHBondContact OD1-CD 3.46Å; D193-R195 IonicContact OD1-NH1 3.97Å; D193-R195 IonicContact OD2-NH1 2.76Å; D193-R195 PolarHBondContact OD2-NH1 3.31Å; D193-N198 VanDerWaalsContact CG-ND2 3.34Å; D193-N198 PolarHBondContact O-ND2 3.13Å; D193-N198 PolarHBondContact OD2-ND2 3.49Å; D193-A217 HydrophobicContact CB-CB 3.74Å; D193-G240 VanDerWaalsContact CG-CA 3.48Å; D193-G240 WeakPolarHBondContact OD1-CA 3.13Å; D193-S241 PolarHBondContact OD1-N 2.94Å
194	V	98.3	Very high	94.9	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	13%	0.132	C	C	.	.			trans	-71.6	110.5	174.5	178.4	0	0	0	0	109.7	L181 L191 F199 H244 D260 L264 M267	L181-V194 HydrophobicContact CD1-CG1 4.48Å; L181-V194 HydrophobicContact CD1-CG2 4.1Å; L181-V194 HydrophobicContact CD2-CG2 3.87Å; L191-V194 HydrophobicContact CB-CG2 4.39Å; L191-V194 HydrophobicContact CD2-CG2 4Å; V194-F199 HydrophobicContact CG1-CE2 3.88Å; V194-F199 HydrophobicContact CG1-CZ 4.23Å; V194-H244 VanDerWaalsContact O-CB 3.27Å; V194-H244 WeakPolarHBondContact O-CB 3.39Å; V194-D260 HydrophobicContact CG2-CB 3.9Å; V194-L264 HydrophobicContact CG1-CB 4.12Å; V194-M267 HydrophobicContact CG1-SD 4.5Å
195	R	96.3	Very high	94.5	Very high	60 Å²	60	35.3 Å²	35.3	23%	0.226	17%	0.168	C	C	.	.	S	Bend	trans	-163.6	158.9	-178	62.3	-168.1	-97.5	-155.9	-17	110.6	D193 E197 N198 F199 H244	D193-R195 PolarHBondContact O-N 2.66Å; D193-R195 WeakPolarHBondContact OD1-CD 3.46Å; D193-R195 IonicContact OD1-NH1 3.97Å; D193-R195 IonicContact OD2-NH1 2.76Å; D193-R195 PolarHBondContact OD2-NH1 3.31Å; R195-E197 HydrophobicContact CG-CB 4.49Å; R195-E197 WeakPolarHBondContact CG-OE2 3.38Å; R195-E197 IonicContact CZ-OE2 2.86Å; R195-E197 IonicContact NE-OE2 3.93Å; R195-E197 PolarHBondContact NE-OE2 3.35Å; R195-E197 IonicContact NH2-OE2 3.33Å; R195-E197 PolarHBondContact O-N 3.02Å; R195-E197 VanDerWaalsContact O-N 3.11Å; R195-N198 HydrophobicContact CG-CB 4.25Å; R195-N198 PolarHBondContact O-N 2.97Å; R195-F199 VanDerWaalsContact O-CD2 3.29Å; R195-F199 WeakPolarHBondContact O-CD2 3.15Å; R195-H244 HydrophobicContact CB-CB 4.44Å; R195-H244 WeakPolarHBondContact CB-ND1 3.38Å
196	P	95.9	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-61.4	-28	-172.1	-18	27.8	0	0	0	114.3	L153 T154 N198 F199 H244 M267 L271	L153-P196 HydrophobicContact CB-CB 3.73Å; L153-P196 WeakPolarHBondContact CB-O 3.27Å; L153-P196 PolarHBondContact N-O 3.05Å; T154-P196 WeakPolarHBondContact OG1-CB 3.47Å; P196-N198 PolarHBondContact O-N 2.95Å; P196-F199 PolarHBondContact O-N 3.13Å; P196-F199 VanDerWaalsContact O-O 3.05Å; P196-H244 VanDerWaalsContact CD-CE1 3.43Å; P196-H244 WeakPolarHBondContact CD-CE1 3.44Å; P196-M267 HydrophobicContact CB-SD 4.45Å; P196-M267 HydrophobicContact CG-CG 3.7Å; P196-M267 HydrophobicContact CG-SD 4.1Å; P196-M267 VanDerWaalsContact N-SD 3.4Å; P196-L271 HydrophobicContact CB-CD2 4.1Å; P196-L271 HydrophobicContact CG-CD2 3.91Å; P196-L271 HydrophobicContact CG-CG 4.33Å
197	E	93.4	Very high	94.2	Very high	47 Å²	47	34.2 Å²	34.2	22%	0.22	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-67.4	-20.9	177.9	-61.9	76.2	-167.9	0	0	113.9	T154 R195	T154-E197 HydrophobicContact CG2-CG 4.3Å; T154-E197 PolarHBondContact OG1-OE1 3.47Å; R195-E197 HydrophobicContact CG-CB 4.49Å; R195-E197 WeakPolarHBondContact CG-OE2 3.38Å; R195-E197 IonicContact CZ-OE2 2.86Å; R195-E197 IonicContact NE-OE2 3.93Å; R195-E197 PolarHBondContact NE-OE2 3.35Å; R195-E197 IonicContact NH2-OE2 3.33Å; R195-E197 PolarHBondContact O-N 3.02Å; R195-E197 VanDerWaalsContact O-N 3.11Å
198	N	95.5	Very high	94.1	Very high	11 Å²	11	36 Å²	36	6%	0.059	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-97.8	2.6	-178.1	-72.3	-16.8	0	0	0	113	D193 R195 P196 I212 V213	D193-N198 VanDerWaalsContact CG-ND2 3.34Å; D193-N198 PolarHBondContact O-ND2 3.13Å; D193-N198 PolarHBondContact OD2-ND2 3.49Å; R195-N198 HydrophobicContact CG-CB 4.25Å; R195-N198 PolarHBondContact O-N 2.97Å; P196-N198 PolarHBondContact O-N 2.95Å; N198-I212 WeakPolarHBondContact O-CA 3.18Å; N198-V213 PolarHBondContact O-N 2.7Å
199	F	96.7	Very high	94.2	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.8	173.4	-67.1	-84.2	0	0	0	109.3	D152 L153 C177 L191 V194 R195 P196 I210 S211 I212 M267	D152-F199 CarbonylContact C-O 3.58Å; D152-F199 VanDerWaalsContact CA-O 3.28Å; D152-F199 WeakPolarHBondContact CA-O 3.46Å; L153-F199 HydrophobicContact CD1-CB 3.75Å; L153-F199 HydrophobicContact CG-CB 4.11Å; L153-F199 PolarHBondContact N-O 3.38Å; C177-F199 HydrophobicContact CB-CD1 4.46Å; C177-F199 HydrophobicContact CB-CE1 3.99Å; C177-F199 HydrophobicContact CB-CZ 4.26Å; L191-F199 HydrophobicContact CD2-CZ 4.43Å; V194-F199 HydrophobicContact CG1-CE2 3.88Å; V194-F199 HydrophobicContact CG1-CZ 4.23Å; R195-F199 VanDerWaalsContact O-CD2 3.29Å; R195-F199 WeakPolarHBondContact O-CD2 3.15Å; P196-F199 PolarHBondContact O-N 3.13Å; P196-F199 VanDerWaalsContact O-O 3.05Å; F199-I210 HydrophobicContact CB-CG2 3.78Å; F199-I210 HydrophobicContact CD1-CG2 3.9Å; F199-I210 HydrophobicContact CG-CG2 4.26Å; F199-S211 WeakPolarHBondContact CA-O 3.3Å; F199-I212 HydrophobicContact CD1-CG1 4.02Å; F199-I212 HydrophobicContact CE1-CD1 4.29Å; F199-I212 HydrophobicContact CE1-CG1 3.53Å; F199-I212 HydrophobicContact CZ-CG1 4.24Å; F199-M267 HydrophobicContact CD2-CE 4Å; F199-M267 HydrophobicContact CD2-SD 3.86Å; F199-M267 HydrophobicContact CE2-CE 4.09Å; F199-M267 HydrophobicContact CE2-SD 4.04Å
200	A	94.8	Very high	94.3	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.017	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.6	179.2	0	0	0	0	0	111.4	V149 D152 I210 S211 V213	V149-A200 HydrophobicContact CB-CB 4.22Å; V149-A200 HydrophobicContact CG2-CB 3.84Å; D152-A200 HydrophobicContact CB-CB 4.42Å; A200-I210 CarbonylContact O-C 3.55Å; A200-I210 WeakPolarHBondContact O-CA 3.42Å; A200-S211 PolarHBondContact N-O 2.89Å; A200-S211 PolarHBondContact O-N 2.92Å; A200-V213 HydrophobicContact CB-CG1 3.64Å
201	I	94.6	Very high	94.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	154.2	173.9	64.6	175.8	0	0	0	110.6	G150 P151 I156 V209 I210 L347 D348	G150-I201 VanDerWaalsContact CA-O 3.3Å; G150-I201 WeakPolarHBondContact CA-O 3.29Å; G150-I201 PolarHBondContact N-O 3.48Å; P151-I201 HydrophobicContact CG-CD1 4.07Å; P151-I201 HydrophobicContact CG-CG1 4.21Å; P151-I201 PolarHBondContact O-N 2.89Å; I156-I201 HydrophobicContact CD1-CD1 4.01Å; I156-I201 HydrophobicContact CD1-CG1 4.08Å; I156-I201 HydrophobicContact CD1-CG2 3.74Å; I201-V209 CarbonylContact C-O 3.44Å; I201-V209 WeakPolarHBondContact CA-O 3.39Å; I201-I210 HydrophobicContact CG2-CG1 4.45Å; I201-L347 HydrophobicContact CD1-CB 4.31Å; I201-L347 HydrophobicContact CG2-CB 3.96Å; I201-L347 HydrophobicContact CG2-CD1 3.94Å; I201-D348 HydrophobicContact CD1-CB 3.95Å
202	G	92.5	Very high	94.3	Very high	10 Å²	10	38.1 Å²	38.1	10%	0.103	19%	0.186	C	C	.	.			trans	-68.8	-177.5	171.5	0	0	0	0	0	112.9	D206 V209	G202-D206 WeakPolarHBondContact CA-O 3.32Å; G202-D206 PolarHBondContact N-O 2.71Å; G202-V209 PolarHBondContact N-O 2.72Å
203	L	90.2	Very high	94.1	Very high	62 Å²	62	37.2 Å²	37.2	33%	0.325	18%	0.184	S	C	.	.	S	Bend	trans	-110.3	156	175.6	-64.9	172.7	0	0	0	109.8	M148 Q205 D206	M148-L203 HydrophobicContact CB-CD1 3.74Å; L203-Q205 PolarHBondContact O-N 2.83Å; L203-D206 PolarHBondContact O-N 3.25Å
204	H	89.3	Confident	93.9	Very high	156 Å²	156	37 Å²	37	72%	0.722	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	55	-119.2	171.8	-49.9	-64.5	0	0	0	112.7	D206 K207	H204-D206 PolarHBondContact O-N 3.13Å; H204-K207 WeakPolarHBondContact O-CB 3.47Å; H204-K207 PolarHBondContact O-N 3.11Å
205	Q	90.5	Very high	93.7	Very high	161 Å²	161	37 Å²	37	75%	0.752	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-64.8	-21.5	178.3	65.6	-81.2	-2.4	0	0	113.9	L203	L203-Q205 PolarHBondContact O-N 2.83Å
206	D	91.2	Very high	93.4	Very high	69 Å²	69	35.3 Å²	35.3	37%	0.369	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-95.8	14.4	-177.3	-59.3	-39.6	0	0	0	112.4	G202 L203 H204 D208 V209	G202-D206 WeakPolarHBondContact CA-O 3.32Å; G202-D206 PolarHBondContact N-O 2.71Å; L203-D206 PolarHBondContact O-N 3.25Å; H204-D206 PolarHBondContact O-N 3.13Å; D206-D208 PolarHBondContact O-N 3.02Å; D206-D208 VanDerWaalsContact O-N 3.11Å; D206-V209 HydrophobicContact CB-CB 4.4Å; D206-V209 HydrophobicContact CB-CG2 4.27Å; D206-V209 WeakPolarHBondContact O-CB 3.45Å; D206-V209 PolarHBondContact O-N 3.35Å
207	K	91	Very high	93.2	Very high	62 Å²	62	35.9 Å²	35.9	27%	0.27	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.9	-175.4	71.6	-166.3	-151.1	133.8	0	115.3	H204 D348	H204-K207 WeakPolarHBondContact O-CB 3.47Å; H204-K207 PolarHBondContact O-N 3.11Å; K207-D348 HydrophobicContact CB-CB 4.32Å; K207-D348 WeakPolarHBondContact CD-OD2 3.49Å; K207-D348 VanDerWaalsContact NZ-CG 3.29Å; K207-D348 IonicContact NZ-OD1 3.56Å; K207-D348 PolarHBondContact NZ-OD1 3.27Å; K207-D348 VanDerWaalsContact NZ-OD1 3.11Å; K207-D348 IonicContact NZ-OD2 2.86Å; K207-D348 PolarHBondContact NZ-OD2 3.46Å
208	D	92.1	Very high	93.2	Very high	46 Å²	46	33.7 Å²	33.7	25%	0.246	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.8	175.4	-80.6	-35.6	0	0	0	112.7	Q176 D206 S344 L345 R346	Q176-D208 PolarHBondContact NE2-O 3.43Å; Q176-D208 PolarHBondContact OE1-O 3.49Å; D206-D208 PolarHBondContact O-N 3.02Å; D206-D208 VanDerWaalsContact O-N 3.11Å; D208-S344 PolarHBondContact OD1-OG 3.27Å; D208-S344 WeakPolarHBondContact OD2-CB 3.43Å; D208-S344 PolarHBondContact OD2-OG 3.31Å; D208-L345 PolarHBondContact OD1-N 2.96Å; D208-R346 PolarHBondContact OD1-N 3.36Å; D208-R346 VanDerWaalsContact OD1-N 3.07Å
209	V	95.7	Very high	93.1	Very high	37 Å²	37	34.6 Å²	34.6	22%	0.224	18%	0.184	C	C	.	.			trans	-93.5	124.1	177.3	-177.9	0	0	0	0	109.7	P127 I201 G202 D206	P127-V209 WeakPolarHBondContact O-CG1 3.22Å; I201-V209 CarbonylContact C-O 3.44Å; I201-V209 WeakPolarHBondContact CA-O 3.39Å; G202-V209 PolarHBondContact N-O 2.72Å; D206-V209 HydrophobicContact CB-CB 4.4Å; D206-V209 HydrophobicContact CB-CG2 4.27Å; D206-V209 WeakPolarHBondContact O-CB 3.45Å; D206-V209 PolarHBondContact O-N 3.35Å
210	I	96.9	Very high	93	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.7	172.7	-63.4	174.3	0	0	0	108.9	H128 L153 I173 Q176 F199 A200 I201 L345	H128-I210 WeakPolarHBondContact CA-O 3Å; H128-I210 WeakPolarHBondContact CB-O 2.92Å; H128-I210 PolarHBondContact ND1-O 3.29Å; L153-I210 HydrophobicContact CD2-CD1 4.46Å; I173-I210 HydrophobicContact CB-CD1 4.05Å; I173-I210 HydrophobicContact CG1-CD1 3.77Å; I173-I210 HydrophobicContact CG2-CD1 4.04Å; Q176-I210 HydrophobicContact CB-CB 4.21Å; Q176-I210 HydrophobicContact CB-CD1 4.44Å; F199-I210 HydrophobicContact CB-CG2 3.78Å; F199-I210 HydrophobicContact CD1-CG2 3.9Å; F199-I210 HydrophobicContact CG-CG2 4.26Å; A200-I210 CarbonylContact O-C 3.55Å; A200-I210 WeakPolarHBondContact O-CA 3.42Å; I201-I210 HydrophobicContact CG2-CG1 4.45Å; I210-L345 HydrophobicContact CD1-CD1 3.65Å; I210-L345 HydrophobicContact CG1-CD1 4Å
211	S	96.3	Very high	92.9	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.7	-179.5	-69.3	0	0	0	0	112.5	H128 F199 A200	H128-S211 CarbonylContact O-C 3.59Å; H128-S211 VanDerWaalsContact O-CA 3.31Å; H128-S211 WeakPolarHBondContact O-CA 3.41Å; F199-S211 WeakPolarHBondContact CA-O 3.3Å; A200-S211 PolarHBondContact N-O 2.89Å; A200-S211 PolarHBondContact O-N 2.92Å
212	I	96.8	Very high	92.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133	166	-59.6	167.7	0	0	0	109.1	H128 S130 A180 V184 L191 N198 F199 F215	H128-I212 PolarHBondContact O-N 3.21Å; S130-I212 PolarHBondContact N-O 2.76Å; S130-I212 PolarHBondContact OG-O 2.73Å; A180-I212 HydrophobicContact CB-CD1 3.73Å; A180-I212 HydrophobicContact CB-CG1 4.05Å; V184-I212 HydrophobicContact CG2-CD1 3.79Å; L191-I212 HydrophobicContact CD1-CG2 4.07Å; L191-I212 HydrophobicContact CD2-CD1 4.14Å; L191-I212 HydrophobicContact CD2-CG1 4.49Å; L191-I212 HydrophobicContact CD2-CG2 4.18Å; N198-I212 WeakPolarHBondContact O-CA 3.18Å; F199-I212 HydrophobicContact CD1-CG1 4.02Å; F199-I212 HydrophobicContact CE1-CD1 4.29Å; F199-I212 HydrophobicContact CE1-CG1 3.53Å; F199-I212 HydrophobicContact CZ-CG1 4.24Å; I212-F215 HydrophobicContact CB-CE1 4.46Å; I212-F215 HydrophobicContact CB-CE2 4.08Å; I212-F215 HydrophobicContact CB-CZ 3.74Å; I212-F215 HydrophobicContact CD1-CE1 4.27Å; I212-F215 HydrophobicContact CD1-CZ 4.17Å; I212-F215 HydrophobicContact CG2-CD1 4.43Å; I212-F215 HydrophobicContact CG2-CD2 4.22Å; I212-F215 HydrophobicContact CG2-CE1 3.9Å; I212-F215 HydrophobicContact CG2-CE2 3.63Å; I212-F215 HydrophobicContact CG2-CZ 3.46Å; I212-F215 VanDerWaalsContact CG2-CZ 3.46Å
213	V	93.3	Very high	92.2	Very high	19 Å²	19	43.9 Å²	43.9	12%	0.115	22%	0.221	C	C	.	.			trans	-116	-4.8	-176.2	-54.9	0	0	0	0	114.6	K102 V149 N198 A200	K102-V213 WeakPolarHBondContact CE-O 3.34Å; K102-V213 PolarHBondContact NZ-O 2.93Å; V149-V213 HydrophobicContact CG2-CG1 3.81Å; N198-V213 PolarHBondContact O-N 2.7Å; A200-V213 HydrophobicContact CB-CG1 3.64Å
214	D	91.4	Very high	91.4	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.102	23%	0.229	C	C	.	.			trans	-147.7	116.7	-178.9	-147	-57.1	0	0	0	112.5	K87 K102 R112 G216	K87-D214 IonicContact NZ-OD2 3.97Å; K87-D214 PolarHBondContact NZ-OD2 2.82Å; K102-D214 IonicContact NZ-OD1 3.68Å; K102-D214 IonicContact NZ-OD2 3.24Å; K102-D214 PolarHBondContact NZ-OD2 2.97Å; R112-D214 IonicContact NH2-OD1 3.07Å; D214-G216 PolarHBondContact OD1-N 3.19Å
215	F	94	Very high	90.4	Very high	2 Å²	2	43 Å²	43	1%	0.009	23%	0.226	C	C	.	.			trans	-107.8	12.3	173.8	-63.2	-92	0	0	0	112.2	E116 I119 L120 L123 V129 V184 L191 I212 A217 A218	E116-F215 HydrophobicContact CB-CB 4.43Å; E116-F215 HydrophobicContact CG-CB 3.97Å; E116-F215 PolarHBondContact OE1-N 3.41Å; I119-F215 HydrophobicContact CD1-CB 4.25Å; I119-F215 HydrophobicContact CG2-CB 4.46Å; I119-F215 HydrophobicContact CG2-CD1 3.6Å; I119-F215 HydrophobicContact CG2-CE1 3.96Å; I119-F215 HydrophobicContact CG2-CG 4.04Å; L120-F215 HydrophobicContact CD2-CD2 3.65Å; L120-F215 HydrophobicContact CD2-CE2 3.32Å; L120-F215 HydrophobicContact CD2-CZ 4.23Å; L120-F215 HydrophobicContact CG-CD2 3.99Å; L120-F215 HydrophobicContact CG-CE2 4.16Å; L123-F215 HydrophobicContact CD1-CE1 3.74Å; L123-F215 HydrophobicContact CD1-CZ 3.87Å; V129-F215 HydrophobicContact CB-CE2 4.44Å; V129-F215 HydrophobicContact CB-CZ 4.21Å; V129-F215 HydrophobicContact CG1-CE2 4.47Å; V129-F215 HydrophobicContact CG1-CZ 3.77Å; V184-F215 HydrophobicContact CG2-CE1 3.78Å; L191-F215 HydrophobicContact CD1-CD1 3.59Å; L191-F215 HydrophobicContact CD1-CE1 3.93Å; L191-F215 HydrophobicContact CD1-CG 4.31Å; I212-F215 HydrophobicContact CB-CE1 4.46Å; I212-F215 HydrophobicContact CB-CE2 4.08Å; I212-F215 HydrophobicContact CB-CZ 3.74Å; I212-F215 HydrophobicContact CD1-CE1 4.27Å; I212-F215 HydrophobicContact CD1-CZ 4.17Å; I212-F215 HydrophobicContact CG2-CD1 4.43Å; I212-F215 HydrophobicContact CG2-CD2 4.22Å; I212-F215 HydrophobicContact CG2-CE1 3.9Å; I212-F215 HydrophobicContact CG2-CE2 3.63Å; I212-F215 HydrophobicContact CG2-CZ 3.46Å; I212-F215 VanDerWaalsContact CG2-CZ 3.46Å; F215-A217 PolarHBondContact O-N 3.09Å; F215-A217 VanDerWaalsContact O-N 3.11Å; F215-A218 HydrophobicContact CB-CB 4.24Å; F215-A218 VanDerWaalsContact O-CB 3.25Å; F215-A218 WeakPolarHBondContact O-CB 3.34Å; F215-A218 PolarHBondContact O-N 3.4Å
216	G	89.6	Confident	89.4	Confident	24 Å²	24	41 Å²	41	25%	0.247	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.1	-175.6	0	0	0	0	0	114.5	D214	D214-G216 PolarHBondContact OD1-N 3.19Å
217	A	91.5	Very high	88.6	Confident	12 Å²	12	42.1 Å²	42.1	10%	0.099	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-11.8	175.6	0	0	0	0	0	113.5	L191 R192 D193 F215	L191-A217 CarbonylContact O-C 3.57Å; R192-A217 PolarHBondContact NE-O 3.25Å; R192-A217 PolarHBondContact NH2-O 3.44Å; D193-A217 HydrophobicContact CB-CB 3.74Å; F215-A217 PolarHBondContact O-N 3.09Å; F215-A217 VanDerWaalsContact O-N 3.11Å
218	A	94.6	Very high	88.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.008	24%	0.241	C	C	.	.			trans	-60.9	149.9	-169.7	0	0	0	0	0	112.2	K115 I119 V190 L191 F215	K115-A218 VanDerWaalsContact CE-O 3.28Å; K115-A218 WeakPolarHBondContact CE-O 3.43Å; K115-A218 PolarHBondContact NZ-O 3.19Å; I119-A218 HydrophobicContact CD1-CB 3.62Å; V190-A218 CarbonylContact O-C 3.55Å; V190-A218 WeakPolarHBondContact O-CA 3.37Å; L191-A218 WeakPolarHBondContact O-CA 3.46Å; L191-A218 PolarHBondContact O-N 2.71Å; F215-A218 HydrophobicContact CB-CB 4.24Å; F215-A218 VanDerWaalsContact O-CB 3.25Å; F215-A218 WeakPolarHBondContact O-CB 3.34Å; F215-A218 PolarHBondContact O-N 3.4Å
219	L	93.3	Very high	87.8	Confident	30 Å²	30	46.8 Å²	46.8	16%	0.157	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.6	178.3	-179.5	65.5	0	0	0	109.7	F189 V190 R192 I221 E254	F189-L219 CarbonylContact C-O 3.48Å; F189-L219 WeakPolarHBondContact CA-O 3.4Å; V190-L219 PolarHBondContact N-O 3.4Å; V190-L219 PolarHBondContact O-N 2.8Å; R192-L219 HydrophobicContact CG-CB 4.38Å; L219-I221 HydrophobicContact CD2-CG2 4.07Å; L219-I221 HydrophobicContact CG-CG2 4.18Å; L219-E254 VanDerWaalsContact CD2-CD 3.43Å; L219-E254 HydrophobicContact CD2-CG 3.93Å; L219-E254 WeakPolarHBondContact CD2-OE1 3.38Å
220	Q	93.6	Very high	87.6	Confident	53 Å²	53	47.5 Å²	47.5	25%	0.248	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.9	168.3	-169	169.2	11.6	0	0	107.9	F189 R222 F223 I230	F189-Q220 HydrophobicContact CD1-CB 3.87Å; F189-Q220 HydrophobicContact CD1-CG 4.28Å; F189-Q220 HydrophobicContact CE1-CB 3.57Å; F189-Q220 HydrophobicContact CE1-CG 3.82Å; F189-Q220 HydrophobicContact CZ-CB 4.37Å; F189-Q220 HydrophobicContact CZ-CG 4.15Å; Q220-R222 WeakPolarHBondContact CG-O 3.48Å; Q220-R222 PolarHBondContact NE2-O 2.87Å; Q220-F223 VanDerWaalsContact NE2-CD1 3.35Å; Q220-I230 HydrophobicContact CB-CD1 4.38Å; Q220-I230 HydrophobicContact CG-CD1 4.11Å; Q220-I230 WeakPolarHBondContact O-CD1 3.41Å
221	I	92.7	Very high	87.2	Confident	13 Å²	13	57.2 Å²	57.2	7%	0.067	29%	0.29	C	S	.	.			trans	-116.3	-12.7	179.9	57.9	158.8	0	0	0	112.3	G188 V190 L219 T229 I230 P257 Y319	G188-I221 VanDerWaalsContact O-CG1 3.31Å; G188-I221 WeakPolarHBondContact O-CG1 3.41Å; G188-I221 PolarHBondContact O-N 3.44Å; V190-I221 HydrophobicContact CB-CG2 4.37Å; V190-I221 HydrophobicContact CG2-CB 4.41Å; V190-I221 HydrophobicContact CG2-CD1 3.6Å; V190-I221 HydrophobicContact CG2-CG1 4.01Å; V190-I221 HydrophobicContact CG2-CG2 3.6Å; L219-I221 HydrophobicContact CD2-CG2 4.07Å; L219-I221 HydrophobicContact CG-CG2 4.18Å; I221-T229 CarbonylContact O-C 3.59Å; I221-T229 WeakPolarHBondContact O-CA 3.36Å; I221-I230 PolarHBondContact O-N 3.39Å; I221-P257 HydrophobicContact CD1-CG 3.63Å; I221-Y319 HydrophobicContact CG2-CE2 4.5Å
222	R	90.2	Very high	86.9	Confident	43 Å²	43	59.3 Å²	59.3	16%	0.162	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-147.9	144.8	-176.1	-169.2	171.3	72.9	178.2	-10.6	110.8	E186 G188 Q220 N227 F228	E186-R222 PolarHBondContact O-NH2 3.45Å; G188-R222 PolarHBondContact O-N 3.18Å; Q220-R222 WeakPolarHBondContact CG-O 3.48Å; Q220-R222 PolarHBondContact NE2-O 2.87Å; R222-N227 WeakPolarHBondContact CD-OD1 3.26Å; R222-N227 PolarHBondContact NE-OD1 3.07Å; R222-N227 VanDerWaalsContact NE-OD1 3.13Å; R222-N227 PolarHBondContact NH1-OD1 3.45Å; R222-F228 WeakPolarHBondContact CA-O 3.46Å
223	F	82.5	Confident	86.5	Confident	102 Å²	102	65 Å²	65	45%	0.447	33%	0.33	S	S	.	.			trans	-100.9	144.3	167.7	-63.1	-74.3	0	0	0	110	Q220 V225 N227 F228 I230	Q220-F223 VanDerWaalsContact NE2-CD1 3.35Å; F223-V225 PolarHBondContact O-N 3.45Å; F223-N227 WeakPolarHBondContact O-CA 3.33Å; F223-N227 PolarHBondContact O-N 3.16Å; F223-F228 PolarHBondContact N-O 3.41Å; F223-I230 HydrophobicContact CD2-CD1 4.06Å; F223-I230 HydrophobicContact CD2-CG1 3.93Å; F223-I230 HydrophobicContact CE1-CD1 4.48Å; F223-I230 HydrophobicContact CE2-CD1 3.47Å; F223-I230 VanDerWaalsContact CE2-CD1 3.47Å; F223-I230 HydrophobicContact CE2-CG1 3.55Å; F223-I230 HydrophobicContact CZ-CD1 3.71Å; F223-I230 HydrophobicContact CZ-CG1 4.3Å
224	D	74.1	Confident	85.9	Confident	90 Å²	90	71.4 Å²	71.4	48%	0.481	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-36.3	175.9	-55.8	-27	0	0	0	111.8	R122 N226 N227	R122-D224 IonicContact CZ-OD1 3.42Å; R122-D224 VanDerWaalsContact CZ-OD1 3.22Å; R122-D224 IonicContact CZ-OD2 3.72Å; R122-D224 IonicContact NE-OD1 3.32Å; R122-D224 IonicContact NE-OD2 3.93Å; R122-D224 IonicContact NH1-OD1 2.94Å; R122-D224 IonicContact NH1-OD2 2.64Å; R122-D224 PolarHBondContact NH1-OD2 2.9Å; R122-D224 IonicContact NH2-OD1 2.96Å; R122-D224 PolarHBondContact NH2-OD1 3.29Å; R122-D224 IonicContact NH2-OD2 3.22Å; R122-D224 PolarHBondContact NH2-OD2 3.49Å; D224-N226 PolarHBondContact O-N 3.1Å; D224-N227 PolarHBondContact O-N 3.23Å
225	V	68	Low	85.7	Confident	109 Å²	109	77.5 Å²	77.5	66%	0.661	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-69.2	109.4	179.7	-171.9	0	0	0	0	107.7	F223 N227	F223-V225 PolarHBondContact O-N 3.45Å; V225-N227 VanDerWaalsContact C-N 3.26Å; V225-N227 PolarHBondContact O-N 3.3Å
226	N	68.3	Low	85.5	Confident	120 Å²	120	77.9 Å²	77.9	64%	0.642	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	67.4	10.7	178.7	-51.6	-41.1	0	0	0	116.3	D224 F228	D224-N226 PolarHBondContact O-N 3.1Å; N226-F228 HydrophobicContact CB-CD2 3.42Å; N226-F228 VanDerWaalsContact CB-CD2 3.42Å; N226-F228 HydrophobicContact CB-CE2 3.25Å; N226-F228 HydrophobicContact CB-CG 4.26Å; N226-F228 HydrophobicContact CB-CZ 3.99Å; N226-F228 WeakPolarHBondContact ND2-CE2 3.44Å; N226-F228 PolarHBondContact O-N 3.49Å; N226-F228 VanDerWaalsContact O-N 3.1Å
227	N	74.5	Confident	85.5	Confident	91 Å²	91	80.7 Å²	80.7	49%	0.487	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	56.8	27.6	176.5	-157.8	48	0	0	0	113.3	R222 F223 D224 V225 T229	R222-N227 WeakPolarHBondContact CD-OD1 3.26Å; R222-N227 PolarHBondContact NE-OD1 3.07Å; R222-N227 VanDerWaalsContact NE-OD1 3.13Å; R222-N227 PolarHBondContact NH1-OD1 3.45Å; F223-N227 WeakPolarHBondContact O-CA 3.33Å; F223-N227 PolarHBondContact O-N 3.16Å; D224-N227 PolarHBondContact O-N 3.23Å; V225-N227 VanDerWaalsContact C-N 3.26Å; V225-N227 PolarHBondContact O-N 3.3Å; N227-T229 PolarHBondContact O-N 2.96Å
228	F	81.6	Confident	85.6	Confident	132 Å²	132	83.2 Å²	83.2	58%	0.579	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-72.9	124.2	-177.1	-76.6	-59.1	0	0	0	111.3	R222 F223 N226	R222-F228 WeakPolarHBondContact CA-O 3.46Å; F223-F228 PolarHBondContact N-O 3.41Å; N226-F228 HydrophobicContact CB-CD2 3.42Å; N226-F228 VanDerWaalsContact CB-CD2 3.42Å; N226-F228 HydrophobicContact CB-CE2 3.25Å; N226-F228 HydrophobicContact CB-CG 4.26Å; N226-F228 HydrophobicContact CB-CZ 3.99Å; N226-F228 WeakPolarHBondContact ND2-CE2 3.44Å; N226-F228 PolarHBondContact O-N 3.49Å; N226-F228 VanDerWaalsContact O-N 3.1Å
229	T	85.7	Confident	85.1	Confident	74 Å²	74	84.9 Å²	84.9	45%	0.454	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-72.1	127.7	169	-51.7	0	0	0	0	109.8	I221 N227 Y319	I221-T229 CarbonylContact O-C 3.59Å; I221-T229 WeakPolarHBondContact O-CA 3.36Å; N227-T229 PolarHBondContact O-N 2.96Å; T229-Y319 HydrophobicContact CG2-CE1 3.76Å
230	I	90	Very high	84.8	Confident	53 Å²	53	84.6 Å²	84.6	27%	0.272	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-65.9	140	176.7	-63.6	173.4	0	0	0	108.6	Q220 I221 F223 Y319	Q220-I230 HydrophobicContact CB-CD1 4.38Å; Q220-I230 HydrophobicContact CG-CD1 4.11Å; Q220-I230 WeakPolarHBondContact O-CD1 3.41Å; I221-I230 PolarHBondContact O-N 3.39Å; F223-I230 HydrophobicContact CD2-CD1 4.06Å; F223-I230 HydrophobicContact CD2-CG1 3.93Å; F223-I230 HydrophobicContact CE1-CD1 4.48Å; F223-I230 HydrophobicContact CE2-CD1 3.47Å; F223-I230 VanDerWaalsContact CE2-CD1 3.47Å; F223-I230 HydrophobicContact CE2-CG1 3.55Å; F223-I230 HydrophobicContact CZ-CD1 3.71Å; F223-I230 HydrophobicContact CZ-CG1 4.3Å; I230-Y319 WeakPolarHBondContact O-CE1 3.42Å; I230-Y319 PolarHBondContact O-OH 3.45Å
231	R	89.4	Confident	84.7	Confident	205 Å²	205	83.2 Å²	83.2	77%	0.774	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-63.3	133.1	178.7	-176.1	-179.7	176.7	175.9	-0.3	109.9
232	P	90.1	Very high	84.8	Confident	53 Å²	53	88.8 Å²	88.8	34%	0.344	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-67.5	144.8	-179.2	27	-33.8	0	0	0	111.8	E254 Y319	P232-E254 HydrophobicContact CB-CB 3.58Å; P232-E254 HydrophobicContact CB-CG 4.15Å; P232-Y319 HydrophobicContact CB-CD1 3.69Å; P232-Y319 HydrophobicContact CB-CD2 4.03Å; P232-Y319 HydrophobicContact CB-CE1 3.76Å; P232-Y319 HydrophobicContact CB-CE2 4.11Å; P232-Y319 HydrophobicContact CB-CG 3.81Å; P232-Y319 HydrophobicContact CG-CD1 3.7Å; P232-Y319 HydrophobicContact CG-CE1 3.98Å; P232-Y319 HydrophobicContact CG-CG 4.15Å
233	E	87.5	Confident	85.2	Confident	121 Å²	121	88.8 Å²	88.8	57%	0.565	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-69.8	138.4	165.9	-64.4	-173.6	178.9	0	0	110.3	N235 A236 E254	E233-N235 VanDerWaalsContact C-N 3.32Å; E233-N235 PolarHBondContact O-N 2.85Å; E233-A236 HydrophobicContact CB-CB 4.46Å; E233-E254 VanDerWaalsContact CB-OE2 3.28Å; E233-E254 WeakPolarHBondContact CB-OE2 3.33Å; E233-E254 WeakPolarHBondContact CG-OE2 3.34Å; E233-E254 PolarHBondContact N-OE2 3.12Å
234	M	81.7	Confident	85.9	Confident	153 Å²	153	84.1 Å²	84.1	75%	0.754	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.9	-177.7	-69.5	-173.5	-76	0	0	113.6
235	N	87.8	Confident	87	Confident	146 Å²	146	80.1 Å²	80.1	78%	0.781	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.3	60	-178.4	-68.7	-53.3	0	0	0	110	E233 S237 G252	E233-N235 VanDerWaalsContact C-N 3.32Å; E233-N235 PolarHBondContact O-N 2.85Å; N235-S237 PolarHBondContact O-N 3.27Å; N235-G252 CarbonylContact C-O 3.48Å
236	A	89.9	Confident	88.4	Confident	10 Å²	10	74.9 Å²	74.9	8%	0.083	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-61.2	132.5	-178.3	0	0	0	0	0	110.5	E233 F238 G252 E254	E233-A236 HydrophobicContact CB-CB 4.46Å; A236-F238 PolarHBondContact O-N 3.43Å; A236-G252 PolarHBondContact N-O 2.95Å; A236-G252 WeakPolarHBondContact O-CA 3.3Å; A236-E254 HydrophobicContact CB-CB 4.48Å
237	S	89	Confident	89.7	Confident	84 Å²	84	69.7 Å²	69.7	59%	0.587	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-65.9	134.9	175.7	65.8	0	0	0	0	110.4	N235 C239	N235-S237 PolarHBondContact O-N 3.27Å; S237-C239 PolarHBondContact O-N 3.42Å
238	F	92.5	Very high	90.8	Very high	65 Å²	65	66.1 Å²	66.1	29%	0.285	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-56.8	128.2	174.4	178	-92.8	0	0	0	111	A236 G240 R242 A245 A249 F284	A236-F238 PolarHBondContact O-N 3.43Å; F238-G240 WeakPolarHBondContact CE1-O 3.18Å; F238-G240 WeakPolarHBondContact CZ-O 3.47Å; F238-R242 HydrophobicContact CE1-CG 3.94Å; F238-R242 HydrophobicContact CZ-CB 4.48Å; F238-R242 HydrophobicContact CZ-CG 3.95Å; F238-A245 HydrophobicContact CE2-CB 3.74Å; F238-A245 HydrophobicContact CZ-CB 4.01Å; F238-A249 HydrophobicContact CD2-CB 3.96Å; F238-A249 HydrophobicContact CE2-CB 3.96Å; F238-F284 HydrophobicContact CB-CE2 4.46Å; F238-F284 HydrophobicContact CB-CZ 4.06Å; F238-F284 HydrophobicContact CD1-CE2 4.12Å; F238-F284 AromaticContact CD2-CE2 3.78Å; F238-F284 HydrophobicContact CD2-CE2 3.78Å; F238-F284 AromaticContact CD2-CZ 3.65Å; F238-F284 HydrophobicContact CD2-CZ 3.65Å; F238-F284 HydrophobicContact CE1-CE2 4.34Å; F238-F284 HydrophobicContact CE2-CE2 4.02Å; F238-F284 HydrophobicContact CE2-CZ 4.26Å; F238-F284 AromaticContact CG-CE2 3.84Å; F238-F284 HydrophobicContact CG-CE2 3.84Å; F238-F284 AromaticContact CG-CZ 3.81Å; F238-F284 HydrophobicContact CG-CZ 3.81Å; F238-F284 HydrophobicContact CZ-CE2 4.31Å
239	C	85.8	Confident	91.4	Very high	35 Å²	35	60.1 Å²	60.1	24%	0.236	31%	0.31	C	S	.	.			trans	-131.5	146.2	174.7	-162.4	0	0	0	0	109.2	S237	S237-C239 PolarHBondContact O-N 3.42Å
240	G	85.9	Confident	91.9	Very high	24 Å²	24	57.4 Å²	57.4	25%	0.247	29%	0.292	C	S	.	.	S	Bend	trans	95	-167.7	177.4	0	0	0	0	0	115.5	D193 F238	D193-G240 VanDerWaalsContact CG-CA 3.48Å; D193-G240 WeakPolarHBondContact OD1-CA 3.13Å; F238-G240 WeakPolarHBondContact CE1-O 3.18Å; F238-G240 WeakPolarHBondContact CZ-O 3.47Å
241	S	92.1	Very high	92.1	Very high	24 Å²	24	59.5 Å²	59.5	17%	0.168	30%	0.297	C	S	.	.			trans	-79.3	126.3	-176.5	171	0	0	0	0	113.2	D193 L243 H244 A245	D193-S241 PolarHBondContact OD1-N 2.94Å; S241-L243 PolarHBondContact O-N 3.29Å; S241-L243 VanDerWaalsContact O-N 3.13Å; S241-L243 PolarHBondContact OG-N 2.94Å; S241-H244 PolarHBondContact O-N 3.31Å; S241-A245 WeakPolarHBondContact O-CB 3.46Å; S241-A245 PolarHBondContact O-N 3.03Å
242	R	95.2	Very high	92.3	Very high	130 Å²	130	50.6 Å²	50.6	49%	0.491	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.7	173.1	-66.6	-177.2	-176.2	175	3.1	112.9	F238 F284 K291	F238-R242 HydrophobicContact CE1-CG 3.94Å; F238-R242 HydrophobicContact CZ-CB 4.48Å; F238-R242 HydrophobicContact CZ-CG 3.95Å; R242-F284 HydrophobicContact CG-CD2 4.36Å; R242-F284 HydrophobicContact CG-CE2 4.43Å; R242-K291 PolarHBondContact O-NZ 3.3Å
243	L	96.7	Very high	92.5	Very high	44 Å²	44	51.9 Å²	51.9	23%	0.23	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-44.8	-178.5	-173.3	59	0	0	0	111.4	S241 L276 W278 K291	S241-L243 PolarHBondContact O-N 3.29Å; S241-L243 VanDerWaalsContact O-N 3.13Å; S241-L243 PolarHBondContact OG-N 2.94Å; L243-L276 HydrophobicContact CD1-CB 4.29Å; L243-L276 HydrophobicContact CD1-CD1 3.85Å; L243-L276 HydrophobicContact CG-CD1 3.96Å; L243-W278 PolarHBondContact O-NE1 3.41Å; L243-K291 PolarHBondContact O-NZ 3.1Å
244	H	98	Very high	92.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.019	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-17.1	-170.9	-54.6	108.8	0	0	0	114.8	V194 R195 P196 S241 S263 Y266 D270	V194-H244 VanDerWaalsContact O-CB 3.27Å; V194-H244 WeakPolarHBondContact O-CB 3.39Å; R195-H244 HydrophobicContact CB-CB 4.44Å; R195-H244 WeakPolarHBondContact CB-ND1 3.38Å; P196-H244 VanDerWaalsContact CD-CE1 3.43Å; P196-H244 WeakPolarHBondContact CD-CE1 3.44Å; S241-H244 PolarHBondContact O-N 3.31Å; H244-S263 WeakPolarHBondContact O-CA 3.46Å; H244-S263 WeakPolarHBondContact O-CB 3.39Å; H244-S263 PolarHBondContact O-OG 3.49Å; H244-Y266 WeakPolarHBondContact O-CD2 3.31Å; H244-D270 IonicContact CE1-OD2 3.36Å; H244-D270 IonicContact NE2-OD2 2.71Å; H244-D270 PolarHBondContact NE2-OD2 3.09Å
245	A	97.5	Very high	93.5	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.041	22%	0.217	C	C	.	.	S	Bend	trans	-57.3	147.7	-179	0	0	0	0	0	112.2	F238 S241 A249 S263 K291	F238-A245 HydrophobicContact CE2-CB 3.74Å; F238-A245 HydrophobicContact CZ-CB 4.01Å; S241-A245 WeakPolarHBondContact O-CB 3.46Å; S241-A245 PolarHBondContact O-N 3.03Å; A245-A249 HydrophobicContact CB-CB 3.93Å; A245-S263 WeakPolarHBondContact CA-OG 3.44Å; A245-K291 WeakPolarHBondContact O-CD 3.3Å; A245-K291 WeakPolarHBondContact O-CE 3.38Å; A245-K291 PolarHBondContact O-NZ 3.17Å
246	S	97.2	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.			trans	-60.4	163	175.3	86	0	0	0	0	111.5	N248 A249 H250 D259 S263	S246-N248 PolarHBondContact O-N 3.29Å; S246-N248 PolarHBondContact OG-N 2.84Å; S246-A249 WeakPolarHBondContact O-CB 3.41Å; S246-A249 PolarHBondContact O-N 2.86Å; S246-A249 PolarHBondContact OG-N 2.97Å; S246-H250 PolarHBondContact O-CD2 3.24Å; S246-D259 VanDerWaalsContact CB-OD1 3.28Å; S246-D259 WeakPolarHBondContact CB-OD1 3.32Å; S246-D259 PolarHBondContact OG-OD1 2.91Å; S246-S263 PolarHBondContact N-OG 3.31Å
247	F	96.4	Very high	94.2	Very high	10 Å²	10	33.1 Å²	33.1	4%	0.044	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-34	174	56.9	-88.8	0	0	0	111.7	A249 H250 Y251 I262 K291 R292 K315	F247-A249 VanDerWaalsContact C-N 3.26Å; F247-A249 PolarHBondContact O-N 2.8Å; F247-H250 WeakPolarHBondContact O-CB 2.99Å; F247-H250 PolarHBondContact O-N 2.9Å; F247-Y251 HydrophobicContact CB-CE2 4.5Å; F247-Y251 WeakPolarHBondContact O-CD2 3.28Å; F247-Y251 PolarHBondContact O-N 3.29Å; F247-I262 HydrophobicContact CE1-CD1 3.85Å; F247-I262 HydrophobicContact CZ-CD1 4.44Å; F247-K291 HydrophobicContact CB-CB 3.78Å; F247-R292 HydrophobicContact CB-CB 4.3Å; F247-R292 HydrophobicContact CD2-CG 4.49Å; F247-R292 HydrophobicContact CG-CB 4.49Å; F247-K315 HydrophobicContact CE1-CG 3.9Å; F247-K315 HydrophobicContact CZ-CB 4.45Å; F247-K315 HydrophobicContact CZ-CG 4.31Å
248	N	96.1	Very high	94.6	Very high	17 Å²	17	29.1 Å²	29.1	9%	0.091	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-37.8	179.5	-68.4	-32.4	0	0	0	112.3	S246 H250 Y251 G252 L253 L255 H258 D259	S246-N248 PolarHBondContact O-N 3.29Å; S246-N248 PolarHBondContact OG-N 2.84Å; N248-H250 VanDerWaalsContact C-N 3.26Å; N248-H250 PolarHBondContact O-N 2.72Å; N248-Y251 CarbonylContact O-C 3.56Å; N248-Y251 PolarHBondContact O-N 2.96Å; N248-G252 PolarHBondContact O-N 3.3Å; N248-L253 HydrophobicContact CB-CB 4.15Å; N248-L253 HydrophobicContact CB-CD1 4.13Å; N248-L253 PolarHBondContact O-N 2.88Å; N248-L255 HydrophobicContact CB-CD2 4.09Å; N248-H258 PolarHBondContact ND2-NE2 3.21Å; N248-D259 WeakPolarHBondContact CB-OD1 3.47Å; N248-D259 PolarHBondContact ND2-OD1 3.38Å
249	A	95.9	Very high	94.8	Very high	6 Å²	6	26.2 Å²	26.2	5%	0.05	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-38	175.1	0	0	0	0	0	112.4	F238 A245 S246 F247 Y251 G252 L255	F238-A249 HydrophobicContact CD2-CB 3.96Å; F238-A249 HydrophobicContact CE2-CB 3.96Å; A245-A249 HydrophobicContact CB-CB 3.93Å; S246-A249 WeakPolarHBondContact O-CB 3.41Å; S246-A249 PolarHBondContact O-N 2.86Å; S246-A249 PolarHBondContact OG-N 2.97Å; F247-A249 VanDerWaalsContact C-N 3.26Å; F247-A249 PolarHBondContact O-N 2.8Å; A249-Y251 VanDerWaalsContact C-N 3.26Å; A249-Y251 PolarHBondContact O-N 3.31Å; A249-G252 PolarHBondContact O-N 3.2Å; A249-L255 HydrophobicContact CB-CD1 4.12Å; A249-L255 HydrophobicContact CB-CD2 3.94Å
250	H	95.9	Very high	95.4	Very high	17 Å²	17	24.6 Å²	24.6	8%	0.079	13%	0.126	C	C	.	.	H	α-helix	trans	-70.8	-21	177.2	-74.1	-98.5	0	0	0	113.5	S246 F247 N248 F284 I287 K291	S246-H250 PolarHBondContact O-CD2 3.24Å; F247-H250 WeakPolarHBondContact O-CB 2.99Å; F247-H250 PolarHBondContact O-N 2.9Å; N248-H250 VanDerWaalsContact C-N 3.26Å; N248-H250 PolarHBondContact O-N 2.72Å; H250-F284 HydrophobicContact CB-CE1 4.4Å; H250-F284 HydrophobicContact CB-CZ 4.4Å; H250-F284 AromaticContact CE1-CE2 3.98Å; H250-F284 AromaticContact ND1-CD2 3.96Å; H250-F284 AromaticContact ND1-CE2 3.71Å; H250-F284 AromaticContact ND1-CZ 3.75Å; H250-F284 PolarHBondContact ND1-O 2.83Å; H250-F284 VanDerWaalsContact ND1-O 3.07Å; H250-I287 WeakPolarHBondContact CE1-CG2 3.39Å; H250-K291 PolarHBondContact NE2-NZ 2.9Å
251	Y	94.2	Very high	96	Very high	96 Å²	96	23.5 Å²	23.5	38%	0.376	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.5	177.1	-69.8	-81	0	0	0	113	F247 N248 A249 L253 R292	F247-Y251 HydrophobicContact CB-CE2 4.5Å; F247-Y251 WeakPolarHBondContact O-CD2 3.28Å; F247-Y251 PolarHBondContact O-N 3.29Å; N248-Y251 CarbonylContact O-C 3.56Å; N248-Y251 PolarHBondContact O-N 2.96Å; A249-Y251 VanDerWaalsContact C-N 3.26Å; A249-Y251 PolarHBondContact O-N 3.31Å; Y251-L253 PolarHBondContact O-N 2.86Å; Y251-R292 HydrophobicContact CE2-CB 4.36Å
252	G	93.7	Very high	96.3	Very high	18 Å²	18	22.3 Å²	22.3	19%	0.186	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	23.4	179	0	0	0	0	0	113.8	N235 A236 N248 A249	N235-G252 CarbonylContact C-O 3.48Å; A236-G252 PolarHBondContact N-O 2.95Å; A236-G252 WeakPolarHBondContact O-CA 3.3Å; N248-G252 PolarHBondContact O-N 3.3Å; A249-G252 PolarHBondContact O-N 3.2Å
253	L	94.4	Very high	96.5	Very high	80 Å²	80	16.4 Å²	16.4	42%	0.419	9%	0.085	S	C	.	.	P	Polyproline II helix	trans	-82.4	145.5	174.4	-57.3	-179.7	0	0	0	109.7	N248 Y251 L255	N248-L253 HydrophobicContact CB-CB 4.15Å; N248-L253 HydrophobicContact CB-CD1 4.13Å; N248-L253 PolarHBondContact O-N 2.88Å; Y251-L253 PolarHBondContact O-N 2.86Å; L253-L255 PolarHBondContact O-N 3.19Å
254	E	94.2	Very high	96.6	Very high	16 Å²	16	14.3 Å²	14.3	8%	0.075	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-63	135.4	171.2	-164.7	67.5	-94	0	0	110.6	R192 L219 P232 E233 A236 Y319	R192-E254 IonicContact NH1-OE1 3.83Å; L219-E254 VanDerWaalsContact CD2-CD 3.43Å; L219-E254 HydrophobicContact CD2-CG 3.93Å; L219-E254 WeakPolarHBondContact CD2-OE1 3.38Å; P232-E254 HydrophobicContact CB-CB 3.58Å; P232-E254 HydrophobicContact CB-CG 4.15Å; E233-E254 VanDerWaalsContact CB-OE2 3.28Å; E233-E254 WeakPolarHBondContact CB-OE2 3.33Å; E233-E254 WeakPolarHBondContact CG-OE2 3.34Å; E233-E254 PolarHBondContact N-OE2 3.12Å; A236-E254 HydrophobicContact CB-CB 4.48Å; E254-Y319 HydrophobicContact CB-CD2 3.93Å; E254-Y319 HydrophobicContact CB-CE2 3.86Å; E254-Y319 HydrophobicContact CG-CD2 4.04Å; E254-Y319 HydrophobicContact CG-CE2 3.45Å; E254-Y319 VanDerWaalsContact CG-CE2 3.45Å; E254-Y319 WeakPolarHBondContact O-CD2 3.41Å
255	L	95.2	Very high	96.6	Very high	13 Å²	13	14.1 Å²	14.1	7%	0.068	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-86.7	146.5	-174.2	-57	-173	0	0	0	112	V190 R192 N248 A249 L253 D259 Y319	V190-L255 HydrophobicContact CG1-CB 4.29Å; R192-L255 HydrophobicContact CB-CD1 4.01Å; R192-L255 HydrophobicContact CG-CB 4.15Å; R192-L255 HydrophobicContact CG-CD1 3.9Å; N248-L255 HydrophobicContact CB-CD2 4.09Å; A249-L255 HydrophobicContact CB-CD1 4.12Å; A249-L255 HydrophobicContact CB-CD2 3.94Å; L253-L255 PolarHBondContact O-N 3.19Å; L255-D259 WeakPolarHBondContact CA-OD2 3.2Å; L255-D259 HydrophobicContact CB-CB 4.21Å; L255-D259 HydrophobicContact CD2-CB 4.11Å; L255-Y319 WeakPolarHBondContact O-CE2 3.23Å
256	S	95.1	Very high	96.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.			trans	-129.8	167.8	-175.6	-175.3	0	0	0	0	109.3	H258 D259 G320	S256-H258 VanDerWaalsContact CB-CE1 3.48Å; S256-H258 WeakPolarHBondContact CB-CE1 3.45Å; S256-H258 PolarHBondContact O-N 3.3Å; S256-D259 PolarHBondContact N-OD2 3.42Å; S256-D259 VanDerWaalsContact O-CB 3.3Å; S256-D259 WeakPolarHBondContact O-CB 3.35Å; S256-D259 PolarHBondContact O-N 2.91Å; S256-G320 PolarHBondContact OG-N 3.2Å
257	P	96.7	Very high	96.7	Very high	7 Å²	7	13.9 Å²	13.9	5%	0.045	7%	0.071	C	C	.	.	H	α-helix	trans	-48.2	-33.9	-177.1	-40.7	47.4	0	0	0	115.7	H185 V190 I221 D259 D260 F323	H185-P257 HydrophobicContact CB-CB 4.33Å; H185-P257 HydrophobicContact CB-CG 4.25Å; H185-P257 PolarHBondContact CE1-O 2.74Å; H185-P257 VanDerWaalsContact ND1-CB 3.34Å; H185-P257 WeakPolarHBondContact ND1-CB 3.47Å; V190-P257 HydrophobicContact CG2-CG 4.18Å; I221-P257 HydrophobicContact CD1-CG 3.63Å; P257-D259 VanDerWaalsContact C-N 3.27Å; P257-D259 PolarHBondContact O-N 2.82Å; P257-D260 PolarHBondContact O-N 2.96Å; P257-F323 VanDerWaalsContact C-CE1 3.5Å; P257-F323 HydrophobicContact CB-CE1 3.64Å; P257-F323 HydrophobicContact CB-CZ 4.29Å
258	H	97.3	Very high	96.8	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-71.4	-24.4	-178.6	65.9	-83.3	0	0	0	112.4	N248 S256 I261 I262 L314 F317 T318 F323	N248-H258 PolarHBondContact ND2-NE2 3.21Å; S256-H258 VanDerWaalsContact CB-CE1 3.48Å; S256-H258 WeakPolarHBondContact CB-CE1 3.45Å; S256-H258 PolarHBondContact O-N 3.3Å; H258-I261 PolarHBondContact O-N 3.27Å; H258-I262 WeakPolarHBondContact O-CG1 3.14Å; H258-I262 PolarHBondContact O-N 3.32Å; H258-L314 HydrophobicContact CB-CD2 3.96Å; H258-F317 HydrophobicContact CB-CB 3.97Å; H258-F317 HydrophobicContact CB-CG 4.36Å; H258-F317 PolarHBondContact NE2-O 3.07Å; H258-T318 PolarHBondContact CE1-O 3.22Å; H258-F323 HydrophobicContact CB-CD1 4.09Å; H258-F323 HydrophobicContact CB-CE1 3.95Å
259	D	97.8	Very high	96.9	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-68	-40.3	177	-67.9	-66.5	0	0	0	111.6	S246 N248 L255 S256 P257 I261 I262 S263	S246-D259 VanDerWaalsContact CB-OD1 3.28Å; S246-D259 WeakPolarHBondContact CB-OD1 3.32Å; S246-D259 PolarHBondContact OG-OD1 2.91Å; N248-D259 WeakPolarHBondContact CB-OD1 3.47Å; N248-D259 PolarHBondContact ND2-OD1 3.38Å; L255-D259 WeakPolarHBondContact CA-OD2 3.2Å; L255-D259 HydrophobicContact CB-CB 4.21Å; L255-D259 HydrophobicContact CD2-CB 4.11Å; S256-D259 PolarHBondContact N-OD2 3.42Å; S256-D259 VanDerWaalsContact O-CB 3.3Å; S256-D259 WeakPolarHBondContact O-CB 3.35Å; S256-D259 PolarHBondContact O-N 2.91Å; P257-D259 VanDerWaalsContact C-N 3.27Å; P257-D259 PolarHBondContact O-N 2.82Å; D259-I261 VanDerWaalsContact C-N 3.31Å; D259-I261 PolarHBondContact O-N 2.86Å; D259-I262 PolarHBondContact O-N 3.05Å; D259-S263 PolarHBondContact O-N 3.1Å; D259-S263 PolarHBondContact O-OG 3.14Å
260	D	98.3	Very high	97	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-63.4	-37.8	174.8	-81.8	-14.3	0	0	0	111.5	L181 H185 V190 L191 R192 V194 P257 S263 L264	L181-D260 HydrophobicContact CD1-CB 4.23Å; L181-D260 HydrophobicContact CD2-CB 4.11Å; H185-D260 IonicContact CD2-OD2 2.84Å; H185-D260 IonicContact NE2-OD2 3.22Å; H185-D260 PolarHBondContact NE2-OD2 3.23Å; H185-D260 VanDerWaalsContact NE2-OD2 3.07Å; V190-D260 WeakPolarHBondContact CG1-OD2 3.47Å; L191-D260 WeakPolarHBondContact CB-OD2 3.34Å; L191-D260 PolarHBondContact N-OD2 3.27Å; R192-D260 WeakPolarHBondContact CA-OD1 3.43Å; R192-D260 PolarHBondContact N-OD1 2.94Å; V194-D260 HydrophobicContact CG2-CB 3.9Å; P257-D260 PolarHBondContact O-N 2.96Å; D260-S263 WeakPolarHBondContact O-CB 3.35Å; D260-S263 PolarHBondContact O-N 2.81Å; D260-L264 PolarHBondContact O-N 3.48Å
261	I	98.4	Very high	97	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-71.1	-37.7	175.8	-55.8	-57.1	0	0	0	112	L181 H258 D259 S263 L264 F265 L314 F323 I328	L181-I261 HydrophobicContact CB-CD1 4.29Å; L181-I261 HydrophobicContact CD1-CD1 3.96Å; H258-I261 PolarHBondContact O-N 3.27Å; D259-I261 VanDerWaalsContact C-N 3.31Å; D259-I261 PolarHBondContact O-N 2.86Å; I261-S263 PolarHBondContact O-N 3.22Å; I261-L264 HydrophobicContact CD1-CD2 4.49Å; I261-L264 WeakPolarHBondContact O-CB 3.43Å; I261-L264 PolarHBondContact O-N 3.43Å; I261-F265 HydrophobicContact CG2-CE1 4.1Å; I261-F265 HydrophobicContact CG2-CE2 4.22Å; I261-F265 HydrophobicContact CG2-CZ 3.93Å; I261-F265 PolarHBondContact O-N 2.9Å; I261-L314 HydrophobicContact CB-CD1 4.04Å; I261-L314 HydrophobicContact CB-CD2 4.48Å; I261-L314 HydrophobicContact CG2-CD1 3.46Å; I261-L314 VanDerWaalsContact CG2-CD1 3.46Å; I261-L314 HydrophobicContact CG2-CD2 4.47Å; I261-F323 HydrophobicContact CB-CZ 4.44Å; I261-F323 HydrophobicContact CD1-CE2 4.46Å; I261-F323 HydrophobicContact CD1-CZ 4.23Å; I261-F323 HydrophobicContact CG1-CE1 4.35Å; I261-F323 HydrophobicContact CG1-CE2 3.74Å; I261-F323 HydrophobicContact CG1-CZ 3.35Å; I261-I328 HydrophobicContact CG1-CD1 4.43Å; I261-I328 HydrophobicContact CG2-CD1 3.79Å
262	I	98.2	Very high	97.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.6	-43.9	171.4	-73	164	0	0	0	109.8	F247 H258 D259 F265 Y266 Y311 L314	F247-I262 HydrophobicContact CE1-CD1 3.85Å; F247-I262 HydrophobicContact CZ-CD1 4.44Å; H258-I262 WeakPolarHBondContact O-CG1 3.14Å; H258-I262 PolarHBondContact O-N 3.32Å; D259-I262 PolarHBondContact O-N 3.05Å; I262-F265 PolarHBondContact O-N 3Å; I262-Y266 HydrophobicContact CG2-CD2 4.09Å; I262-Y266 HydrophobicContact CG2-CE1 4.26Å; I262-Y266 HydrophobicContact CG2-CE2 3.47Å; I262-Y266 VanDerWaalsContact CG2-CE2 3.47Å; I262-Y266 PolarHBondContact O-N 2.96Å; I262-Y311 HydrophobicContact CG2-CE2 4.17Å; I262-L314 HydrophobicContact CD1-CB 4.27Å; I262-L314 HydrophobicContact CG1-CB 3.97Å; I262-L314 HydrophobicContact CG1-CD1 4.4Å
263	S	98.6	Very high	97.1	Very high	5 Å²	5	10.7 Å²	10.7	4%	0.035	5%	0.054	C	C	.	.	H	α-helix	trans	-64.4	-38.1	176	-71.3	0	0	0	0	113.1	H244 A245 S246 D259 D260 I261 F265 Y266 M267	H244-S263 WeakPolarHBondContact O-CA 3.46Å; H244-S263 WeakPolarHBondContact O-CB 3.39Å; H244-S263 PolarHBondContact O-OG 3.49Å; A245-S263 WeakPolarHBondContact CA-OG 3.44Å; S246-S263 PolarHBondContact N-OG 3.31Å; D259-S263 PolarHBondContact O-N 3.1Å; D259-S263 PolarHBondContact O-OG 3.14Å; D260-S263 WeakPolarHBondContact O-CB 3.35Å; D260-S263 PolarHBondContact O-N 2.81Å; I261-S263 PolarHBondContact O-N 3.22Å; S263-F265 VanDerWaalsContact C-N 3.34Å; S263-F265 PolarHBondContact O-N 2.95Å; S263-Y266 PolarHBondContact O-N 3.25Å; S263-M267 WeakPolarHBondContact O-CB 3.48Å; S263-M267 PolarHBondContact O-N 2.95Å
264	L	98.8	Very high	97.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.4	-45.3	171.4	172.4	57.9	0	0	0	111.1	C177 A178 L181 V194 D260 I261 Y266 M267 M268	C177-L264 HydrophobicContact CB-CD1 3.53Å; C177-L264 HydrophobicContact CB-CD2 4.28Å; A178-L264 HydrophobicContact CB-CD2 3.9Å; L181-L264 HydrophobicContact CD1-CB 4.22Å; L181-L264 HydrophobicContact CD1-CD2 4.22Å; V194-L264 HydrophobicContact CG1-CB 4.12Å; D260-L264 PolarHBondContact O-N 3.48Å; I261-L264 HydrophobicContact CD1-CD2 4.49Å; I261-L264 WeakPolarHBondContact O-CB 3.43Å; I261-L264 PolarHBondContact O-N 3.43Å; L264-Y266 PolarHBondContact O-N 2.86Å; L264-M267 HydrophobicContact CD1-CE 3.65Å; L264-M267 WeakPolarHBondContact O-CB 3.32Å; L264-M267 PolarHBondContact O-N 3.4Å; L264-M268 HydrophobicContact CD1-CG 4.11Å; L264-M268 HydrophobicContact CD1-SD 4.24Å; L264-M268 HydrophobicContact CG-SD 4.14Å; L264-M268 VanDerWaalsContact O-CG 3.29Å; L264-M268 WeakPolarHBondContact O-CG 3.47Å; L264-M268 PolarHBondContact O-N 2.94Å
265	F	98.7	Very high	97.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-38.6	178.3	-69.3	-10.7	0	0	0	112.7	I261 I262 S263 M267 M268 A269 F300 I307 M310 Y311 L314 I328	I261-F265 HydrophobicContact CG2-CE1 4.1Å; I261-F265 HydrophobicContact CG2-CE2 4.22Å; I261-F265 HydrophobicContact CG2-CZ 3.93Å; I261-F265 PolarHBondContact O-N 2.9Å; I262-F265 PolarHBondContact O-N 3Å; S263-F265 VanDerWaalsContact C-N 3.34Å; S263-F265 PolarHBondContact O-N 2.95Å; F265-M267 VanDerWaalsContact C-N 3.34Å; F265-M268 HydrophobicContact CD1-SD 4Å; F265-M268 HydrophobicContact CE1-SD 4.5Å; F265-M268 PolarHBondContact O-N 3.17Å; F265-A269 WeakPolarHBondContact O-CB 3.32Å; F265-A269 PolarHBondContact O-N 3.13Å; F265-F300 HydrophobicContact CB-CE1 3.8Å; F265-F300 HydrophobicContact CB-CZ 3.99Å; F265-I307 HydrophobicContact CD1-CG2 4.5Å; F265-I307 HydrophobicContact CD2-CG2 4.49Å; F265-I307 HydrophobicContact CG-CG2 4.37Å; F265-M310 HydrophobicContact CE2-CB 3.73Å; F265-M310 HydrophobicContact CZ-CB 3.86Å; F265-M310 HydrophobicContact CZ-CE 3.97Å; F265-M310 HydrophobicContact CZ-SD 4.28Å; F265-Y311 HydrophobicContact CD2-CD2 4.43Å; F265-L314 HydrophobicContact CD2-CD1 3.98Å; F265-L314 HydrophobicContact CE2-CD1 3.46Å; F265-L314 VanDerWaalsContact CE2-CD1 3.46Å; F265-L314 HydrophobicContact CZ-CD1 4.17Å; F265-I328 HydrophobicContact CE1-CG2 4.34Å; F265-I328 HydrophobicContact CZ-CG2 4.17Å
266	Y	98.7	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64	-40.3	171.9	-63.6	-23.3	0	0	0	111.9	H244 I262 S263 L264 A269 D270 W278 K291 I299 Y311	H244-Y266 WeakPolarHBondContact O-CD2 3.31Å; I262-Y266 HydrophobicContact CG2-CD2 4.09Å; I262-Y266 HydrophobicContact CG2-CE1 4.26Å; I262-Y266 HydrophobicContact CG2-CE2 3.47Å; I262-Y266 VanDerWaalsContact CG2-CE2 3.47Å; I262-Y266 PolarHBondContact O-N 2.96Å; S263-Y266 PolarHBondContact O-N 3.25Å; L264-Y266 PolarHBondContact O-N 2.86Å; Y266-A269 PolarHBondContact O-N 3.3Å; Y266-D270 PolarHBondContact O-N 3.11Å; Y266-W278 AromaticContact CD1-CH2 3.97Å; Y266-W278 HydrophobicContact CD1-CH2 3.97Å; Y266-W278 AromaticContact CD1-CZ2 3.95Å; Y266-W278 HydrophobicContact CD1-CZ2 3.95Å; Y266-W278 HydrophobicContact CD2-CZ2 4.03Å; Y266-W278 AromaticContact CE1-CH2 3.67Å; Y266-W278 HydrophobicContact CE1-CH2 3.67Å; Y266-W278 HydrophobicContact CE1-CZ2 4.03Å; Y266-W278 HydrophobicContact CE2-CH2 4.33Å; Y266-W278 HydrophobicContact CE2-CZ2 4.09Å; Y266-W278 HydrophobicContact CG-CH2 4.44Å; Y266-W278 AromaticContact CG-CZ2 3.97Å; Y266-W278 HydrophobicContact CG-CZ2 3.97Å; Y266-W278 AromaticContact CZ-CH2 3.87Å; Y266-K291 HydrophobicContact CE2-CD 4.09Å; Y266-K291 HydrophobicContact CE2-CG 4.18Å; Y266-I299 HydrophobicContact CD1-CG2 4.04Å; Y266-I299 HydrophobicContact CE1-CD1 4.29Å; Y266-I299 HydrophobicContact CE1-CG2 4.15Å; Y266-Y311 AromaticContact CE1-CE2 3.64Å; Y266-Y311 HydrophobicContact CE1-CE2 3.64Å; Y266-Y311 AromaticContact CE1-CZ 3.99Å; Y266-Y311 AromaticContact CZ-CE2 3.9Å; Y266-Y311 PolarHBondContact OH-OH 3.37Å
267	M	98.4	Very high	97.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.1	-46.7	174.6	-176.5	178.8	81.8	0	0	111.6	C177 V194 P196 F199 S263 L264 F265 A269 D270 L271	C177-M267 HydrophobicContact CB-CE 4.43Å; V194-M267 HydrophobicContact CG1-SD 4.5Å; P196-M267 HydrophobicContact CB-SD 4.45Å; P196-M267 HydrophobicContact CG-CG 3.7Å; P196-M267 HydrophobicContact CG-SD 4.1Å; P196-M267 VanDerWaalsContact N-SD 3.4Å; F199-M267 HydrophobicContact CD2-CE 4Å; F199-M267 HydrophobicContact CD2-SD 3.86Å; F199-M267 HydrophobicContact CE2-CE 4.09Å; F199-M267 HydrophobicContact CE2-SD 4.04Å; S263-M267 WeakPolarHBondContact O-CB 3.48Å; S263-M267 PolarHBondContact O-N 2.95Å; L264-M267 HydrophobicContact CD1-CE 3.65Å; L264-M267 WeakPolarHBondContact O-CB 3.32Å; L264-M267 PolarHBondContact O-N 3.4Å; F265-M267 VanDerWaalsContact C-N 3.34Å; M267-A269 VanDerWaalsContact C-N 3.34Å; M267-A269 PolarHBondContact O-N 3.44Å; M267-D270 PolarHBondContact O-N 3.38Å; M267-L271 HydrophobicContact CG-CD1 4.14Å; M267-L271 HydrophobicContact CG-CG 4.38Å; M267-L271 WeakPolarHBondContact O-CB 3.44Å; M267-L271 VanDerWaalsContact O-CG 3.28Å; M267-L271 WeakPolarHBondContact O-CG 3.41Å; M267-L271 PolarHBondContact O-N 2.92Å
268	M	98.5	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.4	-44.4	176.8	-70	172.6	70.9	0	0	111.7	V170 L171 L264 F265 L271 Y272 M303 I307 L332	V170-M268 HydrophobicContact CG1-CB 3.66Å; V170-M268 HydrophobicContact CG1-CE 4.15Å; V170-M268 HydrophobicContact CG1-CG 4.06Å; V170-M268 WeakPolarHBondContact CG1-O 3.35Å; L171-M268 HydrophobicContact CD2-CE 4.11Å; L264-M268 HydrophobicContact CD1-CG 4.11Å; L264-M268 HydrophobicContact CD1-SD 4.24Å; L264-M268 HydrophobicContact CG-SD 4.14Å; L264-M268 VanDerWaalsContact O-CG 3.29Å; L264-M268 WeakPolarHBondContact O-CG 3.47Å; L264-M268 PolarHBondContact O-N 2.94Å; F265-M268 HydrophobicContact CD1-SD 4Å; F265-M268 HydrophobicContact CE1-SD 4.5Å; F265-M268 PolarHBondContact O-N 3.17Å; M268-L271 PolarHBondContact O-N 3.13Å; M268-Y272 WeakPolarHBondContact O-CB 3.4Å; M268-Y272 PolarHBondContact O-N 3.5Å; M268-M303 HydrophobicContact CB-CE 4.09Å; M268-M303 HydrophobicContact CE-CE 4.32Å; M268-I307 HydrophobicContact CE-CD1 3.99Å; M268-L332 HydrophobicContact CE-CD2 3.88Å
269	A	98.1	Very high	97.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.3	-41.5	175.7	0	0	0	0	0	112.3	F265 Y266 M267 Y272 L273 L276 F300 M303	F265-A269 WeakPolarHBondContact O-CB 3.32Å; F265-A269 PolarHBondContact O-N 3.13Å; Y266-A269 PolarHBondContact O-N 3.3Å; M267-A269 VanDerWaalsContact C-N 3.34Å; M267-A269 PolarHBondContact O-N 3.44Å; A269-Y272 PolarHBondContact O-N 2.99Å; A269-L273 VanDerWaalsContact O-CB 3.27Å; A269-L273 WeakPolarHBondContact O-CB 3.5Å; A269-L273 PolarHBondContact O-N 3.43Å; A269-L276 HydrophobicContact CB-CD2 3.81Å; A269-F300 HydrophobicContact CB-CD1 3.94Å; A269-F300 HydrophobicContact CB-CE1 4.29Å; A269-M303 HydrophobicContact CB-SD 4.3Å
270	D	97.5	Very high	97.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-43	175.5	-176.8	44.1	0	0	0	112.2	R157 H244 Y266 M267 Y272 G274 L276	R157-D270 IonicContact CZ-OD2 2.57Å; R157-D270 VanDerWaalsContact CZ-OD2 3.32Å; R157-D270 VanDerWaalsContact NH1-CG 3.27Å; R157-D270 PolarHBondContact NH1-O 3.01Å; R157-D270 IonicContact NH1-OD1 3.66Å; R157-D270 PolarHBondContact NH1-OD1 2.72Å; R157-D270 IonicContact NH1-OD2 3.11Å; R157-D270 PolarHBondContact NH1-OD2 2.95Å; R157-D270 IonicContact NH2-OD2 3.24Å; R157-D270 PolarHBondContact NH2-OD2 3.47Å; H244-D270 IonicContact CE1-OD2 3.36Å; H244-D270 IonicContact NE2-OD2 2.71Å; H244-D270 PolarHBondContact NE2-OD2 3.09Å; Y266-D270 PolarHBondContact O-N 3.11Å; M267-D270 PolarHBondContact O-N 3.38Å; D270-Y272 VanDerWaalsContact C-N 3.31Å; D270-Y272 PolarHBondContact O-N 3.39Å; D270-G274 WeakPolarHBondContact O-CA 3.29Å; D270-G274 PolarHBondContact O-N 2.93Å; D270-L276 HydrophobicContact CB-CD1 4.33Å; D270-L276 HydrophobicContact CB-CG 4.27Å
271	L	96.2	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-34.9	177.8	-70.3	178.1	0	0	0	112.4	L153 N164 F165 V170 I173 P196 M267 M268	L153-L271 HydrophobicContact CD1-CD1 4.27Å; N164-L271 WeakPolarHBondContact CA-O 3.44Å; F165-L271 HydrophobicContact CD2-CB 4.09Å; F165-L271 HydrophobicContact CD2-CD1 4.38Å; F165-L271 HydrophobicContact CD2-CD2 4.11Å; F165-L271 HydrophobicContact CD2-CG 4.42Å; F165-L271 HydrophobicContact CE2-CD1 4.47Å; F165-L271 HydrophobicContact CE2-CD2 3.89Å; F165-L271 PolarHBondContact N-O 3.35Å; V170-L271 HydrophobicContact CG2-CB 3.99Å; I173-L271 HydrophobicContact CD1-CD1 4.36Å; I173-L271 HydrophobicContact CG2-CD1 4.18Å; P196-L271 HydrophobicContact CB-CD2 4.1Å; P196-L271 HydrophobicContact CG-CD2 3.91Å; P196-L271 HydrophobicContact CG-CG 4.33Å; M267-L271 HydrophobicContact CG-CD1 4.14Å; M267-L271 HydrophobicContact CG-CG 4.38Å; M267-L271 WeakPolarHBondContact O-CB 3.44Å; M267-L271 VanDerWaalsContact O-CG 3.28Å; M267-L271 WeakPolarHBondContact O-CG 3.41Å; M267-L271 PolarHBondContact O-N 2.92Å; M268-L271 PolarHBondContact O-N 3.13Å
272	Y	95.7	Very high	97	Very high	43 Å²	43	36.4 Å²	36.4	17%	0.169	19%	0.192	C	C	.	.	H	α-helix	trans	-84.9	-52	-178.5	178.9	-129.6	0	0	0	113.4	N164 F165 L167 M268 A269 D270 D302 M303	N164-Y272 WeakPolarHBondContact CB-O 3.36Å; N164-Y272 PolarHBondContact ND2-O 3.36Å; F165-Y272 WeakPolarHBondContact O-CD2 3.47Å; L167-Y272 HydrophobicContact CB-CD2 4.13Å; L167-Y272 HydrophobicContact CB-CE2 3.69Å; L167-Y272 HydrophobicContact CD1-CD1 4.29Å; L167-Y272 HydrophobicContact CD1-CD2 4.45Å; L167-Y272 HydrophobicContact CD1-CE1 4.25Å; L167-Y272 HydrophobicContact CD1-CE2 4.45Å; L167-Y272 HydrophobicContact CD1-CG 4.39Å; M268-Y272 WeakPolarHBondContact O-CB 3.4Å; M268-Y272 PolarHBondContact O-N 3.5Å; A269-Y272 PolarHBondContact O-N 2.99Å; D270-Y272 VanDerWaalsContact C-N 3.31Å; D270-Y272 PolarHBondContact O-N 3.39Å; Y272-D302 VanDerWaalsContact CE1-OD1 3.28Å; Y272-D302 WeakPolarHBondContact CE1-OD1 3.43Å; Y272-D302 PolarHBondContact OH-OD1 2.85Å; Y272-D302 PolarHBondContact OH-OD2 3.44Å; Y272-M303 HydrophobicContact CD1-CG 3.48Å; Y272-M303 VanDerWaalsContact CD1-CG 3.48Å; Y272-M303 HydrophobicContact CD1-SD 4.09Å; Y272-M303 HydrophobicContact CE1-CG 3.74Å
273	L	95	Very high	96.9	Very high	50 Å²	50	41.1 Å²	41.1	26%	0.262	22%	0.217	S	C	.	.	H	α-helix	trans	-88.9	-15.4	-173.6	-57.9	174.4	0	0	0	112.5	N164 A269 K275 I299	N164-L273 PolarHBondContact ND2-O 3.32Å; A269-L273 VanDerWaalsContact O-CB 3.27Å; A269-L273 WeakPolarHBondContact O-CB 3.5Å; A269-L273 PolarHBondContact O-N 3.43Å; L273-K275 PolarHBondContact O-N 3.19Å; L273-I299 WeakPolarHBondContact CD1-O 3.47Å
274	G	94.4	Very high	96.7	Very high	29 Å²	29	44.1 Å²	44.1	30%	0.299	23%	0.23	S	C	.	.	S	Bend	trans	75.1	-0.7	-178.6	0	0	0	0	0	113.8	N164 D270	N164-G274 PolarHBondContact ND2-N 3.15Å; N164-G274 VanDerWaalsContact ND2-N 3.12Å; N164-G274 VanDerWaalsContact OD1-CA 3.3Å; N164-G274 WeakPolarHBondContact OD1-CA 3.5Å; D270-G274 WeakPolarHBondContact O-CA 3.29Å; D270-G274 PolarHBondContact O-N 2.93Å
275	K	94.8	Very high	96.6	Very high	143 Å²	143	50.9 Å²	50.9	62%	0.622	26%	0.259	S	S	*	.			trans	-159.1	153.4	177.9	64.5	-174.8	179.5	-175.1	0	111.2	L273	L273-K275 PolarHBondContact O-N 3.19Å
276	L	97.6	Very high	96.5	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	28%	0.279	C	S	.	.			trans	-107	160.4	165.1	-70	168.4	0	0	0	109.4	L243 A269 D270 W278 T279 I299	L243-L276 HydrophobicContact CD1-CB 4.29Å; L243-L276 HydrophobicContact CD1-CD1 3.85Å; L243-L276 HydrophobicContact CG-CD1 3.96Å; A269-L276 HydrophobicContact CB-CD2 3.81Å; D270-L276 HydrophobicContact CB-CD1 4.33Å; D270-L276 HydrophobicContact CB-CG 4.27Å; L276-W278 HydrophobicContact CB-CD2 4.31Å; L276-W278 HydrophobicContact CB-CZ2 4.16Å; L276-W278 HydrophobicContact CD1-CZ2 3.94Å; L276-W278 HydrophobicContact CD2-CZ2 4.18Å; L276-W278 HydrophobicContact CG-CZ2 4.34Å; L276-W278 PolarHBondContact O-N 3.01Å; L276-T279 PolarHBondContact N-OG1 2.84Å; L276-T279 WeakPolarHBondContact O-CB 3.32Å; L276-T279 PolarHBondContact O-N 3.42Å; L276-T279 PolarHBondContact O-OG1 3.47Å; L276-T279 VanDerWaalsContact O-OG1 3.1Å; L276-I299 HydrophobicContact CD2-CG2 4.25Å
277	P	97.9	Very high	96.4	Very high	51 Å²	51	55.8 Å²	55.8	33%	0.331	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.7	179.5	-27.2	36.4	0	0	0	114.9	V298 I299	P277-V298 HydrophobicContact CG-CG1 4.1Å; P277-I299 HydrophobicContact CG-CG1 4.25Å
278	W	97.9	Very high	96.4	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.011	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	11.8	179.6	51.4	79.8	0	0	0	113.8	L243 Y266 L276 N280 V281 I287 L290 K291 I299	L243-W278 PolarHBondContact O-NE1 3.41Å; Y266-W278 AromaticContact CD1-CH2 3.97Å; Y266-W278 HydrophobicContact CD1-CH2 3.97Å; Y266-W278 AromaticContact CD1-CZ2 3.95Å; Y266-W278 HydrophobicContact CD1-CZ2 3.95Å; Y266-W278 HydrophobicContact CD2-CZ2 4.03Å; Y266-W278 AromaticContact CE1-CH2 3.67Å; Y266-W278 HydrophobicContact CE1-CH2 3.67Å; Y266-W278 HydrophobicContact CE1-CZ2 4.03Å; Y266-W278 HydrophobicContact CE2-CH2 4.33Å; Y266-W278 HydrophobicContact CE2-CZ2 4.09Å; Y266-W278 HydrophobicContact CG-CH2 4.44Å; Y266-W278 AromaticContact CG-CZ2 3.97Å; Y266-W278 HydrophobicContact CG-CZ2 3.97Å; Y266-W278 AromaticContact CZ-CH2 3.87Å; L276-W278 HydrophobicContact CB-CD2 4.31Å; L276-W278 HydrophobicContact CB-CZ2 4.16Å; L276-W278 HydrophobicContact CD1-CZ2 3.94Å; L276-W278 HydrophobicContact CD2-CZ2 4.18Å; L276-W278 HydrophobicContact CG-CZ2 4.34Å; L276-W278 PolarHBondContact O-N 3.01Å; W278-N280 PolarHBondContact O-N 2.88Å; W278-V281 HydrophobicContact CB-CB 4.35Å; W278-V281 HydrophobicContact CB-CG2 4.31Å; W278-V281 PolarHBondContact O-N 3.11Å; W278-V281 VanDerWaalsContact O-N 3.09Å; W278-I287 HydrophobicContact CB-CG1 4.44Å; W278-I287 HydrophobicContact CB-CG2 4.22Å; W278-I287 HydrophobicContact CG-CG2 3.99Å; W278-L290 HydrophobicContact CB-CD1 4Å; W278-L290 HydrophobicContact CE3-CB 4.08Å; W278-K291 HydrophobicContact CD2-CG 3.8Å; W278-K291 HydrophobicContact CE3-CG 3.82Å; W278-K291 HydrophobicContact CH2-CB 4.37Å; W278-K291 HydrophobicContact CH2-CG 3.59Å; W278-K291 HydrophobicContact CZ2-CD 4.2Å; W278-K291 HydrophobicContact CZ2-CG 3.54Å; W278-K291 HydrophobicContact CZ3-CB 4.34Å; W278-K291 HydrophobicContact CZ3-CG 3.72Å; W278-K291 VanDerWaalsContact NE1-CE 3.26Å; W278-I299 HydrophobicContact CH2-CD1 4.22Å; W278-I299 HydrophobicContact CH2-CG1 4.3Å; W278-I299 HydrophobicContact CH2-CG2 4.28Å; W278-I299 HydrophobicContact CZ3-CD1 4.3Å; W278-I299 HydrophobicContact CZ3-CG1 4.22Å
279	T	96.5	Very high	96.3	Very high	53 Å²	53	58.9 Å²	58.9	33%	0.325	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-38.4	-177.7	-69.1	0	0	0	0	113.3	L276	L276-T279 PolarHBondContact N-OG1 2.84Å; L276-T279 WeakPolarHBondContact O-CB 3.32Å; L276-T279 PolarHBondContact O-N 3.42Å; L276-T279 PolarHBondContact O-OG1 3.47Å; L276-T279 VanDerWaalsContact O-OG1 3.1Å
280	N	96	Very high	96.3	Very high	157 Å²	157	61 Å²	61	84%	0.84	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	18.4	-177.8	-60.8	-27	0	0	0	113	W278	W278-N280 PolarHBondContact O-N 2.88Å
281	V	96.4	Very high	96.3	Very high	43 Å²	43	60.8 Å²	60.8	26%	0.261	31%	0.306	S	S	.	.			trans	-99.7	120.8	178.6	-179.4	0	0	0	0	108.4	W278 K286 I287 L290	W278-V281 HydrophobicContact CB-CB 4.35Å; W278-V281 HydrophobicContact CB-CG2 4.31Å; W278-V281 PolarHBondContact O-N 3.11Å; W278-V281 VanDerWaalsContact O-N 3.09Å; V281-K286 HydrophobicContact CG1-CB 3.96Å; V281-K286 HydrophobicContact CG1-CG 3.93Å; V281-I287 HydrophobicContact CB-CG1 4.08Å; V281-I287 HydrophobicContact CG1-CG1 3.91Å; V281-I287 WeakPolarHBondContact O-CD1 3.38Å; V281-L290 HydrophobicContact CG1-CD1 4.48Å; V281-L290 HydrophobicContact CG2-CD1 3.88Å
282	E	93.4	Very high	96.3	Very high	177 Å²	177	66.9 Å²	66.9	83%	0.827	33%	0.329	S	S	*	.			trans	-87.6	-32.1	-178.8	-62.8	-175.1	170.9	0	0	112.9	F284	E282-F284 PolarHBondContact O-N 3.3Å
283	D	96.1	Very high	96.3	Very high	99 Å²	99	69.8 Å²	69.8	53%	0.529	35%	0.351	S	S	.	.			trans	-68.2	118.7	-175.3	-177.8	-88.9	0	0	0	112.2	K285 K286 I287	D283-K285 PolarHBondContact O-N 2.96Å; D283-K285 PolarHBondContact OD1-N 3.21Å; D283-K286 HydrophobicContact CB-CB 3.83Å; D283-K286 PolarHBondContact O-N 3.01Å; D283-K286 VanDerWaalsContact OD1-CB 3.31Å; D283-K286 WeakPolarHBondContact OD1-CB 3.37Å; D283-K286 PolarHBondContact OD1-N 3.42Å; D283-I287 WeakPolarHBondContact O-CG1 3.42Å; D283-I287 PolarHBondContact O-N 3.39Å
284	F	94.8	Very high	96.4	Very high	69 Å²	69	68.4 Å²	68.4	30%	0.303	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-41.2	-172.5	-179.1	-94.3	0	0	0	113.2	F238 R242 H250 E282 G288	F238-F284 HydrophobicContact CB-CE2 4.46Å; F238-F284 HydrophobicContact CB-CZ 4.06Å; F238-F284 HydrophobicContact CD1-CE2 4.12Å; F238-F284 AromaticContact CD2-CE2 3.78Å; F238-F284 HydrophobicContact CD2-CE2 3.78Å; F238-F284 AromaticContact CD2-CZ 3.65Å; F238-F284 HydrophobicContact CD2-CZ 3.65Å; F238-F284 HydrophobicContact CE1-CE2 4.34Å; F238-F284 HydrophobicContact CE2-CE2 4.02Å; F238-F284 HydrophobicContact CE2-CZ 4.26Å; F238-F284 AromaticContact CG-CE2 3.84Å; F238-F284 HydrophobicContact CG-CE2 3.84Å; F238-F284 AromaticContact CG-CZ 3.81Å; F238-F284 HydrophobicContact CG-CZ 3.81Å; F238-F284 HydrophobicContact CZ-CE2 4.31Å; R242-F284 HydrophobicContact CG-CD2 4.36Å; R242-F284 HydrophobicContact CG-CE2 4.43Å; H250-F284 HydrophobicContact CB-CE1 4.4Å; H250-F284 HydrophobicContact CB-CZ 4.4Å; H250-F284 AromaticContact CE1-CE2 3.98Å; H250-F284 AromaticContact ND1-CD2 3.96Å; H250-F284 AromaticContact ND1-CE2 3.71Å; H250-F284 AromaticContact ND1-CZ 3.75Å; H250-F284 PolarHBondContact ND1-O 2.83Å; H250-F284 VanDerWaalsContact ND1-O 3.07Å; E282-F284 PolarHBondContact O-N 3.3Å; F284-G288 PolarHBondContact O-N 3.4Å
285	K	95.5	Very high	96.5	Very high	142 Å²	142	74.4 Å²	74.4	62%	0.617	36%	0.363	S	S	*	.	H	α-helix	trans	-70.5	-40.4	-180	-175.4	179.1	175.1	-177.2	0	110.1	D283 I287 G288 E289	D283-K285 PolarHBondContact O-N 2.96Å; D283-K285 PolarHBondContact OD1-N 3.21Å; K285-I287 VanDerWaalsContact C-N 3.35Å; K285-I287 PolarHBondContact O-N 3.39Å; K285-G288 PolarHBondContact O-N 2.88Å; K285-G288 VanDerWaalsContact O-N 3.13Å; K285-E289 WeakPolarHBondContact CE-OE1 3.47Å; K285-E289 PolarHBondContact O-N 3.43Å
286	K	97.1	Very high	96.7	Very high	96 Å²	96	67.9 Å²	67.9	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-39.1	179.3	-168.3	60.4	178.6	178.1	0	112.6	V281 D283 G288 E289 L290	V281-K286 HydrophobicContact CG1-CB 3.96Å; V281-K286 HydrophobicContact CG1-CG 3.93Å; D283-K286 HydrophobicContact CB-CB 3.83Å; D283-K286 PolarHBondContact O-N 3.01Å; D283-K286 VanDerWaalsContact OD1-CB 3.31Å; D283-K286 WeakPolarHBondContact OD1-CB 3.37Å; D283-K286 PolarHBondContact OD1-N 3.42Å; K286-G288 VanDerWaalsContact C-N 3.33Å; K286-G288 PolarHBondContact O-N 3.22Å; K286-E289 IonicContact NZ-OE2 3.43Å; K286-E289 PolarHBondContact NZ-OE2 3.24Å; K286-E289 PolarHBondContact O-N 3.34Å; K286-L290 HydrophobicContact CG-CD1 4.29Å; K286-L290 WeakPolarHBondContact O-CB 3.27Å; K286-L290 VanDerWaalsContact O-CG 3.32Å; K286-L290 WeakPolarHBondContact O-CG 3.36Å; K286-L290 PolarHBondContact O-N 3.18Å
287	I	97.6	Very high	96.7	Very high	7 Å²	7	71.3 Å²	71.3	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-58.3	-47.5	172.9	-62.5	163.7	0	0	0	110.1	H250 W278 V281 D283 K285 E289 L290 K291	H250-I287 WeakPolarHBondContact CE1-CG2 3.39Å; W278-I287 HydrophobicContact CB-CG1 4.44Å; W278-I287 HydrophobicContact CB-CG2 4.22Å; W278-I287 HydrophobicContact CG-CG2 3.99Å; V281-I287 HydrophobicContact CB-CG1 4.08Å; V281-I287 HydrophobicContact CG1-CG1 3.91Å; V281-I287 WeakPolarHBondContact O-CD1 3.38Å; D283-I287 WeakPolarHBondContact O-CG1 3.42Å; D283-I287 PolarHBondContact O-N 3.39Å; K285-I287 VanDerWaalsContact C-N 3.35Å; K285-I287 PolarHBondContact O-N 3.39Å; I287-E289 PolarHBondContact O-N 2.71Å; I287-L290 PolarHBondContact O-N 2.91Å; I287-K291 HydrophobicContact CG2-CD 4.08Å; I287-K291 WeakPolarHBondContact O-CG 3.15Å; I287-K291 PolarHBondContact O-N 3.12Å
288	G	96.9	Very high	96.7	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-61.4	-41	178	0	0	0	0	0	113.6	F284 K285 K286 R292	F284-G288 PolarHBondContact O-N 3.4Å; K285-G288 PolarHBondContact O-N 2.88Å; K285-G288 VanDerWaalsContact O-N 3.13Å; K286-G288 VanDerWaalsContact C-N 3.33Å; K286-G288 PolarHBondContact O-N 3.22Å; G288-R292 WeakPolarHBondContact O-CB 3.28Å; G288-R292 PolarHBondContact O-N 2.8Å; G288-R292 VanDerWaalsContact O-N 3.13Å
289	E	97.4	Very high	96.7	Very high	64 Å²	64	73.1 Å²	73.1	30%	0.299	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-45	173.9	-73.1	175.7	-174.3	0	0	112.4	K285 K286 I287 R292 T293	K285-E289 WeakPolarHBondContact CE-OE1 3.47Å; K285-E289 PolarHBondContact O-N 3.43Å; K286-E289 IonicContact NZ-OE2 3.43Å; K286-E289 PolarHBondContact NZ-OE2 3.24Å; K286-E289 PolarHBondContact O-N 3.34Å; I287-E289 PolarHBondContact O-N 2.71Å; E289-R292 PolarHBondContact O-N 3.42Å; E289-T293 WeakPolarHBondContact O-CB 3.09Å; E289-T293 WeakPolarHBondContact O-CG2 2.96Å; E289-T293 PolarHBondContact O-N 2.89Å; E289-T293 PolarHBondContact O-OG1 3.35Å
290	L	97.9	Very high	96.8	Very high	44 Å²	44	70.6 Å²	70.6	23%	0.23	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-45.7	177.9	-74	170.6	0	0	0	111.1	W278 V281 K286 I287 R292 T293 C294	W278-L290 HydrophobicContact CB-CD1 4Å; W278-L290 HydrophobicContact CE3-CB 4.08Å; V281-L290 HydrophobicContact CG1-CD1 4.48Å; V281-L290 HydrophobicContact CG2-CD1 3.88Å; K286-L290 HydrophobicContact CG-CD1 4.29Å; K286-L290 WeakPolarHBondContact O-CB 3.27Å; K286-L290 VanDerWaalsContact O-CG 3.32Å; K286-L290 WeakPolarHBondContact O-CG 3.36Å; K286-L290 PolarHBondContact O-N 3.18Å; I287-L290 PolarHBondContact O-N 2.91Å; L290-R292 VanDerWaalsContact C-N 3.26Å; L290-R292 PolarHBondContact O-N 2.99Å; L290-T293 PolarHBondContact O-N 3.14Å; L290-C294 WeakPolarHBondContact O-CB 3.36Å; L290-C294 PolarHBondContact O-N 2.93Å
291	K	97.6	Very high	96.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-40	176	-73.3	174.2	176.4	179.4	0	112.2	R242 L243 A245 F247 H250 Y266 W278 I287 Y311	R242-K291 PolarHBondContact O-NZ 3.3Å; L243-K291 PolarHBondContact O-NZ 3.1Å; A245-K291 WeakPolarHBondContact O-CD 3.3Å; A245-K291 WeakPolarHBondContact O-CE 3.38Å; A245-K291 PolarHBondContact O-NZ 3.17Å; F247-K291 HydrophobicContact CB-CB 3.78Å; H250-K291 PolarHBondContact NE2-NZ 2.9Å; Y266-K291 HydrophobicContact CE2-CD 4.09Å; Y266-K291 HydrophobicContact CE2-CG 4.18Å; W278-K291 HydrophobicContact CD2-CG 3.8Å; W278-K291 HydrophobicContact CE3-CG 3.82Å; W278-K291 HydrophobicContact CH2-CB 4.37Å; W278-K291 HydrophobicContact CH2-CG 3.59Å; W278-K291 HydrophobicContact CZ2-CD 4.2Å; W278-K291 HydrophobicContact CZ2-CG 3.54Å; W278-K291 HydrophobicContact CZ3-CB 4.34Å; W278-K291 HydrophobicContact CZ3-CG 3.72Å; W278-K291 VanDerWaalsContact NE1-CE 3.26Å; I287-K291 HydrophobicContact CG2-CD 4.08Å; I287-K291 WeakPolarHBondContact O-CG 3.15Å; I287-K291 PolarHBondContact O-N 3.12Å; K291-Y311 PolarHBondContact O-OH 2.91Å
292	R	95.4	Very high	96.8	Very high	127 Å²	127	67.4 Å²	67.4	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-72.2	-37.8	180	-168.8	171.8	-175.9	136.2	2.2	113.1	F247 Y251 G288 E289 L290 K315	F247-R292 HydrophobicContact CB-CB 4.3Å; F247-R292 HydrophobicContact CD2-CG 4.49Å; F247-R292 HydrophobicContact CG-CB 4.49Å; Y251-R292 HydrophobicContact CE2-CB 4.36Å; G288-R292 WeakPolarHBondContact O-CB 3.28Å; G288-R292 PolarHBondContact O-N 2.8Å; G288-R292 VanDerWaalsContact O-N 3.13Å; E289-R292 PolarHBondContact O-N 3.42Å; L290-R292 VanDerWaalsContact C-N 3.26Å; L290-R292 PolarHBondContact O-N 2.99Å; R292-K315 PolarHBondContact O-NZ 3.49Å
293	T	96.4	Very high	97	Very high	105 Å²	105	59.1 Å²	59.1	64%	0.644	30%	0.299	S	S	*	.	H	α-helix	trans	-101.7	-23.2	-169.8	57.4	0	0	0	0	114.4	E289 L290	E289-T293 WeakPolarHBondContact O-CB 3.09Å; E289-T293 WeakPolarHBondContact O-CG2 2.96Å; E289-T293 PolarHBondContact O-N 2.89Å; E289-T293 PolarHBondContact O-OG1 3.35Å; L290-T293 PolarHBondContact O-N 3.14Å
294	C	96.9	Very high	97.1	Very high	20 Å²	20	55.7 Å²	55.7	14%	0.135	28%	0.282	C	S	.	.	S	Bend	trans	-63.8	137.1	-176.8	-166.3	0	0	0	0	111.6	L290 V298 I299	L290-C294 WeakPolarHBondContact O-CB 3.36Å; L290-C294 PolarHBondContact O-N 2.93Å; C294-V298 VanDerWaalsContact SG-CG1 3.55Å; C294-I299 HydrophobicContact CB-CD1 4.06Å; C294-I299 HydrophobicContact CB-CG1 4.02Å
295	K	97.3	Very high	97.2	Very high	156 Å²	156	56.5 Å²	56.5	68%	0.678	29%	0.289	S	S	*	.			trans	-72.1	142.7	179.2	-66.9	-177.7	179.7	178.3	0	109.6	D297 V298 I299	K295-D297 PolarHBondContact O-N 3.35Å; K295-D297 VanDerWaalsContact O-N 3.15Å; K295-V298 HydrophobicContact CB-CG2 4.29Å; K295-V298 WeakPolarHBondContact O-CB 3.44Å; K295-V298 PolarHBondContact O-N 3.36Å; K295-I299 PolarHBondContact O-N 3.28Å
296	A	97.9	Very high	97.3	Very high	5 Å²	5	51 Å²	51	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-52.3	-39	178.2	0	0	0	0	0	112.5	V298 I299 F300 K308 Y311 R312	A296-V298 PolarHBondContact O-N 3.33Å; A296-I299 PolarHBondContact O-N 2.83Å; A296-F300 HydrophobicContact CB-CD2 3.96Å; A296-F300 HydrophobicContact CB-CE2 4.16Å; A296-F300 WeakPolarHBondContact O-CB 3.42Å; A296-F300 WeakPolarHBondContact O-CD2 3.3Å; A296-F300 PolarHBondContact O-N 3.45Å; A296-K308 HydrophobicContact CB-CB 3.99Å; A296-K308 HydrophobicContact CB-CG 4.32Å; A296-Y311 HydrophobicContact CB-CD1 4.03Å; A296-Y311 HydrophobicContact CB-CE1 4.49Å; A296-R312 HydrophobicContact CB-CG 4.43Å
297	D	97.6	Very high	97.3	Very high	79 Å²	79	46.4 Å²	46.4	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-26.6	178.6	-60.2	-70.8	0	0	0	113.9	K295 G301 K308 R312	K295-D297 PolarHBondContact O-N 3.35Å; K295-D297 VanDerWaalsContact O-N 3.15Å; D297-G301 WeakPolarHBondContact O-CA 3.21Å; D297-G301 PolarHBondContact O-N 3.36Å; D297-K308 WeakPolarHBondContact OD1-CD 3.3Å; D297-K308 WeakPolarHBondContact OD1-CE 3.22Å; D297-K308 IonicContact OD1-NZ 4Å; D297-K308 PolarHBondContact OD1-NZ 2.97Å; D297-R312 IonicContact OD2-NH2 3.72Å; D297-R312 PolarHBondContact OD2-NH2 3.17Å
298	V	97.9	Very high	97.3	Very high	92 Å²	92	46.8 Å²	46.8	56%	0.558	25%	0.25	S	C	*	.	H	α-helix	trans	-81.8	-34.3	175.7	178.8	0	0	0	0	110.9	P277 C294 K295 A296	P277-V298 HydrophobicContact CG-CG1 4.1Å; C294-V298 VanDerWaalsContact SG-CG1 3.55Å; K295-V298 HydrophobicContact CB-CG2 4.29Å; K295-V298 WeakPolarHBondContact O-CB 3.44Å; K295-V298 PolarHBondContact O-N 3.36Å; A296-V298 PolarHBondContact O-N 3.33Å
299	I	98.3	Very high	97.4	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-74.6	-47.5	179.7	-58.1	170.7	0	0	0	110.8	Y266 L273 L276 P277 W278 C294 K295 A296 Y311	Y266-I299 HydrophobicContact CD1-CG2 4.04Å; Y266-I299 HydrophobicContact CE1-CD1 4.29Å; Y266-I299 HydrophobicContact CE1-CG2 4.15Å; L273-I299 WeakPolarHBondContact CD1-O 3.47Å; L276-I299 HydrophobicContact CD2-CG2 4.25Å; P277-I299 HydrophobicContact CG-CG1 4.25Å; W278-I299 HydrophobicContact CH2-CD1 4.22Å; W278-I299 HydrophobicContact CH2-CG1 4.3Å; W278-I299 HydrophobicContact CH2-CG2 4.28Å; W278-I299 HydrophobicContact CZ3-CD1 4.3Å; W278-I299 HydrophobicContact CZ3-CG1 4.22Å; C294-I299 HydrophobicContact CB-CD1 4.06Å; C294-I299 HydrophobicContact CB-CG1 4.02Å; K295-I299 PolarHBondContact O-N 3.28Å; A296-I299 PolarHBondContact O-N 2.83Å; I299-Y311 HydrophobicContact CD1-CE1 3.84Å; I299-Y311 WeakPolarHBondContact CD1-OH 3.17Å
300	F	98.3	Very high	97.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-102.5	-0.8	-169.7	-54.5	-64.5	0	0	0	113.5	F265 A269 A296 D302 M303 I307 K308 Y311	F265-F300 HydrophobicContact CB-CE1 3.8Å; F265-F300 HydrophobicContact CB-CZ 3.99Å; A269-F300 HydrophobicContact CB-CD1 3.94Å; A269-F300 HydrophobicContact CB-CE1 4.29Å; A296-F300 HydrophobicContact CB-CD2 3.96Å; A296-F300 HydrophobicContact CB-CE2 4.16Å; A296-F300 WeakPolarHBondContact O-CB 3.42Å; A296-F300 WeakPolarHBondContact O-CD2 3.3Å; A296-F300 PolarHBondContact O-N 3.45Å; F300-D302 PolarHBondContact O-N 3.05Å; F300-M303 HydrophobicContact CB-CB 4.14Å; F300-M303 HydrophobicContact CB-CG 4.47Å; F300-M303 HydrophobicContact CB-SD 4.12Å; F300-M303 HydrophobicContact CD1-SD 4.15Å; F300-M303 WeakPolarHBondContact O-CB 3.45Å; F300-M303 WeakPolarHBondContact O-CG 3.41Å; F300-M303 PolarHBondContact O-N 3Å; F300-I307 HydrophobicContact CD1-CG2 4.08Å; F300-I307 HydrophobicContact CE1-CG2 4.26Å; F300-I307 HydrophobicContact CG-CG2 4.28Å; F300-K308 HydrophobicContact CB-CG 4.19Å; F300-K308 HydrophobicContact CD2-CG 4.1Å; F300-Y311 AromaticContact CE2-CD1 3.51Å; F300-Y311 HydrophobicContact CE2-CD1 3.51Å; F300-Y311 HydrophobicContact CE2-CD2 4.04Å; F300-Y311 HydrophobicContact CE2-CE1 4.08Å; F300-Y311 AromaticContact CE2-CG 3.45Å; F300-Y311 HydrophobicContact CE2-CG 3.45Å; F300-Y311 VanDerWaalsContact CE2-CG 3.45Å; F300-Y311 HydrophobicContact CZ-CD1 4.1Å; F300-Y311 AromaticContact CZ-CD2 3.77Å; F300-Y311 HydrophobicContact CZ-CD2 3.77Å; F300-Y311 HydrophobicContact CZ-CE2 4.28Å; F300-Y311 AromaticContact CZ-CG 3.65Å; F300-Y311 HydrophobicContact CZ-CG 3.65Å
301	G	97.1	Very high	97.4	Very high	29 Å²	29	46.5 Å²	46.5	30%	0.299	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-123.2	177.6	0	0	0	0	0	113.3	D297 K308	D297-G301 WeakPolarHBondContact O-CA 3.21Å; D297-G301 PolarHBondContact O-N 3.36Å; G301-K308 VanDerWaalsContact O-CE 3.26Å; G301-K308 WeakPolarHBondContact O-CE 3.33Å; G301-K308 PolarHBondContact O-NZ 2.88Å
302	D	96.1	Very high	97.3	Very high	104 Å²	104	50.9 Å²	50.9	56%	0.556	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	8.9	179	62.6	-26.2	0	0	0	114.3	Y272 F300	Y272-D302 VanDerWaalsContact CE1-OD1 3.28Å; Y272-D302 WeakPolarHBondContact CE1-OD1 3.43Å; Y272-D302 PolarHBondContact OH-OD1 2.85Å; Y272-D302 PolarHBondContact OH-OD2 3.44Å; F300-D302 PolarHBondContact O-N 3.05Å
303	M	97.6	Very high	97.4	Very high	3 Å²	3	47 Å²	47	2%	0.015	26%	0.262	C	S	.	.	S	Bend	trans	-59.1	156.1	170.9	-64.8	-179.8	87.6	0	0	111.8	L167 V170 M268 A269 Y272 F300 I307 K308	L167-M303 HydrophobicContact CD1-CE 4.08Å; L167-M303 HydrophobicContact CD1-CG 4.01Å; V170-M303 HydrophobicContact CG1-CE 4.15Å; M268-M303 HydrophobicContact CB-CE 4.09Å; M268-M303 HydrophobicContact CE-CE 4.32Å; A269-M303 HydrophobicContact CB-SD 4.3Å; Y272-M303 HydrophobicContact CD1-CG 3.48Å; Y272-M303 VanDerWaalsContact CD1-CG 3.48Å; Y272-M303 HydrophobicContact CD1-SD 4.09Å; Y272-M303 HydrophobicContact CE1-CG 3.74Å; F300-M303 HydrophobicContact CB-CB 4.14Å; F300-M303 HydrophobicContact CB-CG 4.47Å; F300-M303 HydrophobicContact CB-SD 4.12Å; F300-M303 HydrophobicContact CD1-SD 4.15Å; F300-M303 WeakPolarHBondContact O-CB 3.45Å; F300-M303 WeakPolarHBondContact O-CG 3.41Å; F300-M303 PolarHBondContact O-N 3Å; M303-I307 HydrophobicContact CB-CD1 4.42Å; M303-I307 HydrophobicContact CE-CD1 3.59Å; M303-K308 VanDerWaalsContact O-CE 3.32Å; M303-K308 WeakPolarHBondContact O-CE 3.45Å
304	P	97.1	Very high	97.4	Very high	27 Å²	27	42.3 Å²	42.3	18%	0.175	23%	0.233	C	C	.	.			trans	-53.9	143.4	-175.4	-29.4	37.2	0	0	0	114.5	L167 C306 I307 A335	L167-P304 HydrophobicContact CD2-CG 4.43Å; P304-C306 PolarHBondContact O-N 3.45Å; P304-C306 VanDerWaalsContact O-N 3.14Å; P304-I307 PolarHBondContact O-N 3.34Å; P304-I307 VanDerWaalsContact O-N 3.09Å; P304-A335 HydrophobicContact CB-CB 4.28Å; P304-A335 HydrophobicContact CG-CB 4.12Å
305	D	97	Very high	97.3	Very high	85 Å²	85	44.7 Å²	44.7	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-59.4	-27.1	-179.9	-82.3	-22.4	0	0	0	113.1	I307 K308 N309	D305-I307 VanDerWaalsContact C-N 3.34Å; D305-I307 PolarHBondContact O-N 3.19Å; D305-K308 PolarHBondContact O-N 2.99Å; D305-K308 IonicContact OD1-NZ 3.32Å; D305-N309 WeakPolarHBondContact O-CB 3.33Å; D305-N309 PolarHBondContact O-N 2.87Å; D305-N309 PolarHBondContact O-ND2 3.42Å
306	C	97	Very high	97.2	Very high	27 Å²	27	47 Å²	47	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-43.9	175.3	60.3	0	0	0	0	111.7	P304 K308 N309 M310 Q331	P304-C306 PolarHBondContact O-N 3.45Å; P304-C306 VanDerWaalsContact O-N 3.14Å; C306-K308 VanDerWaalsContact C-N 3.34Å; C306-K308 PolarHBondContact O-N 3.46Å; C306-N309 PolarHBondContact O-N 3.21Å; C306-M310 WeakPolarHBondContact O-CB 3.44Å; C306-M310 WeakPolarHBondContact O-CG 3.16Å; C306-M310 PolarHBondContact O-N 2.93Å; C306-Q331 HydrophobicContact CB-CB 4.37Å
307	I	98	Very high	97	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-45.5	176.4	-63.8	178.6	0	0	0	110.4	L171 F265 M268 F300 M303 P304 D305 N309 M310 Y311 L332	L171-I307 HydrophobicContact CD2-CD1 3.85Å; F265-I307 HydrophobicContact CD1-CG2 4.5Å; F265-I307 HydrophobicContact CD2-CG2 4.49Å; F265-I307 HydrophobicContact CG-CG2 4.37Å; M268-I307 HydrophobicContact CE-CD1 3.99Å; F300-I307 HydrophobicContact CD1-CG2 4.08Å; F300-I307 HydrophobicContact CE1-CG2 4.26Å; F300-I307 HydrophobicContact CG-CG2 4.28Å; M303-I307 HydrophobicContact CB-CD1 4.42Å; M303-I307 HydrophobicContact CE-CD1 3.59Å; P304-I307 PolarHBondContact O-N 3.34Å; P304-I307 VanDerWaalsContact O-N 3.09Å; D305-I307 VanDerWaalsContact C-N 3.34Å; D305-I307 PolarHBondContact O-N 3.19Å; I307-N309 VanDerWaalsContact C-N 3.31Å; I307-N309 PolarHBondContact O-N 3.4Å; I307-M310 HydrophobicContact CG1-CE 4.37Å; I307-M310 PolarHBondContact O-N 3.49Å; I307-Y311 WeakPolarHBondContact O-CB 3.49Å; I307-Y311 PolarHBondContact O-N 2.81Å; I307-L332 HydrophobicContact CD1-CD2 4.11Å; I307-L332 HydrophobicContact CG1-CD2 3.92Å
308	K	98.1	Very high	96.8	Very high	14 Å²	14	49.8 Å²	49.8	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-38.8	179.1	-57.4	178.1	-178.4	177.9	0	111.6	A296 D297 F300 G301 M303 D305 C306 R312	A296-K308 HydrophobicContact CB-CB 3.99Å; A296-K308 HydrophobicContact CB-CG 4.32Å; D297-K308 WeakPolarHBondContact OD1-CD 3.3Å; D297-K308 WeakPolarHBondContact OD1-CE 3.22Å; D297-K308 IonicContact OD1-NZ 4Å; D297-K308 PolarHBondContact OD1-NZ 2.97Å; F300-K308 HydrophobicContact CB-CG 4.19Å; F300-K308 HydrophobicContact CD2-CG 4.1Å; G301-K308 VanDerWaalsContact O-CE 3.26Å; G301-K308 WeakPolarHBondContact O-CE 3.33Å; G301-K308 PolarHBondContact O-NZ 2.88Å; M303-K308 VanDerWaalsContact O-CE 3.32Å; M303-K308 WeakPolarHBondContact O-CE 3.45Å; D305-K308 PolarHBondContact O-N 2.99Å; D305-K308 IonicContact OD1-NZ 3.32Å; C306-K308 VanDerWaalsContact C-N 3.34Å; C306-K308 PolarHBondContact O-N 3.46Å; K308-R312 VanDerWaalsContact O-CG 3.24Å; K308-R312 WeakPolarHBondContact O-CG 3.34Å; K308-R312 PolarHBondContact O-N 3.24Å; K308-R312 VanDerWaalsContact O-N 3.12Å; K308-R312 PolarHBondContact O-NH1 3.12Å
309	N	97.6	Very high	96.5	Very high	89 Å²	89	47.9 Å²	47.9	48%	0.476	24%	0.243	S	C	.	.	H	α-helix	trans	-70.3	-47.5	178.6	-67.6	-21.1	0	0	0	111.6	D305 C306 I307 Y311 R312 A313	D305-N309 WeakPolarHBondContact O-CB 3.33Å; D305-N309 PolarHBondContact O-N 2.87Å; D305-N309 PolarHBondContact O-ND2 3.42Å; C306-N309 PolarHBondContact O-N 3.21Å; I307-N309 VanDerWaalsContact C-N 3.31Å; I307-N309 PolarHBondContact O-N 3.4Å; N309-Y311 VanDerWaalsContact C-N 3.35Å; N309-Y311 PolarHBondContact O-N 3.36Å; N309-R312 PolarHBondContact O-N 3.23Å; N309-R312 PolarHBondContact OD1-NH1 2.85Å; N309-A313 PolarHBondContact O-N 3.29Å
310	M	97.6	Very high	95.9	Very high	12 Å²	12	49 Å²	49	6%	0.059	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-46.4	174.5	-71.3	-171.9	-71.2	0	0	111.1	F265 C306 I307 R312 A313 L314 I328 Q331 L332	F265-M310 HydrophobicContact CE2-CB 3.73Å; F265-M310 HydrophobicContact CZ-CB 3.86Å; F265-M310 HydrophobicContact CZ-CE 3.97Å; F265-M310 HydrophobicContact CZ-SD 4.28Å; C306-M310 WeakPolarHBondContact O-CB 3.44Å; C306-M310 WeakPolarHBondContact O-CG 3.16Å; C306-M310 PolarHBondContact O-N 2.93Å; I307-M310 HydrophobicContact CG1-CE 4.37Å; I307-M310 PolarHBondContact O-N 3.49Å; M310-R312 PolarHBondContact O-N 3.14Å; M310-A313 WeakPolarHBondContact O-CB 3.24Å; M310-A313 PolarHBondContact O-N 3.38Å; M310-A313 VanDerWaalsContact O-N 3.11Å; M310-L314 VanDerWaalsContact O-CG 3.32Å; M310-L314 WeakPolarHBondContact O-CG 3.3Å; M310-L314 PolarHBondContact O-N 3.25Å; M310-I328 HydrophobicContact CE-CG2 4.48Å; M310-I328 HydrophobicContact SD-CB 4.06Å; M310-I328 HydrophobicContact SD-CG1 3.99Å; M310-I328 HydrophobicContact SD-CG2 3.91Å; M310-Q331 HydrophobicContact CE-CB 3.87Å; M310-Q331 HydrophobicContact SD-CB 3.86Å; M310-Q331 HydrophobicContact SD-CG 4.37Å; M310-L332 HydrophobicContact CE-CD2 4.14Å; M310-L332 HydrophobicContact CE-CG 4.34Å
311	Y	97.8	Very high	95.5	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-46.4	175.4	174	-108.1	0	0	0	112.4	I262 F265 Y266 K291 A296 I299 F300 I307 N309 A313 L314 K315	I262-Y311 HydrophobicContact CG2-CE2 4.17Å; F265-Y311 HydrophobicContact CD2-CD2 4.43Å; Y266-Y311 AromaticContact CE1-CE2 3.64Å; Y266-Y311 HydrophobicContact CE1-CE2 3.64Å; Y266-Y311 AromaticContact CE1-CZ 3.99Å; Y266-Y311 AromaticContact CZ-CE2 3.9Å; Y266-Y311 PolarHBondContact OH-OH 3.37Å; K291-Y311 PolarHBondContact O-OH 2.91Å; A296-Y311 HydrophobicContact CB-CD1 4.03Å; A296-Y311 HydrophobicContact CB-CE1 4.49Å; I299-Y311 HydrophobicContact CD1-CE1 3.84Å; I299-Y311 WeakPolarHBondContact CD1-OH 3.17Å; F300-Y311 AromaticContact CE2-CD1 3.51Å; F300-Y311 HydrophobicContact CE2-CD1 3.51Å; F300-Y311 HydrophobicContact CE2-CD2 4.04Å; F300-Y311 HydrophobicContact CE2-CE1 4.08Å; F300-Y311 AromaticContact CE2-CG 3.45Å; F300-Y311 HydrophobicContact CE2-CG 3.45Å; F300-Y311 VanDerWaalsContact CE2-CG 3.45Å; F300-Y311 HydrophobicContact CZ-CD1 4.1Å; F300-Y311 AromaticContact CZ-CD2 3.77Å; F300-Y311 HydrophobicContact CZ-CD2 3.77Å; F300-Y311 HydrophobicContact CZ-CE2 4.28Å; F300-Y311 AromaticContact CZ-CG 3.65Å; F300-Y311 HydrophobicContact CZ-CG 3.65Å; I307-Y311 WeakPolarHBondContact O-CB 3.49Å; I307-Y311 PolarHBondContact O-N 2.81Å; N309-Y311 VanDerWaalsContact C-N 3.35Å; N309-Y311 PolarHBondContact O-N 3.36Å; Y311-A313 VanDerWaalsContact C-N 3.26Å; Y311-A313 PolarHBondContact O-N 2.86Å; Y311-L314 PolarHBondContact O-N 3.07Å; Y311-K315 HydrophobicContact CD1-CD 4.25Å; Y311-K315 HydrophobicContact CE1-CD 3.69Å; Y311-K315 HydrophobicContact CE1-CG 4.36Å; Y311-K315 HydrophobicContact CE2-CD 4.43Å; Y311-K315 HydrophobicContact CE2-CG 4.33Å; Y311-K315 WeakPolarHBondContact O-CG 3.37Å; Y311-K315 PolarHBondContact O-N 3.34Å; Y311-K315 VanDerWaalsContact O-N 3.13Å
312	R	97.3	Very high	95	Very high	92 Å²	92	57.7 Å²	57.7	35%	0.347	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-34.1	178.1	-71.9	174.6	-163.6	112.1	-2.8	112.2	A296 D297 K308 N309 M310	A296-R312 HydrophobicContact CB-CG 4.43Å; D297-R312 IonicContact OD2-NH2 3.72Å; D297-R312 PolarHBondContact OD2-NH2 3.17Å; K308-R312 VanDerWaalsContact O-CG 3.24Å; K308-R312 WeakPolarHBondContact O-CG 3.34Å; K308-R312 PolarHBondContact O-N 3.24Å; K308-R312 VanDerWaalsContact O-N 3.12Å; K308-R312 PolarHBondContact O-NH1 3.12Å; N309-R312 PolarHBondContact O-N 3.23Å; N309-R312 PolarHBondContact OD1-NH1 2.85Å; M310-R312 PolarHBondContact O-N 3.14Å
313	A	96.2	Very high	94.8	Very high	47 Å²	47	54.2 Å²	54.2	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-48.8	174.5	0	0	0	0	0	111.2	N309 M310 Y311 K315 R316 F317	N309-A313 PolarHBondContact O-N 3.29Å; M310-A313 WeakPolarHBondContact O-CB 3.24Å; M310-A313 PolarHBondContact O-N 3.38Å; M310-A313 VanDerWaalsContact O-N 3.11Å; Y311-A313 VanDerWaalsContact C-N 3.26Å; Y311-A313 PolarHBondContact O-N 2.86Å; A313-K315 PolarHBondContact O-N 2.95Å; A313-K315 VanDerWaalsContact O-N 3.17Å; A313-R316 WeakPolarHBondContact O-CB 3.1Å; A313-R316 PolarHBondContact O-N 2.89Å; A313-F317 WeakPolarHBondContact O-CD2 3.28Å
314	L	96.3	Very high	94.6	Very high	6 Å²	6	58.3 Å²	58.3	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-56.4	-33.2	179.5	-71.2	167.8	0	0	0	113.1	H258 I261 I262 F265 M310 Y311 R316 F317 F323 I328	H258-L314 HydrophobicContact CB-CD2 3.96Å; I261-L314 HydrophobicContact CB-CD1 4.04Å; I261-L314 HydrophobicContact CB-CD2 4.48Å; I261-L314 HydrophobicContact CG2-CD1 3.46Å; I261-L314 VanDerWaalsContact CG2-CD1 3.46Å; I261-L314 HydrophobicContact CG2-CD2 4.47Å; I262-L314 HydrophobicContact CD1-CB 4.27Å; I262-L314 HydrophobicContact CG1-CB 3.97Å; I262-L314 HydrophobicContact CG1-CD1 4.4Å; F265-L314 HydrophobicContact CD2-CD1 3.98Å; F265-L314 HydrophobicContact CE2-CD1 3.46Å; F265-L314 VanDerWaalsContact CE2-CD1 3.46Å; F265-L314 HydrophobicContact CZ-CD1 4.17Å; M310-L314 VanDerWaalsContact O-CG 3.32Å; M310-L314 WeakPolarHBondContact O-CG 3.3Å; M310-L314 PolarHBondContact O-N 3.25Å; Y311-L314 PolarHBondContact O-N 3.07Å; L314-R316 PolarHBondContact O-N 3.41Å; L314-R316 VanDerWaalsContact O-N 3.07Å; L314-F317 PolarHBondContact O-N 2.84Å; L314-F323 HydrophobicContact CD2-CD2 4.49Å; L314-F323 HydrophobicContact CD2-CG 4.44Å; L314-I328 HydrophobicContact CD2-CD1 4.45Å
315	K	95.1	Very high	94.6	Very high	70 Å²	70	58.3 Å²	58.3	30%	0.304	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.8	175.2	-73	-175	73.5	173	0	114.9	F247 R292 Y311 A313	F247-K315 HydrophobicContact CE1-CG 3.9Å; F247-K315 HydrophobicContact CZ-CB 4.45Å; F247-K315 HydrophobicContact CZ-CG 4.31Å; R292-K315 PolarHBondContact O-NZ 3.49Å; Y311-K315 HydrophobicContact CD1-CD 4.25Å; Y311-K315 HydrophobicContact CE1-CD 3.69Å; Y311-K315 HydrophobicContact CE1-CG 4.36Å; Y311-K315 HydrophobicContact CE2-CD 4.43Å; Y311-K315 HydrophobicContact CE2-CG 4.33Å; Y311-K315 WeakPolarHBondContact O-CG 3.37Å; Y311-K315 PolarHBondContact O-N 3.34Å; Y311-K315 VanDerWaalsContact O-N 3.13Å; A313-K315 PolarHBondContact O-N 2.95Å; A313-K315 VanDerWaalsContact O-N 3.17Å
316	R	94.8	Very high	94.6	Very high	205 Å²	205	57.3 Å²	57.3	77%	0.774	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-15.8	-178.3	-57.4	180	-178.2	-166.7	-2.1	112.9	A313 L314	A313-R316 WeakPolarHBondContact O-CB 3.1Å; A313-R316 PolarHBondContact O-N 2.89Å; L314-R316 PolarHBondContact O-N 3.41Å; L314-R316 VanDerWaalsContact O-N 3.07Å
317	F	94.6	Very high	94.6	Very high	56 Å²	56	61 Å²	61	25%	0.246	31%	0.305	C	S	.	.			trans	-73.2	146.4	-179.2	-73.9	-98.4	0	0	0	111.2	H258 A313 L314 E321 L322 F323	H258-F317 HydrophobicContact CB-CB 3.97Å; H258-F317 HydrophobicContact CB-CG 4.36Å; H258-F317 PolarHBondContact NE2-O 3.07Å; A313-F317 WeakPolarHBondContact O-CD2 3.28Å; L314-F317 PolarHBondContact O-N 2.84Å; F317-E321 WeakPolarHBondContact CA-OE2 3.48Å; F317-E321 HydrophobicContact CD1-CB 3.73Å; F317-E321 HydrophobicContact CE1-CB 4.43Å; F317-L322 WeakPolarHBondContact CE1-O 3.5Å; F317-F323 HydrophobicContact CD1-CB 4.41Å; F317-F323 HydrophobicContact CE1-CB 3.64Å; F317-F323 HydrophobicContact CE2-CB 4.42Å; F317-F323 HydrophobicContact CZ-CB 3.63Å
318	T	92.5	Very high	94.5	Very high	85 Å²	85	61.6 Å²	61.6	52%	0.521	31%	0.308	S	S	.	.			trans	-117.3	173.1	176.9	63.7	0	0	0	0	110.1	H258 G320 E321	H258-T318 PolarHBondContact CE1-O 3.22Å; T318-G320 PolarHBondContact O-N 2.68Å; T318-E321 WeakPolarHBondContact CB-OE2 3.49Å; T318-E321 PolarHBondContact N-OE2 3.36Å; T318-E321 PolarHBondContact O-N 3Å; T318-E321 VanDerWaalsContact OG1-CD 3.29Å; T318-E321 PolarHBondContact OG1-OE2 3.17Å
319	Y	91.8	Very high	94.6	Very high	52 Å²	52	62.1 Å²	62.1	20%	0.204	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	130.1	-175.4	-179.2	-89	0	0	0	112.1	I221 T229 I230 P232 E254 L255 E321	I221-Y319 HydrophobicContact CG2-CE2 4.5Å; T229-Y319 HydrophobicContact CG2-CE1 3.76Å; I230-Y319 WeakPolarHBondContact O-CE1 3.42Å; I230-Y319 PolarHBondContact O-OH 3.45Å; P232-Y319 HydrophobicContact CB-CD1 3.69Å; P232-Y319 HydrophobicContact CB-CD2 4.03Å; P232-Y319 HydrophobicContact CB-CE1 3.76Å; P232-Y319 HydrophobicContact CB-CE2 4.11Å; P232-Y319 HydrophobicContact CB-CG 3.81Å; P232-Y319 HydrophobicContact CG-CD1 3.7Å; P232-Y319 HydrophobicContact CG-CE1 3.98Å; P232-Y319 HydrophobicContact CG-CG 4.15Å; E254-Y319 HydrophobicContact CB-CD2 3.93Å; E254-Y319 HydrophobicContact CB-CE2 3.86Å; E254-Y319 HydrophobicContact CG-CD2 4.04Å; E254-Y319 HydrophobicContact CG-CE2 3.45Å; E254-Y319 VanDerWaalsContact CG-CE2 3.45Å; E254-Y319 WeakPolarHBondContact O-CD2 3.41Å; L255-Y319 WeakPolarHBondContact O-CE2 3.23Å; Y319-E321 VanDerWaalsContact C-N 3.28Å; Y319-E321 PolarHBondContact O-N 2.95Å
320	G	86.8	Confident	94.6	Very high	24 Å²	24	64.1 Å²	64.1	25%	0.247	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-7.4	177.6	0	0	0	0	0	114.9	S256 T318	S256-G320 PolarHBondContact OG-N 3.2Å; T318-G320 PolarHBondContact O-N 2.68Å
321	E	89.7	Confident	94.6	Very high	87 Å²	87	65.5 Å²	65.5	41%	0.407	32%	0.324	S	S	.	.			trans	-71.2	132.7	172.2	-69.7	-173.5	108.8	0	0	110.7	F317 T318 Y319	F317-E321 WeakPolarHBondContact CA-OE2 3.48Å; F317-E321 HydrophobicContact CD1-CB 3.73Å; F317-E321 HydrophobicContact CE1-CB 4.43Å; T318-E321 WeakPolarHBondContact CB-OE2 3.49Å; T318-E321 PolarHBondContact N-OE2 3.36Å; T318-E321 PolarHBondContact O-N 3Å; T318-E321 VanDerWaalsContact OG1-CD 3.29Å; T318-E321 PolarHBondContact OG1-OE2 3.17Å; Y319-E321 VanDerWaalsContact C-N 3.28Å; Y319-E321 PolarHBondContact O-N 2.95Å
322	L	86.6	Confident	94.6	Very high	125 Å²	125	65.4 Å²	65.4	65%	0.654	32%	0.323	S	S	*	.			trans	-90.9	145.3	177.9	-58.4	177.8	0	0	0	110	F317	F317-L322 WeakPolarHBondContact CE1-O 3.5Å
323	F	90.7	Very high	94.6	Very high	31 Å²	31	63 Å²	63	14%	0.136	32%	0.319	C	S	.	.			trans	-129.9	166.1	169.8	64.8	-84.9	0	0	0	109.5	P257 H258 I261 L314 F317 H325 I328	P257-F323 VanDerWaalsContact C-CE1 3.5Å; P257-F323 HydrophobicContact CB-CE1 3.64Å; P257-F323 HydrophobicContact CB-CZ 4.29Å; H258-F323 HydrophobicContact CB-CD1 4.09Å; H258-F323 HydrophobicContact CB-CE1 3.95Å; I261-F323 HydrophobicContact CB-CZ 4.44Å; I261-F323 HydrophobicContact CD1-CE2 4.46Å; I261-F323 HydrophobicContact CD1-CZ 4.23Å; I261-F323 HydrophobicContact CG1-CE1 4.35Å; I261-F323 HydrophobicContact CG1-CE2 3.74Å; I261-F323 HydrophobicContact CG1-CZ 3.35Å; L314-F323 HydrophobicContact CD2-CD2 4.49Å; L314-F323 HydrophobicContact CD2-CG 4.44Å; F317-F323 HydrophobicContact CD1-CB 4.41Å; F317-F323 HydrophobicContact CE1-CB 3.64Å; F317-F323 HydrophobicContact CE2-CB 4.42Å; F317-F323 HydrophobicContact CZ-CB 3.63Å; F323-H325 AromaticContact CE2-CE1 3.94Å; F323-H325 AromaticContact CE2-CG 3.93Å; F323-H325 AromaticContact CE2-ND1 3.86Å; F323-H325 AromaticContact CZ-CE1 3.72Å; F323-H325 AromaticContact CZ-NE2 3.76Å; F323-H325 PolarHBondContact O-N 2.61Å; F323-I328 HydrophobicContact CD2-CD1 3.69Å; F323-I328 HydrophobicContact CE2-CD1 3.53Å
324	N	93.6	Very high	94.7	Very high	89 Å²	89	66.8 Å²	66.8	48%	0.476	33%	0.329	S	S	.	.			trans	-87.7	104.8	-177.9	-171.9	-12.7	0	0	0	110.8	S326 E327	N324-S326 VanDerWaalsContact C-N 3.29Å; N324-S326 PolarHBondContact O-N 3.2Å; N324-S326 WeakPolarHBondContact OD1-CA 3.47Å; N324-S326 VanDerWaalsContact OD1-CB 3.22Å; N324-S326 WeakPolarHBondContact OD1-CB 3.36Å; N324-S326 PolarHBondContact OD1-N 3.33Å; N324-E327 HydrophobicContact CB-CB 4.08Å; N324-E327 PolarHBondContact O-N 3.09Å; N324-E327 PolarHBondContact OD1-N 3.34Å
325	H	96.6	Very high	94.7	Very high	26 Å²	26	66.9 Å²	66.9	12%	0.12	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-37.5	173.5	-68.5	77	0	0	0	113.1	S182 H185 F323 E327 I328 I329	S182-H325 WeakPolarHBondContact CA-CD2 3.28Å; S182-H325 WeakPolarHBondContact OG-CB 3.35Å; H185-H325 AromaticContact CE1-NE2 3.74Å; H185-H325 AromaticContact CG-NE2 3.58Å; H185-H325 AromaticContact ND1-CE1 3.4Å; H185-H325 PolarHBondContact ND1-CE1 3.11Å; H185-H325 AromaticContact ND1-NE2 2.8Å; H185-H325 PolarHBondContact ND1-NE2 2.85Å; F323-H325 AromaticContact CE2-CE1 3.94Å; F323-H325 AromaticContact CE2-CG 3.93Å; F323-H325 AromaticContact CE2-ND1 3.86Å; F323-H325 AromaticContact CZ-CE1 3.72Å; F323-H325 AromaticContact CZ-NE2 3.76Å; F323-H325 PolarHBondContact O-N 2.61Å; H325-E327 VanDerWaalsContact C-N 3.27Å; H325-E327 PolarHBondContact O-N 3.47Å; H325-I328 WeakPolarHBondContact O-CB 3.45Å; H325-I328 PolarHBondContact O-N 3.08Å; H325-I329 WeakPolarHBondContact O-CG1 3.41Å; H325-I329 PolarHBondContact O-N 3.37Å
326	S	97.2	Very high	94.8	Very high	64 Å²	64	63.5 Å²	63.5	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-39.6	179.7	-52.1	0	0	0	0	111.1	N324 I328 I329 E330	N324-S326 VanDerWaalsContact C-N 3.29Å; N324-S326 PolarHBondContact O-N 3.2Å; N324-S326 WeakPolarHBondContact OD1-CA 3.47Å; N324-S326 VanDerWaalsContact OD1-CB 3.22Å; N324-S326 WeakPolarHBondContact OD1-CB 3.36Å; N324-S326 PolarHBondContact OD1-N 3.33Å; S326-I328 VanDerWaalsContact C-N 3.27Å; S326-I328 PolarHBondContact O-N 2.57Å; S326-I329 PolarHBondContact O-N 2.92Å; S326-E330 VanDerWaalsContact O-CB 3.3Å; S326-E330 WeakPolarHBondContact O-CB 3.32Å; S326-E330 WeakPolarHBondContact O-CG 3.42Å; S326-E330 PolarHBondContact O-N 3.37Å
327	E	97.1	Very high	94.8	Very high	106 Å²	106	57.5 Å²	57.5	50%	0.495	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-37.2	176.2	-172.2	-174.3	159.4	0	0	112	N324 H325 Q331	N324-E327 HydrophobicContact CB-CB 4.08Å; N324-E327 PolarHBondContact O-N 3.09Å; N324-E327 PolarHBondContact OD1-N 3.34Å; H325-E327 VanDerWaalsContact C-N 3.27Å; H325-E327 PolarHBondContact O-N 3.47Å; E327-Q331 WeakPolarHBondContact O-CB 3.48Å; E327-Q331 WeakPolarHBondContact O-CG 3.49Å; E327-Q331 PolarHBondContact O-N 3.14Å; E327-Q331 VanDerWaalsContact O-N 3.09Å; E327-Q331 PolarHBondContact OE1-NE2 2.84Å
328	I	97.5	Very high	94.9	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.056	31%	0.311	C	S	.	.	H	α-helix	trans	-69.8	-47.6	177.6	-58.5	-172.3	0	0	0	110.5	I261 F265 M310 L314 F323 H325 S326 E330 Q331 L332	I261-I328 HydrophobicContact CG1-CD1 4.43Å; I261-I328 HydrophobicContact CG2-CD1 3.79Å; F265-I328 HydrophobicContact CE1-CG2 4.34Å; F265-I328 HydrophobicContact CZ-CG2 4.17Å; M310-I328 HydrophobicContact CE-CG2 4.48Å; M310-I328 HydrophobicContact SD-CB 4.06Å; M310-I328 HydrophobicContact SD-CG1 3.99Å; M310-I328 HydrophobicContact SD-CG2 3.91Å; L314-I328 HydrophobicContact CD2-CD1 4.45Å; F323-I328 HydrophobicContact CD2-CD1 3.69Å; F323-I328 HydrophobicContact CE2-CD1 3.53Å; H325-I328 WeakPolarHBondContact O-CB 3.45Å; H325-I328 PolarHBondContact O-N 3.08Å; S326-I328 VanDerWaalsContact C-N 3.27Å; S326-I328 PolarHBondContact O-N 2.57Å; I328-E330 VanDerWaalsContact C-N 3.33Å; I328-E330 PolarHBondContact O-N 3.27Å; I328-Q331 PolarHBondContact O-N 2.76Å; I328-L332 HydrophobicContact CG2-CD1 4.2Å; I328-L332 WeakPolarHBondContact O-CG 3.4Å; I328-L332 PolarHBondContact O-N 2.87Å
329	I	98.3	Very high	94.9	Very high	26 Å²	26	57.4 Å²	57.4	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-43.7	179	-67.8	161.7	0	0	0	110.5	I175 A178 E179 H325 S326 L332 T333	I175-I329 HydrophobicContact CG2-CG2 4.31Å; A178-I329 HydrophobicContact CB-CG1 3.77Å; E179-I329 HydrophobicContact CG-CD1 3.81Å; E179-I329 HydrophobicContact CG-CG1 4.27Å; E179-I329 HydrophobicContact CG-CG2 4.38Å; H325-I329 WeakPolarHBondContact O-CG1 3.41Å; H325-I329 PolarHBondContact O-N 3.37Å; S326-I329 PolarHBondContact O-N 2.92Å; I329-L332 PolarHBondContact O-N 3.41Å; I329-T333 WeakPolarHBondContact O-CB 3.34Å; I329-T333 PolarHBondContact O-N 2.92Å; I329-T333 PolarHBondContact O-OG1 3.36Å
330	E	98	Very high	94.9	Very high	130 Å²	130	61 Å²	61	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-62	-46.6	177	-76.3	171.6	-163.7	0	0	111.9	S326 I328 L332 T333 Q334	S326-E330 VanDerWaalsContact O-CB 3.3Å; S326-E330 WeakPolarHBondContact O-CB 3.32Å; S326-E330 WeakPolarHBondContact O-CG 3.42Å; S326-E330 PolarHBondContact O-N 3.37Å; I328-E330 VanDerWaalsContact C-N 3.33Å; I328-E330 PolarHBondContact O-N 3.27Å; E330-L332 PolarHBondContact O-N 3.23Å; E330-T333 PolarHBondContact O-N 3.45Å; E330-Q334 WeakPolarHBondContact O-CB 3.48Å; E330-Q334 PolarHBondContact O-N 3.09Å
331	Q	97.9	Very high	95.1	Very high	42 Å²	42	60.2 Å²	60.2	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-37.2	178.5	-77.6	-174.3	72.5	0	0	112.8	C306 M310 E327 I328 A335	C306-Q331 HydrophobicContact CB-CB 4.37Å; M310-Q331 HydrophobicContact CE-CB 3.87Å; M310-Q331 HydrophobicContact SD-CB 3.86Å; M310-Q331 HydrophobicContact SD-CG 4.37Å; E327-Q331 WeakPolarHBondContact O-CB 3.48Å; E327-Q331 WeakPolarHBondContact O-CG 3.49Å; E327-Q331 PolarHBondContact O-N 3.14Å; E327-Q331 VanDerWaalsContact O-N 3.09Å; E327-Q331 PolarHBondContact OE1-NE2 2.84Å; I328-Q331 PolarHBondContact O-N 2.76Å; Q331-A335 WeakPolarHBondContact O-CB 3.32Å; Q331-A335 PolarHBondContact O-N 3.08Å; Q331-A335 VanDerWaalsContact O-N 3.08Å
332	L	98	Very high	95	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.7	-41.3	173.7	-69.3	179.8	0	0	0	111.5	L171 I175 M268 I307 M310 I328 I329 E330 A335 A336	L171-L332 HydrophobicContact CD2-CD2 4Å; I175-L332 HydrophobicContact CD1-CB 4.44Å; I175-L332 HydrophobicContact CG1-CB 3.65Å; M268-L332 HydrophobicContact CE-CD2 3.88Å; I307-L332 HydrophobicContact CD1-CD2 4.11Å; I307-L332 HydrophobicContact CG1-CD2 3.92Å; M310-L332 HydrophobicContact CE-CD2 4.14Å; M310-L332 HydrophobicContact CE-CG 4.34Å; I328-L332 HydrophobicContact CG2-CD1 4.2Å; I328-L332 WeakPolarHBondContact O-CG 3.4Å; I328-L332 PolarHBondContact O-N 2.87Å; I329-L332 PolarHBondContact O-N 3.41Å; E330-L332 PolarHBondContact O-N 3.23Å; L332-A335 PolarHBondContact O-N 3.13Å; L332-A336 PolarHBondContact O-N 2.88Å
333	T	97.9	Very high	95.1	Very high	42 Å²	42	60.8 Å²	60.8	26%	0.258	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-48.3	176.3	-59.5	0	0	0	0	111.2	I329 E330 A335 A336 D337	I329-T333 WeakPolarHBondContact O-CB 3.34Å; I329-T333 PolarHBondContact O-N 2.92Å; I329-T333 PolarHBondContact O-OG1 3.36Å; E330-T333 PolarHBondContact O-N 3.45Å; T333-A335 VanDerWaalsContact C-N 3.3Å; T333-A335 PolarHBondContact O-N 2.93Å; T333-A336 WeakPolarHBondContact O-CB 3.27Å; T333-A336 PolarHBondContact O-N 2.85Å; T333-A336 VanDerWaalsContact O-N 3.13Å; T333-D337 WeakPolarHBondContact O-CB 3.26Å; T333-D337 VanDerWaalsContact O-CG 3.24Å; T333-D337 PolarHBondContact O-N 2.89Å
334	Q	97.5	Very high	95	Very high	126 Å²	126	61.1 Å²	61.1	59%	0.589	32%	0.317	S	S	*	.	H	α-helix	trans	-59.7	-41.6	176.6	-171.3	179.3	32.3	0	0	111.7	E330 D337 I338	E330-Q334 WeakPolarHBondContact O-CB 3.48Å; E330-Q334 PolarHBondContact O-N 3.09Å; Q334-D337 PolarHBondContact O-N 3.32Å; Q334-I338 HydrophobicContact CG-CD1 4.08Å; Q334-I338 WeakPolarHBondContact O-CD1 3.45Å; Q334-I338 VanDerWaalsContact O-CG1 3.23Å; Q334-I338 WeakPolarHBondContact O-CG1 3.42Å; Q334-I338 PolarHBondContact O-N 2.86Å
335	A	97.3	Very high	94.7	Very high	7 Å²	7	57.3 Å²	57.3	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-41.6	175.8	0	0	0	0	0	112.2	L171 P304 Q331 L332 T333 D337 L339	L171-A335 HydrophobicContact CD1-CB 4.03Å; L171-A335 HydrophobicContact CD2-CB 4.12Å; P304-A335 HydrophobicContact CB-CB 4.28Å; P304-A335 HydrophobicContact CG-CB 4.12Å; Q331-A335 WeakPolarHBondContact O-CB 3.32Å; Q331-A335 PolarHBondContact O-N 3.08Å; Q331-A335 VanDerWaalsContact O-N 3.08Å; L332-A335 PolarHBondContact O-N 3.13Å; T333-A335 VanDerWaalsContact C-N 3.3Å; T333-A335 PolarHBondContact O-N 2.93Å; A335-D337 VanDerWaalsContact C-N 3.35Å; A335-L339 WeakPolarHBondContact O-CG 3.44Å; A335-L339 PolarHBondContact O-N 2.85Å
336	A	96.7	Very high	94.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-41.4	177	0	0	0	0	0	111.6	L171 I175 L332 T333 L339 N340 A341	L171-A336 HydrophobicContact CB-CB 3.94Å; L171-A336 HydrophobicContact CD1-CB 4.35Å; I175-A336 HydrophobicContact CD1-CB 4.16Å; L332-A336 PolarHBondContact O-N 2.88Å; T333-A336 WeakPolarHBondContact O-CB 3.27Å; T333-A336 PolarHBondContact O-N 2.85Å; T333-A336 VanDerWaalsContact O-N 3.13Å; A336-L339 PolarHBondContact O-N 3.08Å; A336-N340 PolarHBondContact O-N 3.3Å; A336-A341 HydrophobicContact CB-CB 4.19Å; A336-A341 WeakPolarHBondContact O-CB 3.33Å; A336-A341 PolarHBondContact O-N 3.49Å
337	D	95.4	Very high	93.5	Very high	79 Å²	79	60.1 Å²	60.1	42%	0.422	30%	0.297	S	S	.	.	H	α-helix	trans	-70.6	-38.1	-179	-66.8	-15	0	0	0	111.8	R172 T333 Q334 A335 L339 N340	R172-D337 IonicContact CZ-OD1 3.84Å; R172-D337 IonicContact NH1-OD1 2.65Å; R172-D337 IonicContact NH2-OD1 3.57Å; R172-D337 PolarHBondContact NH2-OD1 2.82Å; T333-D337 WeakPolarHBondContact O-CB 3.26Å; T333-D337 VanDerWaalsContact O-CG 3.24Å; T333-D337 PolarHBondContact O-N 2.89Å; Q334-D337 PolarHBondContact O-N 3.32Å; A335-D337 VanDerWaalsContact C-N 3.35Å; D337-L339 PolarHBondContact O-N 3.4Å; D337-N340 PolarHBondContact O-N 2.94Å
338	I	95	Very high	92.6	Very high	98 Å²	98	57.8 Å²	57.8	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-35	171.3	-72	165.2	0	0	0	111.2	Q334 N340 M360	Q334-I338 HydrophobicContact CG-CD1 4.08Å; Q334-I338 WeakPolarHBondContact O-CD1 3.45Å; Q334-I338 VanDerWaalsContact O-CG1 3.23Å; Q334-I338 WeakPolarHBondContact O-CG1 3.42Å; Q334-I338 PolarHBondContact O-N 2.86Å; I338-N340 PolarHBondContact O-N 2.91Å; I338-M360 WeakPolarHBondContact O-CE 3.34Å
339	L	92.7	Very high	91.8	Very high	41 Å²	41	61.3 Å²	61.3	22%	0.215	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.4	176.3	-65.1	-177	0	0	0	114	L167 L171 A335 A336 D337 A341 M360	L167-L339 HydrophobicContact CB-CD1 4.1Å; L167-L339 HydrophobicContact CD2-CD1 3.47Å; L167-L339 VanDerWaalsContact CD2-CD1 3.47Å; L167-L339 HydrophobicContact CG-CD1 3.54Å; L171-L339 HydrophobicContact CD1-CD1 3.58Å; L171-L339 HydrophobicContact CD1-CG 4.49Å; A335-L339 WeakPolarHBondContact O-CG 3.44Å; A335-L339 PolarHBondContact O-N 2.85Å; A336-L339 PolarHBondContact O-N 3.08Å; D337-L339 PolarHBondContact O-N 3.4Å; L339-A341 PolarHBondContact O-N 3.29Å; L339-M360 HydrophobicContact CB-CE 4.34Å; L339-M360 HydrophobicContact CD2-CE 3.43Å; L339-M360 VanDerWaalsContact CD2-CE 3.43Å; L339-M360 HydrophobicContact CG-CE 4.44Å
340	N	93.1	Very high	90.4	Very high	127 Å²	127	64.6 Å²	64.6	68%	0.679	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.9	-168	-58.2	-71.2	0	0	0	112.3	A336 D337 I338	A336-N340 PolarHBondContact O-N 3.3Å; D337-N340 PolarHBondContact O-N 2.94Å; I338-N340 PolarHBondContact O-N 2.91Å
341	A	90.8	Very high	88.9	Confident	8 Å²	8	63.5 Å²	63.5	7%	0.066	33%	0.325	C	S	.	.			trans	-63.9	128	178.9	0	0	0	0	0	109.5	G168 R172 A336 L339	G168-A341 VanDerWaalsContact CA-CB 3.46Å; R172-A341 HydrophobicContact CG-CB 4.38Å; R172-A341 PolarHBondContact NE-O 2.83Å; R172-A341 PolarHBondContact NH2-O 2.75Å; A336-A341 HydrophobicContact CB-CB 4.19Å; A336-A341 WeakPolarHBondContact O-CB 3.33Å; A336-A341 PolarHBondContact O-N 3.49Å; L339-A341 PolarHBondContact O-N 3.29Å
342	P	87.2	Confident	87.4	Confident	49 Å²	49	62.3 Å²	62.3	32%	0.318	32%	0.321	S	S	.	.			trans	-60.8	150.6	-179.8	27.8	-35.7	0	0	0	110.5	R172 L355	R172-P342 WeakPolarHBondContact CG-O 3.36Å; R172-P342 PolarHBondContact NE-O 2.99Å; R172-P342 VanDerWaalsContact NE-O 3.08Å; P342-L355 HydrophobicContact CG-CD1 3.46Å; P342-L355 VanDerWaalsContact CG-CD1 3.46Å; P342-L355 HydrophobicContact CG-CD2 3.72Å; P342-L355 HydrophobicContact CG-CG 4.07Å
343	K	88.5	Confident	85.3	Confident	175 Å²	175	65.4 Å²	65.4	76%	0.761	34%	0.34	S	S	*	.	S	Bend	trans	-71.7	-35.5	177.1	-68.1	-172.2	176.2	-174.2	0	112.3
344	S	88.3	Confident	82.9	Confident	38 Å²	38	67.5 Å²	67.5	27%	0.266	36%	0.355	S	S	.	.			trans	-77.5	133.5	174.7	179.2	0	0	0	0	109.6	D208 R346	D208-S344 PolarHBondContact OD1-OG 3.27Å; D208-S344 WeakPolarHBondContact OD2-CB 3.43Å; D208-S344 PolarHBondContact OD2-OG 3.31Å; S344-R346 WeakPolarHBondContact OG-CG 3.48Å
345	L	87.2	Confident	80.5	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.042	34%	0.342	C	S	.	.			trans	-85.8	-30.5	-177	-82.4	174.7	0	0	0	111.6	T169 R172 I173 D208 I210 L347	T169-L345 HydrophobicContact CG2-CD2 4.18Å; R172-L345 HydrophobicContact CB-CD2 3.5Å; R172-L345 VanDerWaalsContact CB-CD2 3.5Å; R172-L345 HydrophobicContact CB-CG 4.29Å; I173-L345 HydrophobicContact CG1-CD2 4.04Å; D208-L345 PolarHBondContact OD1-N 2.96Å; I210-L345 HydrophobicContact CD1-CD1 3.65Å; I210-L345 HydrophobicContact CG1-CD1 4Å; L345-L347 HydrophobicContact CB-CD1 4Å; L345-L347 HydrophobicContact CB-CG 3.91Å; L345-L347 HydrophobicContact CD1-CD1 4.02Å; L345-L347 HydrophobicContact CD2-CD1 4.32Å; L345-L347 HydrophobicContact CG-CD1 4.37Å; L345-L347 PolarHBondContact O-N 3.26Å; L345-L347 VanDerWaalsContact O-N 3.08Å
346	R	84.1	Confident	78	Confident	150 Å²	150	70 Å²	70	57%	0.566	37%	0.365	S	S	*	.			trans	51.2	31.8	179.2	-56.9	-174.2	177	-172	-1.4	113.7	D208 S344 D348 E349	D208-R346 PolarHBondContact OD1-N 3.36Å; D208-R346 VanDerWaalsContact OD1-N 3.07Å; S344-R346 WeakPolarHBondContact OG-CG 3.48Å; R346-D348 PolarHBondContact O-N 2.95Å; R346-E349 HydrophobicContact CB-CG 4.15Å; R346-E349 WeakPolarHBondContact O-CB 3.23Å; R346-E349 WeakPolarHBondContact O-CG 3.43Å; R346-E349 PolarHBondContact O-N 3.4Å
347	L	85.2	Confident	75.1	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.4	-176.8	-70.1	173.4	0	0	0	113.2	L153 I156 F165 T169 I173 I201 L345 E349 V352	L153-L347 HydrophobicContact CD2-CD1 3.94Å; I156-L347 HydrophobicContact CD1-CB 4.14Å; I156-L347 HydrophobicContact CG2-CB 4.11Å; I156-L347 HydrophobicContact CG2-CD2 3.91Å; F165-L347 HydrophobicContact CE1-CD2 4.09Å; F165-L347 HydrophobicContact CZ-CD2 4.16Å; T169-L347 HydrophobicContact CG2-CD2 3.99Å; I173-L347 HydrophobicContact CD1-CD1 4.26Å; I173-L347 HydrophobicContact CG1-CD1 4.27Å; I201-L347 HydrophobicContact CD1-CB 4.31Å; I201-L347 HydrophobicContact CG2-CB 3.96Å; I201-L347 HydrophobicContact CG2-CD1 3.94Å; L345-L347 HydrophobicContact CB-CD1 4Å; L345-L347 HydrophobicContact CB-CG 3.91Å; L345-L347 HydrophobicContact CD1-CD1 4.02Å; L345-L347 HydrophobicContact CD2-CD1 4.32Å; L345-L347 HydrophobicContact CG-CD1 4.37Å; L345-L347 PolarHBondContact O-N 3.26Å; L345-L347 VanDerWaalsContact O-N 3.08Å; L347-E349 VanDerWaalsContact C-N 3.35Å; L347-V352 HydrophobicContact CD2-CG1 3.7Å
348	D	78.5	Confident	72.4	Confident	57 Å²	57	78.3 Å²	78.3	31%	0.305	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-19	174	63.9	-56.1	0	0	0	113.1	I201 K207 R346	I201-D348 HydrophobicContact CD1-CB 3.95Å; K207-D348 HydrophobicContact CB-CB 4.32Å; K207-D348 WeakPolarHBondContact CD-OD2 3.49Å; K207-D348 VanDerWaalsContact NZ-CG 3.29Å; K207-D348 IonicContact NZ-OD1 3.56Å; K207-D348 PolarHBondContact NZ-OD1 3.27Å; K207-D348 VanDerWaalsContact NZ-OD1 3.11Å; K207-D348 IonicContact NZ-OD2 2.86Å; K207-D348 PolarHBondContact NZ-OD2 3.46Å; R346-D348 PolarHBondContact O-N 2.95Å
349	E	79.4	Confident	69.4	Low	84 Å²	84	79 Å²	79	39%	0.393	43%	0.426	S	S	.	.	S	Bend	trans	-65.6	146.2	-179.2	-61.9	-64.4	164.4	0	0	111.9	R346 L347 D351	R346-E349 HydrophobicContact CB-CG 4.15Å; R346-E349 WeakPolarHBondContact O-CB 3.23Å; R346-E349 WeakPolarHBondContact O-CG 3.43Å; R346-E349 PolarHBondContact O-N 3.4Å; L347-E349 VanDerWaalsContact C-N 3.35Å; E349-D351 VanDerWaalsContact C-N 3.31Å; E349-D351 PolarHBondContact O-N 3.29Å
350	P	69.4	Low	66.8	Low	95 Å²	95	81.2 Å²	81.2	62%	0.617	44%	0.436	S	S	*	.	S	Bend	trans	-64.3	-36.2	-178.8	22.7	-30.9	0	0	0	112.6
351	D	67.5	Low	64.2	Low	108 Å²	108	82.8 Å²	82.8	58%	0.578	44%	0.439	S	S	*	.			trans	-110.7	94.8	176	-72.3	-35.1	0	0	0	109.9	E349 T353	E349-D351 VanDerWaalsContact C-N 3.31Å; E349-D351 PolarHBondContact O-N 3.29Å; D351-T353 PolarHBondContact O-N 2.95Å
352	V	66.2	Low	61.7	Low	16 Å²	16	88.1 Å²	88.1	10%	0.097	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	8.8	178.8	-165.3	0	0	0	0	112	I156 R159 F165 L347 C354	I156-V352 HydrophobicContact CG2-CG1 4.46Å; I156-V352 HydrophobicContact CG2-CG2 3.79Å; R159-V352 HydrophobicContact CB-CG2 4.23Å; F165-V352 HydrophobicContact CD1-CG1 4.03Å; F165-V352 HydrophobicContact CE1-CG1 3.8Å; L347-V352 HydrophobicContact CD2-CG1 3.7Å; V352-C354 PolarHBondContact O-N 3.21Å
353	T	53	Low	59.3	Low	66 Å²	66	89.3 Å²	89.3	41%	0.405	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-0.9	-176	51.9	0	0	0	0	114.3	M161 D351 L355	M161-T353 HydrophobicContact CB-CG2 3.58Å; D351-T353 PolarHBondContact O-N 2.95Å; T353-L355 PolarHBondContact O-N 3.27Å
354	C	46.9	Very low	56.9	Low	85 Å²	85	85.4 Å²	85.4	57%	0.574	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	87.6	174.6	-65.5	0	0	0	0	110.4	V352	V352-C354 PolarHBondContact O-N 3.21Å
355	L	48.1	Very low	54.7	Low	60 Å²	60	90 Å²	90	31%	0.314	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	173.6	4.9	149	-92.4	163.4	0	0	0	114.6	D166 T169 P342 T353 N357	D166-L355 HydrophobicContact CB-CB 4.4Å; D166-L355 WeakPolarHBondContact OD2-CB 3.39Å; T169-L355 WeakPolarHBondContact OG1-CD1 3.31Å; P342-L355 HydrophobicContact CG-CD1 3.46Å; P342-L355 VanDerWaalsContact CG-CD1 3.46Å; P342-L355 HydrophobicContact CG-CD2 3.72Å; P342-L355 HydrophobicContact CG-CG 4.07Å; T353-L355 PolarHBondContact O-N 3.27Å; L355-N357 PolarHBondContact O-N 2.8Å
356	K	44.9	Very low	52.4	Low	127 Å²	127	100.7 Å²	100.7	55%	0.552	54%	0.541	S	S	*	.			trans	-65.8	-0.1	174.4	-75.2	-171.5	176.5	-176.4	0	115	D162 V358	D162-K356 IonicContact OD2-NZ 2.88Å; D162-K356 PolarHBondContact OD2-NZ 3.32Å; K356-V358 PolarHBondContact O-N 3.42Å
357	N	36.6	Very low	50.3	Low	161 Å²	161	97.4 Å²	97.4	86%	0.861	54%	0.541	S	S	*	.			trans	-98.9	57.3	180	-71	-16.8	0	0	0	112.9	L355	L355-N357 PolarHBondContact O-N 2.8Å
358	V	37.2	Very low	48.1	Very low	92 Å²	92	102 Å²	102	56%	0.558	58%	0.578	S	S	*	*			trans	-139.6	92.7	142.1	-170.3	0	0	0	0	107.1	K356 M360	K356-V358 PolarHBondContact O-N 3.42Å; V358-M360 HydrophobicContact CG1-CG 3.5Å; V358-M360 PolarHBondContact O-N 2.97Å
359	S	32.6	Very low	46.3	Very low	111 Å²	111	108.1 Å²	108.1	78%	0.776	60%	0.602	S	S	*	*			trans	-58.1	86.7	158.5	156.2	0	0	0	0	108.2	H361	S359-H361 PolarHBondContact O-N 3.17Å
360	M	38.5	Very low	44.4	Very low	88 Å²	88	112.8 Å²	112.8	43%	0.433	62%	0.621	S	S	.	*			trans	-86.5	107.2	164.1	-78.9	-137.1	-81.2	0	0	108.3	I338 L339 V358 T362	I338-M360 WeakPolarHBondContact O-CE 3.34Å; L339-M360 HydrophobicContact CB-CE 4.34Å; L339-M360 HydrophobicContact CD2-CE 3.43Å; L339-M360 VanDerWaalsContact CD2-CE 3.43Å; L339-M360 HydrophobicContact CG-CE 4.44Å; V358-M360 HydrophobicContact CG1-CG 3.5Å; V358-M360 PolarHBondContact O-N 2.97Å; M360-T362 PolarHBondContact O-N 3.21Å
361	H	37.5	Very low	42.8	Very low	160 Å²	160	116 Å²	116	74%	0.741	63%	0.634	S	S	*	*			trans	-40	116.8	159.6	-86	-69.6	0	0	0	109.6	S359 A363	S359-H361 PolarHBondContact O-N 3.17Å; H361-A363 HydrophobicContact CB-CB 4.31Å; H361-A363 PolarHBondContact O-N 3.28Å
362	T	38.3	Very low	41.6	Very low	120 Å²	120	117.4 Å²	117.4	74%	0.736	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	22.7	170.3	41.8	0	0	0	0	113.5	M360	M360-T362 PolarHBondContact O-N 3.21Å
363	A	37	Very low	40.2	Very low	75 Å²	75	122.2 Å²	122.2	62%	0.62	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-19.2	-178.6	0	0	0	0	0	114.2	H361	H361-A363 HydrophobicContact CB-CB 4.31Å; H361-A363 PolarHBondContact O-N 3.28Å
364	S	38.3	Very low	39.5	Very low	92 Å²	92	130.8 Å²	130.8	64%	0.643	70%	0.702	S	S	*	*	S	Bend	trans	-85.5	-27	-174.9	-171.5	0	0	0	0	114.4	R366 S367	S364-R366 PolarHBondContact O-N 3.05Å; S364-S367 PolarHBondContact O-N 3.43Å; S364-S367 PolarHBondContact O-OG 2.77Å
365	L	42.8	Very low	39.4	Very low	135 Å²	135	138.4 Å²	138.4	71%	0.707	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-7.3	-176.1	-73.9	160.6	0	0	0	114.3
366	R	39.3	Very low	39	Very low	232 Å²	232	140.7 Å²	140.7	88%	0.875	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-11.5	176.5	-74.6	-175.8	175.5	-175.2	0.1	114.5	S364	S364-R366 PolarHBondContact O-N 3.05Å
367	S	38	Very low	39	Very low	82 Å²	82	144.6 Å²	144.6	57%	0.573	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-13.7	-175.2	66.8	0	0	0	0	114.7	S364 K369	S364-S367 PolarHBondContact O-N 3.43Å; S364-S367 PolarHBondContact O-OG 2.77Å; S367-K369 PolarHBondContact O-N 3.48Å
368	A	39.3	Very low	39.6	Very low	95 Å²	95	141.9 Å²	141.9	79%	0.785	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	1.9	-180	0	0	0	0	0	115.2
369	K	42	Very low	39.9	Very low	186 Å²	186	147.9 Å²	147.9	81%	0.809	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	11.8	178.3	-83.6	-177.9	176.9	169.1	0	115.1	S367	S367-K369 PolarHBondContact O-N 3.48Å
370	K	39.8	Very low	40.2	Very low	183 Å²	183	149.7 Å²	149.7	80%	0.796	79%	0.787	S	S	*	*	S	Bend	trans	-132.4	72	177.3	-71	-175.4	178.8	-179.8	0	110.9
371	N	35	Very low	40.3	Very low	163 Å²	163	152.9 Å²	152.9	87%	0.872	81%	0.806	S	S	*	*			trans	-173.1	70.5	156.9	-90.7	-22.4	0	0	0	109.5
372	V	41.9	Very low	40.5	Very low	136 Å²	136	152.6 Å²	152.6	82%	0.824	81%	0.809	S	S	*	*			trans	-112.4	112.7	159.5	179.4	0	0	0	0	106.1	R374	V372-R374 PolarHBondContact O-N 3.24Å
373	P	37.3	Very low	40.6	Very low	118 Å²	118	154.5 Å²	154.5	77%	0.766	81%	0.814	S	S	*	*			trans	-69.4	120.4	177.2	26.4	-28.7	0	0	0	108.8	R375	P373-R375 PolarHBondContact O-N 3.04Å
374	R	38.6	Very low	40.8	Very low	246 Å²	246	159.4 Å²	159.4	93%	0.928	83%	0.826	S	S	*	*			trans	-59.3	107	167.5	-79.6	-180	171.3	175.7	-3.4	108.2	V372 S376	V372-R374 PolarHBondContact O-N 3.24Å; R374-S376 PolarHBondContact O-N 3.26Å
375	R	44	Very low	41	Very low	244 Å²	244	163.9 Å²	163.9	92%	0.921	84%	0.838	S	S	*	*			trans	-74.5	102.7	158.9	-96.6	-176.7	166.8	179.7	-3.5	108	P373	P373-R375 PolarHBondContact O-N 3.04Å
376	S	40.9	Very low	40.9	Very low	109 Å²	109	166 Å²	166	76%	0.762	85%	0.847	S	S	*	*			trans	-61.6	124.4	156.1	41	0	0	0	0	108.9	R374	R374-S376 PolarHBondContact O-N 3.26Å
377	K	44.9	Very low	41	Very low	208 Å²	208	160.9 Å²	160.9	90%	0.904	85%	0.845	S	S	*	*			trans	-108.1	110.4	150.6	-83.2	-170.6	173.6	-173.9	0	106.5
378	S	48.7	Very low	41.2	Very low	104 Å²	104	167.5 Å²	167.5	73%	0.727	87%	0.868	S	S	*	*			trans	-83.6	135.4	165.7	49.8	0	0	0	0	109.3
379	V	42.4	Very low	41.4	Very low	218 Å²	218	174.1 Å²	174.1	100%	1.321	88%	0.876	S	S	*	*			trans	59.2	0	164.5	-168.4	0	0	0	0	117.3

Retrieved 379 of 379 residues in 205.7 ms (Link to these results)

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