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Interleukin-1 receptor-associated kinase 3

Putative inactive protein kinase which regulates signaling downstream of immune receptors including IL1R and Toll-like receptors. Inhibits dissociation of IRAK1 and IRAK4 from the Toll-like receptor signaling complex by either inhibiting the phosphorylation of IRAK1 and IRAK4 or stabilizing the receptor complex. Upon IL33-induced lung inflammation, positively regulates expression of IL6, CSF3, CXCL2 and CCL5 mRNAs in dendritic cells.

AlphaFold DB , UniProt , Accession A0A096NP69, Species PAPAN (Papio anubis, Olive baboon), Gene IRAK3, Length 596 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	33.9	Very low	42	Very low	247 Å²	247	113 Å²	113	100%	1.217	76%	0.759	S	S	*	*				0	141	0	-68.4	168.7	173	0	0	107.7
2	A	36.3	Very low	44.9	Very low	111 Å²	111	108.3 Å²	108.3	92%	0.917	73%	0.729	S	S	*	*			trans	-85.2	145.1	170	0	0	0	0	0	109.5
3	G	27.5	Very low	47.2	Very low	73 Å²	73	103.8 Å²	103.8	75%	0.753	70%	0.704	S	S	*	*			trans	-151.2	112.8	-179.2	0	0	0	0	0	111.7
4	N	25.8	Very low	49.3	Very low	164 Å²	164	107.9 Å²	107.9	88%	0.877	71%	0.707	S	S	*	*			trans	34.9	93.4	169.1	-68.1	-0.6	0	0	0	118.2	G6	N4-G6 PolarHBondContact O-N 3.12Å
5	C	32.8	Very low	51.6	Low	139 Å²	139	103.1 Å²	103.1	94%	0.939	68%	0.675	S	S	*	*			trans	-66	97.9	147	-62.8	0	0	0	0	108.8
6	G	31.3	Very low	53.9	Low	64 Å²	64	99.3 Å²	99.3	66%	0.66	65%	0.646	S	S	*	*			trans	-60.7	144	168.5	0	0	0	0	0	111	N4 R8	N4-G6 PolarHBondContact O-N 3.12Å; G6-R8 PolarHBondContact O-N 3.02Å
7	A	38.3	Very low	55.7	Low	104 Å²	104	93.9 Å²	93.9	86%	0.86	61%	0.611	S	S	*	*			trans	-61	132.9	178.7	0	0	0	0	0	110.7	G9	A7-G9 PolarHBondContact O-N 3.42Å
8	R	49.7	Very low	57.2	Low	149 Å²	149	95.1 Å²	95.1	56%	0.562	61%	0.605	S	S	*	*			trans	-70.7	99.7	175.1	-69.1	-170.6	-175.1	-155.6	4.4	109.3	G6	G6-R8 PolarHBondContact O-N 3.02Å
9	G	52	Low	58.5	Low	54 Å²	54	94.8 Å²	94.8	56%	0.557	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-59.9	140.4	168.4	0	0	0	0	0	111.1	A7	A7-G9 PolarHBondContact O-N 3.42Å
10	A	60.4	Low	59.6	Low	93 Å²	93	90.5 Å²	90.5	77%	0.769	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-67.9	139.2	172.2	0	0	0	0	0	110
11	L	73.8	Confident	60.8	Low	45 Å²	45	87.8 Å²	87.8	24%	0.236	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-81.6	133.2	-178.1	-64.6	170.1	0	0	0	110.8	L20 P21 L24 I83 H105	L11-L20 HydrophobicContact CD1-CD1 4.24Å; L11-P21 HydrophobicContact CD2-CG 4.05Å; L11-L24 HydrophobicContact CD1-CD2 3.31Å; L11-I83 HydrophobicContact CB-CD1 4.11Å; L11-I83 HydrophobicContact CD1-CD1 4.1Å; L11-I83 HydrophobicContact CD2-CD1 4.03Å; L11-I83 HydrophobicContact CG-CD1 4.3Å; L11-H105 HydrophobicContact CD1-CB 3.93Å
12	S	76.5	Confident	63.1	Low	57 Å²	57	81.5 Å²	81.5	40%	0.399	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-86.1	147.4	173.9	-179.3	0	0	0	0	110.3	H14 T15	S12-H14 PolarHBondContact O-N 3.38Å; S12-H14 PolarHBondContact OG-N 3.25Å; S12-T15 PolarHBondContact N-OG1 3.05Å; S12-T15 VanDerWaalsContact O-CB 3.29Å; S12-T15 WeakPolarHBondContact O-CB 3.45Å; S12-T15 PolarHBondContact O-N 3.29Å; S12-T15 PolarHBondContact O-OG1 3.28Å
13	A	74.8	Confident	65.2	Low	50 Å²	50	79 Å²	79	41%	0.413	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.6	170.8	0	0	0	0	0	112.3	T82 G84	A13-T82 WeakPolarHBondContact O-CB 3.47Å; A13-T82 PolarHBondContact O-OG1 3.01Å; A13-G84 WeakPolarHBondContact O-CA 3.47Å; A13-G84 PolarHBondContact O-N 3.2Å
14	H	77.4	Confident	68	Low	160 Å²	160	75.5 Å²	75.5	74%	0.741	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.6	177.5	-55.4	-66.3	0	0	0	114.1	S12	S12-H14 PolarHBondContact O-N 3.38Å; S12-H14 PolarHBondContact OG-N 3.25Å
15	T	83.9	Confident	70.9	Confident	37 Å²	37	69.5 Å²	69.5	23%	0.227	44%	0.443	C	S	.	.	S	Bend	trans	-61.7	137	174.2	-62.6	0	0	0	0	109.6	S12 D19 T82 I83	S12-T15 PolarHBondContact N-OG1 3.05Å; S12-T15 VanDerWaalsContact O-CB 3.29Å; S12-T15 WeakPolarHBondContact O-CB 3.45Å; S12-T15 PolarHBondContact O-N 3.29Å; S12-T15 PolarHBondContact O-OG1 3.28Å; T15-D19 HydrophobicContact CG2-CB 3.75Å; T15-T82 CarbonylContact O-C 3.51Å; T15-T82 WeakPolarHBondContact O-CA 3.35Å; T15-I83 HydrophobicContact CG2-CD1 3.74Å; T15-I83 HydrophobicContact CG2-CG1 4.39Å; T15-I83 PolarHBondContact O-N 3.07Å
16	L	87.3	Confident	73.4	Confident	41 Å²	41	64.8 Å²	64.8	22%	0.215	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-77.2	147.3	-178.7	-71	159.3	0	0	0	110.3	F18 D19 T82	L16-F18 HydrophobicContact CB-CD1 3.9Å; L16-F18 HydrophobicContact CB-CE1 3.54Å; L16-F18 HydrophobicContact CB-CE2 4.3Å; L16-F18 HydrophobicContact CB-CG 4.43Å; L16-F18 HydrophobicContact CB-CZ 3.75Å; L16-F18 HydrophobicContact CD1-CE1 3.64Å; L16-F18 HydrophobicContact CD1-CZ 3.54Å; L16-F18 HydrophobicContact CG-CE1 4.07Å; L16-F18 HydrophobicContact CG-CZ 4.25Å; L16-F18 PolarHBondContact O-N 3.38Å; L16-F18 VanDerWaalsContact O-N 3.13Å; L16-D19 WeakPolarHBondContact O-CB 3.48Å; L16-D19 PolarHBondContact O-N 3.26Å; L16-T82 HydrophobicContact CD2-CG2 4.27Å
17	L	85.2	Confident	76	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.042	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-66.7	-17.8	-171.7	-177.2	60.3	0	0	0	113.3	L20 L73 W76 A77 K81 L86	L17-L20 HydrophobicContact CD1-CD2 4.04Å; L17-L20 WeakPolarHBondContact O-CB 3.29Å; L17-L73 HydrophobicContact CD2-CB 4.38Å; L17-L73 HydrophobicContact CD2-CD2 4.08Å; L17-W76 HydrophobicContact CD2-CE3 3.55Å; L17-W76 HydrophobicContact CD2-CZ3 4.16Å; L17-A77 HydrophobicContact CB-CB 3.9Å; L17-A77 HydrophobicContact CD2-CB 4.14Å; L17-A77 HydrophobicContact CG-CB 3.99Å; L17-K81 WeakPolarHBondContact CB-O 3.32Å; L17-K81 PolarHBondContact N-O 2.94Å; L17-L86 HydrophobicContact CD1-CD2 3.72Å
18	F	82.8	Confident	78.4	Confident	115 Å²	115	60.7 Å²	60.7	50%	0.504	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-75.4	-23.1	171.9	62.1	-108.3	0	0	0	113.5	L16 L20 A77	L16-F18 HydrophobicContact CB-CD1 3.9Å; L16-F18 HydrophobicContact CB-CE1 3.54Å; L16-F18 HydrophobicContact CB-CE2 4.3Å; L16-F18 HydrophobicContact CB-CG 4.43Å; L16-F18 HydrophobicContact CB-CZ 3.75Å; L16-F18 HydrophobicContact CD1-CE1 3.64Å; L16-F18 HydrophobicContact CD1-CZ 3.54Å; L16-F18 HydrophobicContact CG-CE1 4.07Å; L16-F18 HydrophobicContact CG-CZ 4.25Å; L16-F18 PolarHBondContact O-N 3.38Å; L16-F18 VanDerWaalsContact O-N 3.13Å; F18-L20 PolarHBondContact O-N 3.34Å; F18-A77 HydrophobicContact CB-CB 4.4Å
19	D	81	Confident	80.3	Confident	90 Å²	90	54 Å²	54	48%	0.481	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-81.9	3.5	176.2	-64	-49.9	0	0	0	112.6	T15 L16 P21	T15-D19 HydrophobicContact CG2-CB 3.75Å; L16-D19 WeakPolarHBondContact O-CB 3.48Å; L16-D19 PolarHBondContact O-N 3.26Å; D19-P21 WeakPolarHBondContact O-CD 3.46Å
20	L	81.5	Confident	82	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.042	34%	0.339	C	S	.	.	S	Bend	trans	-63.5	121.1	-177.2	-167.3	71.9	0	0	0	110.4	L11 L17 F18 L24 L25 L28 I83	L11-L20 HydrophobicContact CD1-CD1 4.24Å; L17-L20 HydrophobicContact CD1-CD2 4.04Å; L17-L20 WeakPolarHBondContact O-CB 3.29Å; F18-L20 PolarHBondContact O-N 3.34Å; L20-L24 HydrophobicContact CD1-CD2 3.69Å; L20-L24 HydrophobicContact CD1-CG 4.36Å; L20-L24 HydrophobicContact CG-CD2 4.36Å; L20-L25 HydrophobicContact CD2-CB 4.12Å; L20-L25 HydrophobicContact CD2-CD1 4.08Å; L20-L28 HydrophobicContact CD2-CD1 3.91Å; L20-I83 HydrophobicContact CD1-CD1 3.6Å; L20-I83 HydrophobicContact CD1-CG1 4.12Å
21	P	84.8	Confident	83.3	Confident	34 Å²	34	50.6 Å²	50.6	22%	0.221	31%	0.305	C	S	.	.			trans	-54.7	131.1	-173.6	-30.4	36.6	0	0	0	112.5	L11 D19 A23 L24 L25	L11-P21 HydrophobicContact CD2-CG 4.05Å; D19-P21 WeakPolarHBondContact O-CD 3.46Å; P21-A23 PolarHBondContact O-N 3.33Å; P21-L24 HydrophobicContact CB-CB 4.4Å; P21-L24 PolarHBondContact O-N 3.15Å; P21-L25 PolarHBondContact O-N 3.25Å
22	P	81.8	Confident	84	Confident	115 Å²	115	48.5 Å²	48.5	75%	0.747	29%	0.294	S	S	*	.	H	α-helix	trans	-55.7	-29.7	-172.9	-30.9	36.1	0	0	0	115.4	G26	P22-G26 PolarHBondContact O-N 3.1Å
23	A	80.8	Confident	84.6	Confident	58 Å²	58	48.3 Å²	48.3	48%	0.479	29%	0.288	S	S	.	.	H	α-helix	trans	-66.8	-47.8	173.4	0	0	0	0	0	112.1	P21 G26 E27	P21-A23 PolarHBondContact O-N 3.33Å; A23-G26 PolarHBondContact O-N 3.46Å; A23-E27 WeakPolarHBondContact O-CG 3.34Å; A23-E27 PolarHBondContact O-N 2.88Å
24	L	85.3	Confident	85.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-40.3	176.7	177.1	62.2	0	0	0	111.7	L11 L20 P21 G26 E27 L28 L101 I102 H105	L11-L24 HydrophobicContact CD1-CD2 3.31Å; L20-L24 HydrophobicContact CD1-CD2 3.69Å; L20-L24 HydrophobicContact CD1-CG 4.36Å; L20-L24 HydrophobicContact CG-CD2 4.36Å; P21-L24 HydrophobicContact CB-CB 4.4Å; P21-L24 PolarHBondContact O-N 3.15Å; L24-G26 VanDerWaalsContact C-N 3.29Å; L24-G26 PolarHBondContact O-N 3.38Å; L24-E27 PolarHBondContact O-N 2.67Å; L24-L28 HydrophobicContact CD1-CD1 4.03Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 3.85Å; L24-L28 HydrophobicContact CG-CG 4.4Å; L24-L28 WeakPolarHBondContact O-CB 3.29Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.38Å; L24-L28 PolarHBondContact O-N 3.47Å; L24-L101 HydrophobicContact CD1-CB 3.98Å; L24-L101 WeakPolarHBondContact CD1-O 3.42Å; L24-I102 HydrophobicContact CD2-CG1 4.38Å; L24-H105 HydrophobicContact CD2-CB 3.93Å
25	L	87.5	Confident	85.3	Confident	38 Å²	38	44.1 Å²	44.1	20%	0.199	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-42.9	172.6	178.6	61	0	0	0	110.8	L20 P21 L28 C29 L73	L20-L25 HydrophobicContact CD2-CB 4.12Å; L20-L25 HydrophobicContact CD2-CD1 4.08Å; P21-L25 PolarHBondContact O-N 3.25Å; L25-L28 PolarHBondContact O-N 3.43Å; L25-C29 WeakPolarHBondContact O-CB 3.5Å; L25-C29 PolarHBondContact O-N 3.33Å; L25-C29 PolarHBondContact O-SG 2.69Å; L25-L73 HydrophobicContact CD1-CD1 3.89Å
26	G	85.3	Confident	84.9	Confident	39 Å²	39	49.8 Å²	49.8	40%	0.402	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-47	174.2	0	0	0	0	0	113.4	P22 A23 L24 C29 A30	P22-G26 PolarHBondContact O-N 3.1Å; A23-G26 PolarHBondContact O-N 3.46Å; L24-G26 VanDerWaalsContact C-N 3.29Å; L24-G26 PolarHBondContact O-N 3.38Å; G26-C29 PolarHBondContact O-N 2.8Å; G26-A30 VanDerWaalsContact O-CB 3.32Å; G26-A30 WeakPolarHBondContact O-CB 3.31Å; G26-A30 PolarHBondContact O-N 3.32Å
27	E	86.2	Confident	84.4	Confident	81 Å²	81	49.8 Å²	49.8	38%	0.379	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-39.3	176.9	-71.3	174.1	-152.6	0	0	112.2	A23 L24 V31 L101	A23-E27 WeakPolarHBondContact O-CG 3.34Å; A23-E27 PolarHBondContact O-N 2.88Å; L24-E27 PolarHBondContact O-N 2.67Å; E27-V31 WeakPolarHBondContact O-CG2 3.38Å; E27-V31 PolarHBondContact O-N 3.18Å; E27-L101 HydrophobicContact CB-CD1 4.28Å
28	L	88.6	Confident	84.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-44.2	176.9	-75.2	165.6	0	0	0	112.6	L20 L24 L25 V31 L32 A98 L101 I102	L20-L28 HydrophobicContact CD2-CD1 3.91Å; L24-L28 HydrophobicContact CD1-CD1 4.03Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 3.85Å; L24-L28 HydrophobicContact CG-CG 4.4Å; L24-L28 WeakPolarHBondContact O-CB 3.29Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.38Å; L24-L28 PolarHBondContact O-N 3.47Å; L25-L28 PolarHBondContact O-N 3.43Å; L28-V31 PolarHBondContact O-N 2.89Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 PolarHBondContact O-N 3.42Å; L28-A98 HydrophobicContact CD2-CB 3.7Å; L28-L101 HydrophobicContact CD2-CB 4.39Å; L28-L101 HydrophobicContact CD2-CD1 4.47Å; L28-I102 HydrophobicContact CD1-CD1 4.01Å; L28-I102 HydrophobicContact CD1-CG1 3.79Å; L28-I102 HydrophobicContact CD2-CD1 4.11Å; L28-I102 HydrophobicContact CD2-CG1 4.07Å; L28-I102 HydrophobicContact CG-CG1 4.47Å
29	C	90.2	Very high	84	Confident	10 Å²	10	51 Å²	51	7%	0.068	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-48.6	173.6	-70.8	0	0	0	0	110.9	L25 G26 V31 L32 D33 S67	L25-C29 WeakPolarHBondContact O-CB 3.5Å; L25-C29 PolarHBondContact O-N 3.33Å; L25-C29 PolarHBondContact O-SG 2.69Å; G26-C29 PolarHBondContact O-N 2.8Å; C29-V31 PolarHBondContact O-N 3.46Å; C29-L32 PolarHBondContact O-N 3.21Å; C29-D33 VanDerWaalsContact O-CB 3.25Å; C29-D33 WeakPolarHBondContact O-CB 3.38Å; C29-D33 VanDerWaalsContact O-CG 3.28Å; C29-D33 PolarHBondContact O-N 2.93Å; C29-S67 WeakPolarHBondContact CB-OG 3.33Å; C29-S67 PolarHBondContact SG-OG 2.74Å
30	A	86.9	Confident	84.1	Confident	67 Å²	67	46.7 Å²	46.7	55%	0.554	31%	0.31	S	S	*	.	H	α-helix	trans	-59	-31.8	177.3	0	0	0	0	0	113	G26 S34	G26-A30 VanDerWaalsContact O-CB 3.32Å; G26-A30 WeakPolarHBondContact O-CB 3.31Å; G26-A30 PolarHBondContact O-N 3.32Å; A30-S34 WeakPolarHBondContact O-CB 3.44Å; A30-S34 PolarHBondContact O-OG 3.05Å; A30-S34 VanDerWaalsContact O-OG 3.13Å
31	V	88.3	Confident	84.4	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-75.4	-54.5	174.2	165.5	0	0	0	0	111.6	E27 L28 C29 S34 H95 R97 L101	E27-V31 WeakPolarHBondContact O-CG2 3.38Å; E27-V31 PolarHBondContact O-N 3.18Å; L28-V31 PolarHBondContact O-N 2.89Å; C29-V31 PolarHBondContact O-N 3.46Å; V31-S34 PolarHBondContact O-N 3.08Å; V31-S34 PolarHBondContact O-OG 3.17Å; V31-H95 WeakPolarHBondContact CG1-CE1 3.48Å; V31-R97 HydrophobicContact CG1-CG 4.38Å; V31-R97 HydrophobicContact CG2-CG 4.5Å; V31-L101 HydrophobicContact CG2-CD1 3.9Å
32	L	87.9	Confident	84.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-75.5	-27.1	-171.6	-72.7	159.2	0	0	0	113.8	L28 C29 S34 G40 W41 L44 T69 L90	L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 PolarHBondContact O-N 3.42Å; C29-L32 PolarHBondContact O-N 3.21Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-G40 CarbonylContact O-C 3.54Å; L32-G40 WeakPolarHBondContact O-CA 3.49Å; L32-W41 PolarHBondContact O-N 3.41Å; L32-L44 HydrophobicContact CD1-CD2 4.41Å; L32-T69 HydrophobicContact CB-CG2 3.88Å; L32-T69 VanDerWaalsContact CB-OG1 3.23Å; L32-T69 WeakPolarHBondContact CB-OG1 3.44Å; L32-T69 HydrophobicContact CD1-CG2 3.75Å; L32-T69 HydrophobicContact CG-CG2 4.46Å; L32-L90 HydrophobicContact CD1-CD2 4.13Å; L32-L90 HydrophobicContact CD2-CD2 4.06Å
33	D	88.6	Confident	84.6	Confident	53 Å²	53	45.3 Å²	45.3	28%	0.283	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.6	171.1	-60.1	-36.1	0	0	0	112.5	C29 W41 S67 G68 T69	C29-D33 VanDerWaalsContact O-CB 3.25Å; C29-D33 WeakPolarHBondContact O-CB 3.38Å; C29-D33 VanDerWaalsContact O-CG 3.28Å; C29-D33 PolarHBondContact O-N 2.93Å; D33-W41 WeakPolarHBondContact OD1-CB 3.49Å; D33-S67 WeakPolarHBondContact OD2-CA 3.36Å; D33-S67 WeakPolarHBondContact OD2-CB 3.42Å; D33-S67 PolarHBondContact OD2-OG 3.41Å; D33-G68 PolarHBondContact OD1-N 2.87Å; D33-T69 WeakPolarHBondContact OD1-CB 3.21Å; D33-T69 PolarHBondContact OD1-N 3.3Å; D33-T69 PolarHBondContact OD1-OG1 2.93Å
34	S	85.7	Confident	84.9	Confident	82 Å²	82	42.5 Å²	42.5	57%	0.573	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.3	175	76.3	0	0	0	0	114.3	A30 V31 L32	A30-S34 WeakPolarHBondContact O-CB 3.44Å; A30-S34 PolarHBondContact O-OG 3.05Å; A30-S34 VanDerWaalsContact O-OG 3.13Å; V31-S34 PolarHBondContact O-N 3.08Å; V31-S34 PolarHBondContact O-OG 3.17Å; L32-S34 VanDerWaalsContact C-N 3.33Å
35	C	81.8	Confident	84.9	Confident	40 Å²	40	42.5 Å²	42.5	27%	0.27	26%	0.262	S	S	.	.	S	Bend	trans	-108.8	140.7	178.9	-70.3	0	0	0	0	110.8	L39 G40	C35-L39 HydrophobicContact CB-CB 4.28Å; C35-G40 WeakPolarHBondContact O-CA 3.34Å
36	D	74.8	Confident	84.8	Confident	156 Å²	156	46 Å²	46	83%	0.834	28%	0.277	S	S	*	.			trans	-93.2	158.8	178.4	-78.6	-54.2	0	0	0	113	A38 G40	D36-A38 PolarHBondContact O-N 3.31Å; D36-G40 PolarHBondContact O-N 3.48Å
37	G	78.1	Confident	84.6	Confident	41 Å²	41	49.1 Å²	49.1	42%	0.423	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	59.3	-134.1	171.8	0	0	0	0	0	114.1	L39 G40 G43	G37-L39 PolarHBondContact O-N 3.27Å; G37-G40 PolarHBondContact O-N 3.18Å; G37-G43 PolarHBondContact O-N 3.44Å; G37-G43 VanDerWaalsContact O-N 3.16Å
38	A	77.8	Confident	84.5	Confident	63 Å²	63	45.8 Å²	45.8	52%	0.521	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-69.1	-14.4	-171.6	0	0	0	0	0	115	D36 M93	D36-A38 PolarHBondContact O-N 3.31Å; A38-M93 WeakPolarHBondContact O-CE 3.29Å
39	L	80.4	Confident	84	Confident	85 Å²	85	47 Å²	47	45%	0.445	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-96.5	-16.5	172.1	-68.1	176.4	0	0	0	112.6	C35 G37 M93 H95	C35-L39 HydrophobicContact CB-CB 4.28Å; G37-L39 PolarHBondContact O-N 3.27Å; L39-M93 WeakPolarHBondContact CD2-O 3.35Å; L39-H95 PolarHBondContact O-CD2 3.4Å; L39-H95 VanDerWaalsContact O-CD2 3.23Å
40	G	84.8	Confident	82.9	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.01	30%	0.3	C	S	.	.	S	Bend	trans	-78.6	179.8	179.5	0	0	0	0	0	114.4	L32 C35 D36 G37 R42 G43 L44	L32-G40 CarbonylContact O-C 3.54Å; L32-G40 WeakPolarHBondContact O-CA 3.49Å; C35-G40 WeakPolarHBondContact O-CA 3.34Å; D36-G40 PolarHBondContact O-N 3.48Å; G37-G40 PolarHBondContact O-N 3.18Å; G40-R42 PolarHBondContact O-N 2.97Å; G40-G43 PolarHBondContact O-N 3.02Å; G40-L44 PolarHBondContact O-N 3.32Å; G40-L44 VanDerWaalsContact O-N 3.08Å
41	W	87.9	Confident	82.5	Confident	20 Å²	20	50.1 Å²	50.1	8%	0.076	29%	0.288	C	S	.	.	H	α-helix	trans	-51.4	-28.6	170	79.2	-97.2	0	0	0	112.9	L32 D33 L44 A45 I58 E59 V62 T69 L72	L32-W41 PolarHBondContact O-N 3.41Å; D33-W41 WeakPolarHBondContact OD1-CB 3.49Å; W41-L44 WeakPolarHBondContact O-CB 3.36Å; W41-L44 PolarHBondContact O-N 2.91Å; W41-A45 WeakPolarHBondContact O-CB 3.37Å; W41-A45 PolarHBondContact O-N 2.89Å; W41-I58 HydrophobicContact CE3-CG2 4.12Å; W41-I58 HydrophobicContact CH2-CG2 4.26Å; W41-I58 HydrophobicContact CZ3-CB 4.26Å; W41-I58 HydrophobicContact CZ3-CG2 3.62Å; W41-E59 HydrophobicContact CH2-CB 4.4Å; W41-E59 HydrophobicContact CH2-CG 3.7Å; W41-E59 HydrophobicContact CZ2-CG 4.43Å; W41-V62 HydrophobicContact CD2-CG2 4.45Å; W41-V62 HydrophobicContact CH2-CG2 4.06Å; W41-V62 HydrophobicContact CZ2-CB 4.09Å; W41-V62 HydrophobicContact CZ2-CG1 4.19Å; W41-V62 HydrophobicContact CZ2-CG2 3.67Å; W41-T69 VanDerWaalsContact CB-OG1 3.29Å; W41-T69 WeakPolarHBondContact CB-OG1 3.49Å; W41-L72 HydrophobicContact CB-CD1 4.46Å; W41-L72 HydrophobicContact CE3-CD1 3.95Å; W41-L72 WeakPolarHBondContact O-CD1 3.19Å
42	R	86.5	Confident	81.7	Confident	107 Å²	107	58.2 Å²	58.2	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-67.6	-47.3	174.5	-69.5	178.8	166.6	-82.6	-0.2	112.7	G40 L44 A45 E46 E59	G40-R42 PolarHBondContact O-N 2.97Å; R42-L44 PolarHBondContact O-N 3.22Å; R42-A45 WeakPolarHBondContact O-CA 3.49Å; R42-A45 VanDerWaalsContact O-CB 3.25Å; R42-A45 WeakPolarHBondContact O-CB 3.46Å; R42-A45 PolarHBondContact O-N 2.92Å; R42-E46 PolarHBondContact O-N 2.77Å; R42-E46 VanDerWaalsContact O-N 3.1Å; R42-E59 IonicContact CZ-OE1 2.74Å; R42-E59 IonicContact NH1-OE1 3.85Å; R42-E59 PolarHBondContact NH1-OE1 2.86Å; R42-E59 IonicContact NH2-OE1 2.63Å; R42-E59 PolarHBondContact NH2-OE1 3.26Å
43	G	84.5	Confident	80.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.6	-28.2	173.4	0	0	0	0	0	113.3	G37 G40 R47	G37-G43 PolarHBondContact O-N 3.44Å; G37-G43 VanDerWaalsContact O-N 3.16Å; G40-G43 PolarHBondContact O-N 3.02Å; G43-R47 PolarHBondContact O-NH1 3.17Å
44	L	86.3	Confident	80.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-68.6	-45	168	-171.4	67.3	0	0	0	110.7	L32 G40 W41 R42 E46 R47 L48 T69 L72 L73 V89 M93	L32-L44 HydrophobicContact CD1-CD2 4.41Å; G40-L44 PolarHBondContact O-N 3.32Å; G40-L44 VanDerWaalsContact O-N 3.08Å; W41-L44 WeakPolarHBondContact O-CB 3.36Å; W41-L44 PolarHBondContact O-N 2.91Å; R42-L44 PolarHBondContact O-N 3.22Å; L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 2.96Å; L44-R47 PolarHBondContact O-N 2.89Å; L44-L48 HydrophobicContact CD1-CD1 3.82Å; L44-L48 HydrophobicContact CD1-CD2 4.19Å; L44-L48 HydrophobicContact CD1-CG 3.87Å; L44-L48 HydrophobicContact CD2-CD1 4.09Å; L44-L48 HydrophobicContact CG-CD1 3.68Å; L44-L48 HydrophobicContact CG-CG 3.9Å; L44-L48 WeakPolarHBondContact O-CG 3.34Å; L44-L48 PolarHBondContact O-N 3.36Å; L44-T69 HydrophobicContact CD2-CG2 4.25Å; L44-L72 HydrophobicContact CB-CD1 4.25Å; L44-L72 HydrophobicContact CD2-CD1 4.22Å; L44-L72 HydrophobicContact CG-CD1 4.31Å; L44-L73 HydrophobicContact CD2-CD2 4.23Å; L44-V89 HydrophobicContact CD1-CG1 3.84Å; L44-M93 HydrophobicContact CB-CE 4.03Å; L44-M93 HydrophobicContact CB-SD 4.03Å; L44-M93 HydrophobicContact CD1-SD 3.71Å
45	A	85.9	Confident	80	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-55.1	-44.3	178.9	0	0	0	0	0	112.6	W41 R42 R47 L48 S49 V55 L72	W41-A45 WeakPolarHBondContact O-CB 3.37Å; W41-A45 PolarHBondContact O-N 2.89Å; R42-A45 WeakPolarHBondContact O-CA 3.49Å; R42-A45 VanDerWaalsContact O-CB 3.25Å; R42-A45 WeakPolarHBondContact O-CB 3.46Å; R42-A45 PolarHBondContact O-N 2.92Å; A45-R47 PolarHBondContact O-N 3.22Å; A45-L48 PolarHBondContact O-N 3.4Å; A45-S49 WeakPolarHBondContact O-CB 3.5Å; A45-S49 PolarHBondContact O-N 3.06Å; A45-S49 PolarHBondContact O-OG 3.39Å; A45-V55 HydrophobicContact CB-CG1 4.04Å; A45-V55 HydrophobicContact CB-CG2 4.07Å; A45-L72 HydrophobicContact CB-CD1 3.86Å; A45-L72 HydrophobicContact CB-CD2 3.93Å; A45-L72 HydrophobicContact CB-CG 4.49Å
46	E	84.1	Confident	79.9	Confident	111 Å²	111	64.4 Å²	64.4	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-57.3	-28.5	176.8	-69.1	173.2	162.5	0	0	113.8	R42 L44 W52	R42-E46 PolarHBondContact O-N 2.77Å; R42-E46 VanDerWaalsContact O-N 3.1Å; L44-E46 VanDerWaalsContact C-N 3.32Å; L44-E46 PolarHBondContact O-N 2.96Å; E46-W52 HydrophobicContact CG-CH2 4.39Å
47	R	82.6	Confident	80.2	Confident	105 Å²	105	62.7 Å²	62.7	40%	0.396	32%	0.318	S	S	.	.	H	α-helix	trans	-97.9	-31.5	-176.5	-68.7	163.4	178.9	67.1	4.8	112.7	G43 L44 A45 V89	G43-R47 PolarHBondContact O-NH1 3.17Å; L44-R47 PolarHBondContact O-N 2.89Å; A45-R47 PolarHBondContact O-N 3.22Å; R47-V89 HydrophobicContact CB-CG1 3.85Å
48	L	82.5	Confident	80.4	Confident	11 Å²	11	61.3 Å²	61.3	6%	0.058	30%	0.3	C	S	.	.	H	α-helix	trans	-91.5	-23.5	-178.2	-56.3	-162.5	0	0	0	114	L44 A45 L73 W76 V89	L44-L48 HydrophobicContact CD1-CD1 3.82Å; L44-L48 HydrophobicContact CD1-CD2 4.19Å; L44-L48 HydrophobicContact CD1-CG 3.87Å; L44-L48 HydrophobicContact CD2-CD1 4.09Å; L44-L48 HydrophobicContact CG-CD1 3.68Å; L44-L48 HydrophobicContact CG-CG 3.9Å; L44-L48 WeakPolarHBondContact O-CG 3.34Å; L44-L48 PolarHBondContact O-N 3.36Å; A45-L48 PolarHBondContact O-N 3.4Å; L48-L73 HydrophobicContact CD1-CD2 4.21Å; L48-W76 HydrophobicContact CB-CD2 4.44Å; L48-W76 HydrophobicContact CB-CG 4.18Å; L48-W76 HydrophobicContact CD1-CB 4.1Å; L48-W76 HydrophobicContact CD1-CD2 3.79Å; L48-W76 HydrophobicContact CD1-CE3 3.75Å; L48-W76 HydrophobicContact CD1-CG 3.95Å; L48-W76 HydrophobicContact CD1-CZ3 4.35Å; L48-W76 HydrophobicContact CD2-CD2 3.74Å; L48-W76 HydrophobicContact CD2-CE3 3.93Å; L48-W76 HydrophobicContact CD2-CG 4.36Å; L48-W76 HydrophobicContact CD2-CH2 3.72Å; L48-W76 HydrophobicContact CD2-CZ2 3.53Å; L48-W76 HydrophobicContact CD2-CZ3 3.93Å; L48-W76 HydrophobicContact CG-CD2 4.18Å; L48-W76 HydrophobicContact CG-CE3 4.44Å; L48-W76 HydrophobicContact CG-CG 4.38Å; L48-V89 HydrophobicContact CD2-CB 4.3Å; L48-V89 HydrophobicContact CD2-CG1 3.84Å; L48-V89 HydrophobicContact CD2-CG2 3.94Å
49	S	78.3	Confident	80.7	Confident	27 Å²	27	60.7 Å²	60.7	19%	0.189	29%	0.287	C	S	.	.			trans	-96.8	125.6	-170.4	-47.6	0	0	0	0	112.2	A45 S51	A45-S49 WeakPolarHBondContact O-CB 3.5Å; A45-S49 PolarHBondContact O-N 3.06Å; A45-S49 PolarHBondContact O-OG 3.39Å; S49-S51 PolarHBondContact O-N 3.04Å
50	S	68.3	Low	80.9	Confident	101 Å²	101	63.2 Å²	63.2	71%	0.706	29%	0.294	S	S	*	.	S	Bend	trans	-76.8	-4.5	174.4	37.5	0	0	0	0	113.9
51	S	76.9	Confident	80.7	Confident	42 Å²	42	67.6 Å²	67.6	29%	0.294	31%	0.311	S	S	.	.			trans	-154.7	138	-175.8	179.7	0	0	0	0	112.4	S49 L53 D54 V55	S49-S51 PolarHBondContact O-N 3.04Å; S51-L53 PolarHBondContact O-N 2.69Å; S51-L53 WeakPolarHBondContact OG-CB 3.32Å; S51-L53 PolarHBondContact OG-N 3.27Å; S51-L53 VanDerWaalsContact OG-N 3.12Å; S51-D54 WeakPolarHBondContact O-CB 3.38Å; S51-D54 PolarHBondContact O-N 3.38Å; S51-V55 PolarHBondContact O-N 3.41Å
52	W	71.3	Confident	80.6	Confident	176 Å²	176	68.8 Å²	68.8	67%	0.667	32%	0.32	S	S	*	.	H	α-helix	trans	-63.8	-14	169.3	-70.5	102.3	0	0	0	113.6	E46 V55 R56	E46-W52 HydrophobicContact CG-CH2 4.39Å; W52-V55 HydrophobicContact CE3-CG2 4.43Å; W52-R56 WeakPolarHBondContact O-CG 3.42Å; W52-R56 PolarHBondContact O-N 3.38Å; W52-R56 PolarHBondContact O-NE 3Å
53	L	72.9	Confident	80.4	Confident	96 Å²	96	70 Å²	70	50%	0.503	34%	0.335	S	S	.	.	H	α-helix	trans	-73.5	-33.4	169.6	-68.8	164.8	0	0	0	111.8	S51 R56 H57	S51-L53 PolarHBondContact O-N 2.69Å; S51-L53 WeakPolarHBondContact OG-CB 3.32Å; S51-L53 PolarHBondContact OG-N 3.27Å; S51-L53 VanDerWaalsContact OG-N 3.12Å; L53-R56 PolarHBondContact O-N 2.97Å; L53-H57 PolarHBondContact O-N 3.13Å; L53-H57 VanDerWaalsContact O-N 3.15Å; L53-H57 PolarHBondContact O-ND1 2.84Å
54	D	75	Confident	80.3	Confident	54 Å²	54	75.4 Å²	75.4	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-68.2	-45.5	178.9	-53	-19.9	0	0	0	109.3	S51 R56 H57 I58	S51-D54 WeakPolarHBondContact O-CB 3.38Å; S51-D54 PolarHBondContact O-N 3.38Å; D54-R56 PolarHBondContact O-N 2.82Å; D54-H57 PolarHBondContact O-N 2.86Å; D54-I58 WeakPolarHBondContact O-CG1 3.3Å; D54-I58 PolarHBondContact O-N 3.03Å; D54-I58 VanDerWaalsContact O-N 3.16Å
55	V	79.3	Confident	80.1	Confident	11 Å²	11	78.9 Å²	78.9	7%	0.067	40%	0.395	C	S	.	.	H	α-helix	trans	-56	-48.3	175.2	-173.2	0	0	0	0	111.2	A45 S51 W52 H57 I58 E59	A45-V55 HydrophobicContact CB-CG1 4.04Å; A45-V55 HydrophobicContact CB-CG2 4.07Å; S51-V55 PolarHBondContact O-N 3.41Å; W52-V55 HydrophobicContact CE3-CG2 4.43Å; V55-H57 VanDerWaalsContact C-N 3.32Å; V55-H57 PolarHBondContact O-N 3.16Å; V55-I58 PolarHBondContact O-N 3.34Å; V55-E59 PolarHBondContact O-N 3.31Å
56	R	78.9	Confident	80.1	Confident	145 Å²	145	83.2 Å²	83.2	55%	0.547	41%	0.414	S	S	.	.	H	α-helix	trans	-65.1	-29	178.8	-78.5	-172.7	-66.8	-133	3	114.5	W52 L53 D54 E59 K60	W52-R56 WeakPolarHBondContact O-CG 3.42Å; W52-R56 PolarHBondContact O-N 3.38Å; W52-R56 PolarHBondContact O-NE 3Å; L53-R56 PolarHBondContact O-N 2.97Å; D54-R56 PolarHBondContact O-N 2.82Å; R56-E59 WeakPolarHBondContact CA-OE2 3.39Å; R56-E59 VanDerWaalsContact CG-OE2 3.29Å; R56-E59 WeakPolarHBondContact CG-OE2 3.38Å; R56-K60 PolarHBondContact O-N 2.91Å
57	H	81.1	Confident	80.3	Confident	121 Å²	121	79.4 Å²	79.4	56%	0.56	40%	0.4	S	S	*	.	H	α-helix	trans	-70.4	-34.8	171.5	-75.9	100.8	0	0	0	111.8	L53 D54 V55 K60 Y61	L53-H57 PolarHBondContact O-N 3.13Å; L53-H57 VanDerWaalsContact O-N 3.15Å; L53-H57 PolarHBondContact O-ND1 2.84Å; D54-H57 PolarHBondContact O-N 2.86Å; V55-H57 VanDerWaalsContact C-N 3.32Å; V55-H57 PolarHBondContact O-N 3.16Å; H57-K60 PolarHBondContact O-N 3.29Å; H57-Y61 WeakPolarHBondContact O-CD2 3.41Å; H57-Y61 PolarHBondContact O-N 3.42Å
58	I	82.8	Confident	80.5	Confident	11 Å²	11	74.4 Å²	74.4	6%	0.056	38%	0.382	C	S	.	.	H	α-helix	trans	-76	-37.3	178.4	-62.4	172.9	0	0	0	111.2	W41 D54 V55 K60 Y61 V62 E71 L72	W41-I58 HydrophobicContact CE3-CG2 4.12Å; W41-I58 HydrophobicContact CH2-CG2 4.26Å; W41-I58 HydrophobicContact CZ3-CB 4.26Å; W41-I58 HydrophobicContact CZ3-CG2 3.62Å; D54-I58 WeakPolarHBondContact O-CG1 3.3Å; D54-I58 PolarHBondContact O-N 3.03Å; D54-I58 VanDerWaalsContact O-N 3.16Å; V55-I58 PolarHBondContact O-N 3.34Å; I58-K60 VanDerWaalsContact C-N 3.29Å; I58-K60 PolarHBondContact O-N 2.62Å; I58-Y61 WeakPolarHBondContact O-CA 3.27Å; I58-Y61 WeakPolarHBondContact O-CB 3.42Å; I58-Y61 PolarHBondContact O-N 2.94Å; I58-V62 PolarHBondContact O-N 3.04Å; I58-E71 HydrophobicContact CG1-CB 4.4Å; I58-E71 HydrophobicContact CG2-CB 4.28Å; I58-L72 HydrophobicContact CD1-CB 4.49Å; I58-L72 HydrophobicContact CD1-CD2 3.5Å; I58-L72 VanDerWaalsContact CD1-CD2 3.5Å; I58-L72 HydrophobicContact CD1-CG 3.76Å; I58-L72 HydrophobicContact CG2-CG 4.43Å
59	E	85.1	Confident	80.9	Confident	51 Å²	51	73.9 Å²	73.9	24%	0.238	38%	0.379	C	S	.	.	H	α-helix	trans	-50.1	-51.1	167.3	-72.4	-178.6	119.5	0	0	111	W41 R42 V55 R56 Y61 V62 D63	W41-E59 HydrophobicContact CH2-CB 4.4Å; W41-E59 HydrophobicContact CH2-CG 3.7Å; W41-E59 HydrophobicContact CZ2-CG 4.43Å; R42-E59 IonicContact CZ-OE1 2.74Å; R42-E59 IonicContact NH1-OE1 3.85Å; R42-E59 PolarHBondContact NH1-OE1 2.86Å; R42-E59 IonicContact NH2-OE1 2.63Å; R42-E59 PolarHBondContact NH2-OE1 3.26Å; V55-E59 PolarHBondContact O-N 3.31Å; R56-E59 WeakPolarHBondContact CA-OE2 3.39Å; R56-E59 VanDerWaalsContact CG-OE2 3.29Å; R56-E59 WeakPolarHBondContact CG-OE2 3.38Å; E59-Y61 PolarHBondContact O-N 3.02Å; E59-Y61 VanDerWaalsContact O-N 3.12Å; E59-V62 CarbonylContact O-C 3.56Å; E59-V62 WeakPolarHBondContact O-CA 3.47Å; E59-V62 WeakPolarHBondContact O-CB 3.48Å; E59-V62 PolarHBondContact O-N 3.44Å; E59-D63 VanDerWaalsContact O-CG 3.26Å; E59-D63 PolarHBondContact O-N 3.32Å
60	K	83.4	Confident	81.4	Confident	137 Å²	137	80.1 Å²	80.1	60%	0.596	40%	0.398	S	S	*	.	H	α-helix	trans	-60.1	-25.3	178.3	-171.6	177.8	177.8	-177.2	0	113.7	R56 H57 I58 Q64	R56-K60 PolarHBondContact O-N 2.91Å; H57-K60 PolarHBondContact O-N 3.29Å; I58-K60 VanDerWaalsContact C-N 3.29Å; I58-K60 PolarHBondContact O-N 2.62Å; K60-Q64 WeakPolarHBondContact O-CG 3.45Å; K60-Q64 PolarHBondContact O-NE2 3.42Å
61	Y	80.6	Confident	82.4	Confident	94 Å²	94	77.8 Å²	77.8	37%	0.369	38%	0.376	S	S	.	.	H	α-helix	trans	-81.9	-33.6	172.6	-75.6	-56.6	0	0	0	112.7	H57 I58 E59 D63 Q64 K66	H57-Y61 WeakPolarHBondContact O-CD2 3.41Å; H57-Y61 PolarHBondContact O-N 3.42Å; I58-Y61 WeakPolarHBondContact O-CA 3.27Å; I58-Y61 WeakPolarHBondContact O-CB 3.42Å; I58-Y61 PolarHBondContact O-N 2.94Å; E59-Y61 PolarHBondContact O-N 3.02Å; E59-Y61 VanDerWaalsContact O-N 3.12Å; Y61-D63 VanDerWaalsContact C-N 3.34Å; Y61-Q64 WeakPolarHBondContact O-CA 3.32Å; Y61-Q64 WeakPolarHBondContact O-CB 3.31Å; Y61-Q64 PolarHBondContact O-N 3.34Å; Y61-Q64 VanDerWaalsContact O-N 3.11Å; Y61-K66 HydrophobicContact CD1-CD 3.99Å; Y61-K66 HydrophobicContact CG-CD 4.37Å; Y61-K66 VanDerWaalsContact O-CB 3.29Å; Y61-K66 WeakPolarHBondContact O-CB 3.29Å; Y61-K66 PolarHBondContact O-N 3.1Å; Y61-K66 VanDerWaalsContact O-N 3.11Å
62	V	85.7	Confident	82.9	Confident	44 Å²	44	76 Å²	76	27%	0.267	36%	0.363	S	S	.	.	H	α-helix	trans	-66.2	-37.5	171.8	175.7	0	0	0	0	110.9	W41 I58 E59 Q64 G65 G68	W41-V62 HydrophobicContact CD2-CG2 4.45Å; W41-V62 HydrophobicContact CH2-CG2 4.06Å; W41-V62 HydrophobicContact CZ2-CB 4.09Å; W41-V62 HydrophobicContact CZ2-CG1 4.19Å; W41-V62 HydrophobicContact CZ2-CG2 3.67Å; I58-V62 PolarHBondContact O-N 3.04Å; E59-V62 CarbonylContact O-C 3.56Å; E59-V62 WeakPolarHBondContact O-CA 3.47Å; E59-V62 WeakPolarHBondContact O-CB 3.48Å; E59-V62 PolarHBondContact O-N 3.44Å; V62-Q64 PolarHBondContact O-N 2.9Å; V62-Q64 VanDerWaalsContact O-N 3.15Å; V62-G65 WeakPolarHBondContact O-CA 3.35Å; V62-G65 PolarHBondContact O-N 3.33Å; V62-G68 VanDerWaalsContact CG2-CA 3.4Å
63	D	82.9	Confident	83.8	Confident	132 Å²	132	67.8 Å²	67.8	71%	0.706	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.3	171.1	-61	-28.4	0	0	0	113	E59 Y61 G65	E59-D63 VanDerWaalsContact O-CG 3.26Å; E59-D63 PolarHBondContact O-N 3.32Å; Y61-D63 VanDerWaalsContact C-N 3.34Å; D63-G65 VanDerWaalsContact C-N 3.34Å
64	Q	82.1	Confident	84.4	Confident	115 Å²	115	71 Å²	71	54%	0.537	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	10.3	173.4	-65.7	164.3	54.5	0	0	112.8	K60 Y61 V62	K60-Q64 WeakPolarHBondContact O-CG 3.45Å; K60-Q64 PolarHBondContact O-NE2 3.42Å; Y61-Q64 WeakPolarHBondContact O-CA 3.32Å; Y61-Q64 WeakPolarHBondContact O-CB 3.31Å; Y61-Q64 PolarHBondContact O-N 3.34Å; Y61-Q64 VanDerWaalsContact O-N 3.11Å; V62-Q64 PolarHBondContact O-N 2.9Å; V62-Q64 VanDerWaalsContact O-N 3.15Å
65	G	82.6	Confident	84.8	Confident	72 Å²	72	70.6 Å²	70.6	74%	0.742	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	18.2	-179.2	0	0	0	0	0	114.9	V62 D63	V62-G65 WeakPolarHBondContact O-CA 3.35Å; V62-G65 PolarHBondContact O-N 3.33Å; D63-G65 VanDerWaalsContact C-N 3.34Å
66	K	84.7	Confident	85.1	Confident	91 Å²	91	71.1 Å²	71.1	40%	0.396	34%	0.34	S	S	.	.			trans	-89.4	159.1	175.2	-57.4	-168.2	-177.8	179.1	0	112.6	Y61 G68 E71	Y61-K66 HydrophobicContact CD1-CD 3.99Å; Y61-K66 HydrophobicContact CG-CD 4.37Å; Y61-K66 VanDerWaalsContact O-CB 3.29Å; Y61-K66 WeakPolarHBondContact O-CB 3.29Å; Y61-K66 PolarHBondContact O-N 3.1Å; Y61-K66 VanDerWaalsContact O-N 3.11Å; K66-G68 PolarHBondContact O-N 3Å; K66-E71 VanDerWaalsContact CD-OE1 3.26Å; K66-E71 WeakPolarHBondContact CD-OE1 3.48Å; K66-E71 IonicContact NZ-OE1 3.66Å; K66-E71 PolarHBondContact NZ-OE1 3.44Å
67	S	88.9	Confident	85.4	Confident	31 Å²	31	64.6 Å²	64.6	22%	0.217	32%	0.317	C	S	.	.			trans	-69.3	114.1	172.4	169.1	0	0	0	0	111.4	C29 D33 T69 R70 E71	C29-S67 WeakPolarHBondContact CB-OG 3.33Å; C29-S67 PolarHBondContact SG-OG 2.74Å; D33-S67 WeakPolarHBondContact OD2-CA 3.36Å; D33-S67 WeakPolarHBondContact OD2-CB 3.42Å; D33-S67 PolarHBondContact OD2-OG 3.41Å; S67-T69 VanDerWaalsContact C-N 3.34Å; S67-R70 PolarHBondContact O-N 3.21Å; S67-R70 VanDerWaalsContact OG-CB 3.24Å; S67-R70 WeakPolarHBondContact OG-CB 3.43Å; S67-R70 PolarHBondContact OG-N 3.42Å; S67-E71 PolarHBondContact O-N 2.92Å
68	G	87.3	Confident	85.4	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-39.3	176	0	0	0	0	0	111.7	D33 V62 K66 R70 E71 L72	D33-G68 PolarHBondContact OD1-N 2.87Å; V62-G68 VanDerWaalsContact CG2-CA 3.4Å; K66-G68 PolarHBondContact O-N 3Å; G68-R70 VanDerWaalsContact C-N 3.33Å; G68-R70 PolarHBondContact O-N 3.04Å; G68-E71 PolarHBondContact O-N 3.38Å; G68-L72 WeakPolarHBondContact O-CB 3.34Å; G68-L72 WeakPolarHBondContact O-CG 3.21Å; G68-L72 PolarHBondContact O-N 3.31Å
69	T	89.9	Confident	85.4	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.6	-42.7	172.9	-58.5	0	0	0	0	111.8	L32 D33 W41 L44 S67 L72 L73	L32-T69 HydrophobicContact CB-CG2 3.88Å; L32-T69 VanDerWaalsContact CB-OG1 3.23Å; L32-T69 WeakPolarHBondContact CB-OG1 3.44Å; L32-T69 HydrophobicContact CD1-CG2 3.75Å; L32-T69 HydrophobicContact CG-CG2 4.46Å; D33-T69 WeakPolarHBondContact OD1-CB 3.21Å; D33-T69 PolarHBondContact OD1-N 3.3Å; D33-T69 PolarHBondContact OD1-OG1 2.93Å; W41-T69 VanDerWaalsContact CB-OG1 3.29Å; W41-T69 WeakPolarHBondContact CB-OG1 3.49Å; L44-T69 HydrophobicContact CD2-CG2 4.25Å; S67-T69 VanDerWaalsContact C-N 3.34Å; T69-L72 PolarHBondContact O-N 2.88Å; T69-L73 HydrophobicContact CG2-CD1 3.75Å; T69-L73 HydrophobicContact CG2-CG 4.13Å; T69-L73 WeakPolarHBondContact O-CB 3.25Å; T69-L73 VanDerWaalsContact O-CG 3.3Å; T69-L73 WeakPolarHBondContact O-CG 3.2Å; T69-L73 PolarHBondContact O-N 2.94Å
70	R	90.2	Very high	85.1	Confident	157 Å²	157	70.1 Å²	70.1	59%	0.592	34%	0.344	S	S	*	.	H	α-helix	trans	-66.2	-46.6	-178.1	-170.4	172.9	-179.8	167.6	0.2	112	S67 G68 L72 L73 W74	S67-R70 PolarHBondContact O-N 3.21Å; S67-R70 VanDerWaalsContact OG-CB 3.24Å; S67-R70 WeakPolarHBondContact OG-CB 3.43Å; S67-R70 PolarHBondContact OG-N 3.42Å; G68-R70 VanDerWaalsContact C-N 3.33Å; G68-R70 PolarHBondContact O-N 3.04Å; R70-L72 VanDerWaalsContact C-N 3.32Å; R70-L72 PolarHBondContact O-N 2.91Å; R70-L73 PolarHBondContact O-N 3.48Å; R70-W74 WeakPolarHBondContact O-CB 3.49Å; R70-W74 PolarHBondContact O-N 3.06Å
71	E	88.9	Confident	85.3	Confident	52 Å²	52	66.6 Å²	66.6	24%	0.243	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-34.9	179.1	-57.8	-72.2	-171.9	0	0	110.9	I58 K66 S67 G68 S75	I58-E71 HydrophobicContact CG1-CB 4.4Å; I58-E71 HydrophobicContact CG2-CB 4.28Å; K66-E71 VanDerWaalsContact CD-OE1 3.26Å; K66-E71 WeakPolarHBondContact CD-OE1 3.48Å; K66-E71 IonicContact NZ-OE1 3.66Å; K66-E71 PolarHBondContact NZ-OE1 3.44Å; S67-E71 PolarHBondContact O-N 2.92Å; G68-E71 PolarHBondContact O-N 3.38Å; E71-S75 VanDerWaalsContact O-CB 3.24Å; E71-S75 WeakPolarHBondContact O-CB 3.3Å; E71-S75 PolarHBondContact O-N 2.8Å
72	L	88.3	Confident	85.7	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-55.9	170.6	-83.3	171.5	0	0	0	112.9	W41 L44 A45 I58 G68 T69 R70 W74 S75 W76	W41-L72 HydrophobicContact CB-CD1 4.46Å; W41-L72 HydrophobicContact CE3-CD1 3.95Å; W41-L72 WeakPolarHBondContact O-CD1 3.19Å; L44-L72 HydrophobicContact CB-CD1 4.25Å; L44-L72 HydrophobicContact CD2-CD1 4.22Å; L44-L72 HydrophobicContact CG-CD1 4.31Å; A45-L72 HydrophobicContact CB-CD1 3.86Å; A45-L72 HydrophobicContact CB-CD2 3.93Å; A45-L72 HydrophobicContact CB-CG 4.49Å; I58-L72 HydrophobicContact CD1-CB 4.49Å; I58-L72 HydrophobicContact CD1-CD2 3.5Å; I58-L72 VanDerWaalsContact CD1-CD2 3.5Å; I58-L72 HydrophobicContact CD1-CG 3.76Å; I58-L72 HydrophobicContact CG2-CG 4.43Å; G68-L72 WeakPolarHBondContact O-CB 3.34Å; G68-L72 WeakPolarHBondContact O-CG 3.21Å; G68-L72 PolarHBondContact O-N 3.31Å; T69-L72 PolarHBondContact O-N 2.88Å; R70-L72 VanDerWaalsContact C-N 3.32Å; R70-L72 PolarHBondContact O-N 2.91Å; L72-W74 PolarHBondContact O-N 3.21Å; L72-S75 PolarHBondContact O-N 3.35Å; L72-W76 WeakPolarHBondContact O-CB 3.48Å; L72-W76 PolarHBondContact O-N 3.31Å
73	L	88.5	Confident	85.7	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-33.7	-177.6	-67.6	178.6	0	0	0	111.1	L17 L25 L44 L48 T69 R70 W76 A77 L86	L17-L73 HydrophobicContact CD2-CB 4.38Å; L17-L73 HydrophobicContact CD2-CD2 4.08Å; L25-L73 HydrophobicContact CD1-CD1 3.89Å; L44-L73 HydrophobicContact CD2-CD2 4.23Å; L48-L73 HydrophobicContact CD1-CD2 4.21Å; T69-L73 HydrophobicContact CG2-CD1 3.75Å; T69-L73 HydrophobicContact CG2-CG 4.13Å; T69-L73 WeakPolarHBondContact O-CB 3.25Å; T69-L73 VanDerWaalsContact O-CG 3.3Å; T69-L73 WeakPolarHBondContact O-CG 3.2Å; T69-L73 PolarHBondContact O-N 2.94Å; R70-L73 PolarHBondContact O-N 3.48Å; L73-W76 PolarHBondContact O-N 3.27Å; L73-A77 WeakPolarHBondContact O-CB 3.43Å; L73-A77 PolarHBondContact O-N 3.15Å; L73-L86 HydrophobicContact CD2-CD1 3.66Å; L73-L86 HydrophobicContact CD2-CD2 4.11Å
74	W	85.8	Confident	85.8	Confident	163 Å²	163	56.4 Å²	56.4	62%	0.617	29%	0.285	S	S	*	.	H	α-helix	trans	-64.6	-50.5	172.1	-175.5	-109.2	0	0	0	112.4	R70 L72 W76 A77 Q78	R70-W74 WeakPolarHBondContact O-CB 3.49Å; R70-W74 PolarHBondContact O-N 3.06Å; L72-W74 PolarHBondContact O-N 3.21Å; W74-W76 PolarHBondContact O-N 2.89Å; W74-A77 PolarHBondContact O-N 3.23Å; W74-Q78 VanDerWaalsContact NE1-NE2 3.18Å; W74-Q78 WeakPolarHBondContact O-CG 3.37Å; W74-Q78 PolarHBondContact O-N 3.47Å
75	S	83.8	Confident	86.2	Confident	45 Å²	45	52.9 Å²	52.9	32%	0.315	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-31.7	176.1	-178.3	0	0	0	0	112.9	E71 L72	E71-S75 VanDerWaalsContact O-CB 3.24Å; E71-S75 WeakPolarHBondContact O-CB 3.3Å; E71-S75 PolarHBondContact O-N 2.8Å; L72-S75 PolarHBondContact O-N 3.35Å
76	W	85.9	Confident	86.5	Confident	23 Å²	23	49.5 Å²	49.5	9%	0.087	24%	0.235	C	C	.	.	H	α-helix	trans	-84.2	-34.8	178.8	-160.7	59.7	0	0	0	113	L17 L48 L72 L73 W74 Q78 K79 K81 D85 L86 V89	L17-W76 HydrophobicContact CD2-CE3 3.55Å; L17-W76 HydrophobicContact CD2-CZ3 4.16Å; L48-W76 HydrophobicContact CB-CD2 4.44Å; L48-W76 HydrophobicContact CB-CG 4.18Å; L48-W76 HydrophobicContact CD1-CB 4.1Å; L48-W76 HydrophobicContact CD1-CD2 3.79Å; L48-W76 HydrophobicContact CD1-CE3 3.75Å; L48-W76 HydrophobicContact CD1-CG 3.95Å; L48-W76 HydrophobicContact CD1-CZ3 4.35Å; L48-W76 HydrophobicContact CD2-CD2 3.74Å; L48-W76 HydrophobicContact CD2-CE3 3.93Å; L48-W76 HydrophobicContact CD2-CG 4.36Å; L48-W76 HydrophobicContact CD2-CH2 3.72Å; L48-W76 HydrophobicContact CD2-CZ2 3.53Å; L48-W76 HydrophobicContact CD2-CZ3 3.93Å; L48-W76 HydrophobicContact CG-CD2 4.18Å; L48-W76 HydrophobicContact CG-CE3 4.44Å; L48-W76 HydrophobicContact CG-CG 4.38Å; L72-W76 WeakPolarHBondContact O-CB 3.48Å; L72-W76 PolarHBondContact O-N 3.31Å; L73-W76 PolarHBondContact O-N 3.27Å; W74-W76 PolarHBondContact O-N 2.89Å; W76-Q78 VanDerWaalsContact C-N 3.27Å; W76-Q78 PolarHBondContact O-N 3.13Å; W76-K79 WeakPolarHBondContact O-CB 3.28Å; W76-K79 PolarHBondContact O-N 2.66Å; W76-K81 HydrophobicContact CD2-CB 3.96Å; W76-K81 HydrophobicContact CD2-CD 4.49Å; W76-K81 HydrophobicContact CD2-CG 3.84Å; W76-K81 HydrophobicContact CE3-CB 4.09Å; W76-K81 HydrophobicContact CE3-CG 4.43Å; W76-K81 HydrophobicContact CG-CB 4.49Å; W76-K81 HydrophobicContact CG-CG 4.2Å; W76-K81 HydrophobicContact CH2-CD 4.33Å; W76-K81 HydrophobicContact CZ2-CB 4.44Å; W76-K81 HydrophobicContact CZ2-CD 3.71Å; W76-K81 HydrophobicContact CZ2-CG 3.99Å; W76-K81 HydrophobicContact CZ3-CB 4.39Å; W76-D85 HydrophobicContact CH2-CB 3.55Å; W76-D85 HydrophobicContact CZ2-CB 4.07Å; W76-D85 HydrophobicContact CZ3-CB 4.25Å; W76-L86 HydrophobicContact CZ3-CB 3.93Å; W76-L86 HydrophobicContact CZ3-CD1 4.09Å; W76-V89 HydrophobicContact CH2-CG2 3.89Å; W76-V89 HydrophobicContact CZ2-CG2 4.19Å
77	A	84.4	Confident	86.6	Confident	7 Å²	7	46.9 Å²	46.9	6%	0.058	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-36.4	172.9	0	0	0	0	0	112.1	L17 F18 L73 W74 K79 N80	L17-A77 HydrophobicContact CB-CB 3.9Å; L17-A77 HydrophobicContact CD2-CB 4.14Å; L17-A77 HydrophobicContact CG-CB 3.99Å; F18-A77 HydrophobicContact CB-CB 4.4Å; L73-A77 WeakPolarHBondContact O-CB 3.43Å; L73-A77 PolarHBondContact O-N 3.15Å; W74-A77 PolarHBondContact O-N 3.23Å; A77-K79 PolarHBondContact O-N 2.95Å; A77-N80 PolarHBondContact O-N 3.04Å
78	Q	80.8	Confident	86.6	Confident	132 Å²	132	50.8 Å²	50.8	62%	0.617	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-11.2	172.6	-69.3	175.3	29.6	0	0	114.1	W74 W76 N80	W74-Q78 VanDerWaalsContact NE1-NE2 3.18Å; W74-Q78 WeakPolarHBondContact O-CG 3.37Å; W74-Q78 PolarHBondContact O-N 3.47Å; W76-Q78 VanDerWaalsContact C-N 3.27Å; W76-Q78 PolarHBondContact O-N 3.13Å; Q78-N80 VanDerWaalsContact C-N 3.33Å
79	K	83.5	Confident	86.7	Confident	93 Å²	93	51.4 Å²	51.4	40%	0.404	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	21.3	174	-53.2	179.8	-173	177.8	0	112.1	W76 A77 K81	W76-K79 WeakPolarHBondContact O-CB 3.28Å; W76-K79 PolarHBondContact O-N 2.66Å; A77-K79 PolarHBondContact O-N 2.95Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 HydrophobicContact CB-CG 4.41Å; K79-K81 PolarHBondContact O-N 3.09Å
80	N	79.2	Confident	86.7	Confident	74 Å²	74	51.4 Å²	51.4	40%	0.396	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	45.6	-176.5	-66.2	-7.6	0	0	0	113.2	A77 Q78	A77-N80 PolarHBondContact O-N 3.04Å; Q78-N80 VanDerWaalsContact C-N 3.33Å
81	K	86.8	Confident	86.6	Confident	64 Å²	64	50.8 Å²	50.8	28%	0.278	25%	0.248	S	C	.	.			trans	-88.3	147.5	179.5	-75	-74.5	176.1	-166.5	0	112.3	L17 W76 K79 D85	L17-K81 WeakPolarHBondContact CB-O 3.32Å; L17-K81 PolarHBondContact N-O 2.94Å; W76-K81 HydrophobicContact CD2-CB 3.96Å; W76-K81 HydrophobicContact CD2-CD 4.49Å; W76-K81 HydrophobicContact CD2-CG 3.84Å; W76-K81 HydrophobicContact CE3-CB 4.09Å; W76-K81 HydrophobicContact CE3-CG 4.43Å; W76-K81 HydrophobicContact CG-CB 4.49Å; W76-K81 HydrophobicContact CG-CG 4.2Å; W76-K81 HydrophobicContact CH2-CD 4.33Å; W76-K81 HydrophobicContact CZ2-CB 4.44Å; W76-K81 HydrophobicContact CZ2-CD 3.71Å; W76-K81 HydrophobicContact CZ2-CG 3.99Å; W76-K81 HydrophobicContact CZ3-CB 4.39Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 HydrophobicContact CB-CG 4.41Å; K79-K81 PolarHBondContact O-N 3.09Å; K81-D85 HydrophobicContact CD-CB 3.76Å; K81-D85 VanDerWaalsContact CD-OD1 3.25Å; K81-D85 WeakPolarHBondContact CD-OD1 3.3Å; K81-D85 WeakPolarHBondContact CD-OD2 3.28Å; K81-D85 IonicContact NZ-OD1 3.22Å; K81-D85 PolarHBondContact NZ-OD1 3.15Å
82	T	90	Very high	86.5	Confident	31 Å²	31	53.8 Å²	53.8	19%	0.19	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-101.3	167.3	-174.5	65.6	0	0	0	0	112.5	A13 T15 L16 G84 D85 L86	A13-T82 WeakPolarHBondContact O-CB 3.47Å; A13-T82 PolarHBondContact O-OG1 3.01Å; T15-T82 CarbonylContact O-C 3.51Å; T15-T82 WeakPolarHBondContact O-CA 3.35Å; L16-T82 HydrophobicContact CD2-CG2 4.27Å; T82-G84 PolarHBondContact O-N 2.71Å; T82-G84 PolarHBondContact OG1-N 2.66Å; T82-D85 WeakPolarHBondContact CB-OD2 3.38Å; T82-D85 PolarHBondContact N-OD2 3.33Å; T82-D85 WeakPolarHBondContact O-CB 3.43Å; T82-D85 PolarHBondContact O-N 2.74Å; T82-D85 PolarHBondContact OG1-N 2.76Å; T82-D85 PolarHBondContact OG1-OD2 3.02Å; T82-L86 PolarHBondContact O-N 2.86Å; T82-L86 VanDerWaalsContact O-N 3.16Å
83	I	86.3	Confident	86.4	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-31.4	168.2	-62.6	-175.4	0	0	0	110.7	L11 T15 L20 L86 L87 I102	L11-I83 HydrophobicContact CB-CD1 4.11Å; L11-I83 HydrophobicContact CD1-CD1 4.1Å; L11-I83 HydrophobicContact CD2-CD1 4.03Å; L11-I83 HydrophobicContact CG-CD1 4.3Å; T15-I83 HydrophobicContact CG2-CD1 3.74Å; T15-I83 HydrophobicContact CG2-CG1 4.39Å; T15-I83 PolarHBondContact O-N 3.07Å; L20-I83 HydrophobicContact CD1-CD1 3.6Å; L20-I83 HydrophobicContact CD1-CG1 4.12Å; I83-L86 PolarHBondContact O-N 3.45Å; I83-L87 HydrophobicContact CG2-CD1 4.07Å; I83-L87 HydrophobicContact CG2-CG 4.38Å; I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 VanDerWaalsContact O-CG 3.31Å; I83-L87 WeakPolarHBondContact O-CG 3.21Å; I83-L87 PolarHBondContact O-N 3.49Å; I83-I102 HydrophobicContact CG2-CG2 3.52Å
84	G	84.9	Confident	86.2	Confident	23 Å²	23	56.1 Å²	56.1	24%	0.237	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-46.1	171.6	0	0	0	0	0	113.3	A13 T82 L86 L87 Q88	A13-G84 WeakPolarHBondContact O-CA 3.47Å; A13-G84 PolarHBondContact O-N 3.2Å; T82-G84 PolarHBondContact O-N 2.71Å; T82-G84 PolarHBondContact OG1-N 2.66Å; G84-L86 VanDerWaalsContact C-N 3.31Å; G84-L86 PolarHBondContact O-N 2.82Å; G84-L87 PolarHBondContact O-N 2.81Å; G84-Q88 PolarHBondContact O-N 2.86Å
85	D	88.9	Confident	86.2	Confident	40 Å²	40	49 Å²	49	21%	0.214	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-45.5	173.1	-66.4	-91.1	0	0	0	111.1	W76 K81 T82 Q88 V89	W76-D85 HydrophobicContact CH2-CB 3.55Å; W76-D85 HydrophobicContact CZ2-CB 4.07Å; W76-D85 HydrophobicContact CZ3-CB 4.25Å; K81-D85 HydrophobicContact CD-CB 3.76Å; K81-D85 VanDerWaalsContact CD-OD1 3.25Å; K81-D85 WeakPolarHBondContact CD-OD1 3.3Å; K81-D85 WeakPolarHBondContact CD-OD2 3.28Å; K81-D85 IonicContact NZ-OD1 3.22Å; K81-D85 PolarHBondContact NZ-OD1 3.15Å; T82-D85 WeakPolarHBondContact CB-OD2 3.38Å; T82-D85 PolarHBondContact N-OD2 3.33Å; T82-D85 WeakPolarHBondContact O-CB 3.43Å; T82-D85 PolarHBondContact O-N 2.74Å; T82-D85 PolarHBondContact OG1-N 2.76Å; T82-D85 PolarHBondContact OG1-OD2 3.02Å; D85-Q88 PolarHBondContact O-N 3.22Å; D85-V89 PolarHBondContact O-N 3.43Å; D85-V89 VanDerWaalsContact O-N 3.1Å
86	L	89.2	Confident	86.1	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-43.1	179.8	-179.1	58.3	0	0	0	111.9	L17 L73 W76 T82 I83 G84 Q88 V89 L90 I102	L17-L86 HydrophobicContact CD1-CD2 3.72Å; L73-L86 HydrophobicContact CD2-CD1 3.66Å; L73-L86 HydrophobicContact CD2-CD2 4.11Å; W76-L86 HydrophobicContact CZ3-CB 3.93Å; W76-L86 HydrophobicContact CZ3-CD1 4.09Å; T82-L86 PolarHBondContact O-N 2.86Å; T82-L86 VanDerWaalsContact O-N 3.16Å; I83-L86 PolarHBondContact O-N 3.45Å; G84-L86 VanDerWaalsContact C-N 3.31Å; G84-L86 PolarHBondContact O-N 2.82Å; L86-Q88 VanDerWaalsContact C-N 3.31Å; L86-Q88 PolarHBondContact O-N 2.9Å; L86-V89 PolarHBondContact O-N 2.9Å; L86-L90 HydrophobicContact CD1-CD1 4.01Å; L86-L90 HydrophobicContact CD1-CG 4Å; L86-L90 HydrophobicContact CD2-CD1 4.44Å; L86-L90 HydrophobicContact CG-CD1 3.82Å; L86-L90 HydrophobicContact CG-CG 4.27Å; L86-L90 WeakPolarHBondContact O-CB 3.3Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.21Å; L86-I102 HydrophobicContact CD2-CD1 4Å; L86-I102 HydrophobicContact CG-CD1 4.32Å
87	L	88	Confident	86	Confident	36 Å²	36	63.7 Å²	63.7	19%	0.188	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-40.4	176.7	-78.1	168	0	0	0	111.7	I83 G84 Q91 I99 I102 T103	I83-L87 HydrophobicContact CG2-CD1 4.07Å; I83-L87 HydrophobicContact CG2-CG 4.38Å; I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 VanDerWaalsContact O-CG 3.31Å; I83-L87 WeakPolarHBondContact O-CG 3.21Å; I83-L87 PolarHBondContact O-N 3.49Å; G84-L87 PolarHBondContact O-N 2.81Å; L87-Q91 VanDerWaalsContact O-CB 3.31Å; L87-Q91 WeakPolarHBondContact O-CB 3.2Å; L87-Q91 PolarHBondContact O-N 3.01Å; L87-I99 HydrophobicContact CD2-CB 4.45Å; L87-I99 HydrophobicContact CD2-CG2 4Å; L87-I102 HydrophobicContact CD1-CG2 4.06Å; L87-I102 HydrophobicContact CD2-CB 3.96Å; L87-I102 HydrophobicContact CD2-CD1 4.09Å; L87-I102 HydrophobicContact CD2-CG2 3.83Å; L87-I102 HydrophobicContact CG-CG2 4.05Å; L87-T103 HydrophobicContact CD2-CG2 4.29Å
88	Q	89	Confident	86.1	Confident	114 Å²	114	63.4 Å²	63.4	53%	0.533	30%	0.304	S	S	.	.	H	α-helix	trans	-61.8	-51.1	174.4	-178	-178.9	-23.8	0	0	111.4	G84 D85 L86 L90 Q91 E92	G84-Q88 PolarHBondContact O-N 2.86Å; D85-Q88 PolarHBondContact O-N 3.22Å; L86-Q88 VanDerWaalsContact C-N 3.31Å; L86-Q88 PolarHBondContact O-N 2.9Å; Q88-L90 VanDerWaalsContact C-N 3.32Å; Q88-L90 PolarHBondContact O-N 3.44Å; Q88-Q91 WeakPolarHBondContact O-CA 3.46Å; Q88-Q91 WeakPolarHBondContact O-CB 3.12Å; Q88-Q91 PolarHBondContact O-N 3.22Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.25Å; Q88-E92 PolarHBondContact NE2-OE1 3.27Å; Q88-E92 WeakPolarHBondContact O-CG 3.49Å; Q88-E92 PolarHBondContact O-N 3.38Å
89	V	89.5	Confident	86.4	Confident	14 Å²	14	58.8 Å²	58.8	9%	0.085	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-40.7	-180	176.6	0	0	0	0	111.4	L44 R47 L48 W76 D85 L86 Q91 E92 M93	L44-V89 HydrophobicContact CD1-CG1 3.84Å; R47-V89 HydrophobicContact CB-CG1 3.85Å; L48-V89 HydrophobicContact CD2-CB 4.3Å; L48-V89 HydrophobicContact CD2-CG1 3.84Å; L48-V89 HydrophobicContact CD2-CG2 3.94Å; W76-V89 HydrophobicContact CH2-CG2 3.89Å; W76-V89 HydrophobicContact CZ2-CG2 4.19Å; D85-V89 PolarHBondContact O-N 3.43Å; D85-V89 VanDerWaalsContact O-N 3.1Å; L86-V89 PolarHBondContact O-N 2.9Å; V89-Q91 VanDerWaalsContact C-N 3.29Å; V89-Q91 PolarHBondContact O-N 3.32Å; V89-E92 PolarHBondContact O-N 3.2Å; V89-M93 HydrophobicContact CG1-SD 4.19Å; V89-M93 WeakPolarHBondContact O-CG 3.43Å; V89-M93 PolarHBondContact O-N 2.96Å
90	L	88.9	Confident	86.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-30.7	175.2	-68.7	173.1	0	0	0	112.4	L32 L86 Q88 G94 H95 A98 I99 I102	L32-L90 HydrophobicContact CD1-CD2 4.13Å; L32-L90 HydrophobicContact CD2-CD2 4.06Å; L86-L90 HydrophobicContact CD1-CD1 4.01Å; L86-L90 HydrophobicContact CD1-CG 4Å; L86-L90 HydrophobicContact CD2-CD1 4.44Å; L86-L90 HydrophobicContact CG-CD1 3.82Å; L86-L90 HydrophobicContact CG-CG 4.27Å; L86-L90 WeakPolarHBondContact O-CB 3.3Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.21Å; Q88-L90 VanDerWaalsContact C-N 3.32Å; Q88-L90 PolarHBondContact O-N 3.44Å; L90-G94 PolarHBondContact O-N 2.96Å; L90-G94 VanDerWaalsContact O-N 3.15Å; L90-H95 HydrophobicContact CD2-CB 4.17Å; L90-H95 PolarHBondContact O-N 3.47Å; L90-A98 HydrophobicContact CD1-CB 3.88Å; L90-A98 HydrophobicContact CD2-CB 4.07Å; L90-I99 HydrophobicContact CB-CD1 4.45Å; L90-I99 HydrophobicContact CB-CG1 3.82Å; L90-I102 HydrophobicContact CD1-CD1 3.67Å
91	Q	88.2	Confident	86.7	Confident	144 Å²	144	57.8 Å²	57.8	67%	0.673	28%	0.278	S	S	*	.	H	α-helix	trans	-72.2	-40.2	173.2	-176.2	172	-14.2	0	0	112	L87 Q88 V89 M93 G94 I99	L87-Q91 VanDerWaalsContact O-CB 3.31Å; L87-Q91 WeakPolarHBondContact O-CB 3.2Å; L87-Q91 PolarHBondContact O-N 3.01Å; Q88-Q91 WeakPolarHBondContact O-CA 3.46Å; Q88-Q91 WeakPolarHBondContact O-CB 3.12Å; Q88-Q91 PolarHBondContact O-N 3.22Å; V89-Q91 VanDerWaalsContact C-N 3.29Å; V89-Q91 PolarHBondContact O-N 3.32Å; Q91-M93 VanDerWaalsContact C-N 3.3Å; Q91-M93 PolarHBondContact O-N 3.2Å; Q91-G94 WeakPolarHBondContact O-CA 3.23Å; Q91-G94 PolarHBondContact O-N 3.02Å; Q91-I99 HydrophobicContact CB-CD1 4.04Å
92	E	86.3	Confident	86.6	Confident	115 Å²	115	55 Å²	55	54%	0.537	27%	0.266	S	S	.	.	H	α-helix	trans	-66.2	-29.7	172.6	-70.2	172.7	-166.1	0	0	112.7	Q88 V89 G94	Q88-E92 WeakPolarHBondContact CG-OE1 3.25Å; Q88-E92 PolarHBondContact NE2-OE1 3.27Å; Q88-E92 WeakPolarHBondContact O-CG 3.49Å; Q88-E92 PolarHBondContact O-N 3.38Å; V89-E92 PolarHBondContact O-N 3.2Å; E92-G94 VanDerWaalsContact C-N 3.29Å
93	M	86.5	Confident	86.3	Confident	13 Å²	13	57.6 Å²	57.6	6%	0.064	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.9	167.9	-69.2	174.4	68.3	0	0	113.3	A38 L39 L44 V89 Q91 H95	A38-M93 WeakPolarHBondContact O-CE 3.29Å; L39-M93 WeakPolarHBondContact CD2-O 3.35Å; L44-M93 HydrophobicContact CB-CE 4.03Å; L44-M93 HydrophobicContact CB-SD 4.03Å; L44-M93 HydrophobicContact CD1-SD 3.71Å; V89-M93 HydrophobicContact CG1-SD 4.19Å; V89-M93 WeakPolarHBondContact O-CG 3.43Å; V89-M93 PolarHBondContact O-N 2.96Å; Q91-M93 VanDerWaalsContact C-N 3.3Å; Q91-M93 PolarHBondContact O-N 3.2Å; M93-H95 HydrophobicContact CB-CB 4.29Å; M93-H95 PolarHBondContact O-N 2.97Å
94	G	84.1	Confident	85.9	Confident	45 Å²	45	60.5 Å²	60.5	46%	0.464	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	19.4	-174.1	0	0	0	0	0	114.3	L90 Q91 E92 R96	L90-G94 PolarHBondContact O-N 2.96Å; L90-G94 VanDerWaalsContact O-N 3.15Å; Q91-G94 WeakPolarHBondContact O-CA 3.23Å; Q91-G94 PolarHBondContact O-N 3.02Å; E92-G94 VanDerWaalsContact C-N 3.29Å; G94-R96 VanDerWaalsContact C-N 3.25Å; G94-R96 PolarHBondContact O-N 3.12Å
95	H	85.6	Confident	85.3	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.056	29%	0.29	C	S	.	.			trans	-81.5	59.5	-168.4	-157.2	-59.4	0	0	0	113.4	V31 L39 L90 M93 R97 A98 I99	V31-H95 WeakPolarHBondContact CG1-CE1 3.48Å; L39-H95 PolarHBondContact O-CD2 3.4Å; L39-H95 VanDerWaalsContact O-CD2 3.23Å; L90-H95 HydrophobicContact CD2-CB 4.17Å; L90-H95 PolarHBondContact O-N 3.47Å; M93-H95 HydrophobicContact CB-CB 4.29Å; M93-H95 PolarHBondContact O-N 2.97Å; H95-R97 PolarHBondContact O-N 2.92Å; H95-A98 VanDerWaalsContact ND1-CB 3.29Å; H95-A98 WeakPolarHBondContact ND1-CB 3.21Å; H95-A98 PolarHBondContact ND1-N 3.04Å; H95-A98 PolarHBondContact O-N 3.44Å; H95-I99 PolarHBondContact O-N 2.79Å
96	R	83.1	Confident	84	Confident	209 Å²	209	59.6 Å²	59.6	79%	0.789	29%	0.293	S	S	*	.	H	α-helix	trans	-48.2	-35.1	-171	-57.8	-179.4	82.3	156.7	3.8	114.9	G94 H100	G94-R96 VanDerWaalsContact C-N 3.25Å; G94-R96 PolarHBondContact O-N 3.12Å; R96-H100 WeakPolarHBondContact O-CB 3.25Å; R96-H100 PolarHBondContact O-N 2.91Å
97	R	83.7	Confident	82.1	Confident	169 Å²	169	62.6 Å²	62.6	64%	0.638	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-38	178.1	-175	176.8	-179.6	-178.2	-1	113.2	V31 H95 L101	V31-R97 HydrophobicContact CG1-CG 4.38Å; V31-R97 HydrophobicContact CG2-CG 4.5Å; H95-R97 PolarHBondContact O-N 2.92Å; R97-L101 WeakPolarHBondContact O-CG 3.13Å; R97-L101 PolarHBondContact O-N 2.49Å
98	A	85.6	Confident	79.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-76.5	-39.8	-179.2	0	0	0	0	0	110.8	L28 L90 H95 H100 L101 I102	L28-A98 HydrophobicContact CD2-CB 3.7Å; L90-A98 HydrophobicContact CD1-CB 3.88Å; L90-A98 HydrophobicContact CD2-CB 4.07Å; H95-A98 VanDerWaalsContact ND1-CB 3.29Å; H95-A98 WeakPolarHBondContact ND1-CB 3.21Å; H95-A98 PolarHBondContact ND1-N 3.04Å; H95-A98 PolarHBondContact O-N 3.44Å; A98-H100 PolarHBondContact O-N 2.63Å; A98-L101 PolarHBondContact O-N 3.49Å; A98-I102 PolarHBondContact O-N 2.64Å
99	I	86.6	Confident	77.2	Confident	36 Å²	36	68.9 Å²	68.9	19%	0.185	36%	0.359	C	S	.	.	H	α-helix	trans	-54.5	-52.7	170.2	-58.5	172.4	0	0	0	109.9	L87 L90 Q91 H95 L101 I102 T103	L87-I99 HydrophobicContact CD2-CB 4.45Å; L87-I99 HydrophobicContact CD2-CG2 4Å; L90-I99 HydrophobicContact CB-CD1 4.45Å; L90-I99 HydrophobicContact CB-CG1 3.82Å; Q91-I99 HydrophobicContact CB-CD1 4.04Å; H95-I99 PolarHBondContact O-N 2.79Å; I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 3.49Å; I99-I102 PolarHBondContact O-N 2.85Å; I99-I102 VanDerWaalsContact O-N 3.08Å; I99-T103 HydrophobicContact CG2-CG2 4.1Å; I99-T103 WeakPolarHBondContact O-CG2 3.36Å; I99-T103 PolarHBondContact O-N 3.31Å; I99-T103 PolarHBondContact O-OG1 2.72Å
100	H	84.7	Confident	74.2	Confident	106 Å²	106	72.8 Å²	72.8	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-35.2	179.9	-178.6	-73.7	0	0	0	113.6	R96 A98 T103 N104	R96-H100 WeakPolarHBondContact O-CB 3.25Å; R96-H100 PolarHBondContact O-N 2.91Å; A98-H100 PolarHBondContact O-N 2.63Å; H100-T103 WeakPolarHBondContact CA-OG1 3.38Å; H100-T103 PolarHBondContact O-OG1 3.2Å; H100-N104 PolarHBondContact CE1-ND2 3.24Å; H100-N104 VanDerWaalsContact CE1-ND2 3.29Å; H100-N104 PolarHBondContact NE2-ND2 3.09Å; H100-N104 VanDerWaalsContact O-CB 3.29Å; H100-N104 WeakPolarHBondContact O-CB 3.26Å; H100-N104 PolarHBondContact O-N 3.49Å; H100-N104 VanDerWaalsContact O-N 3.15Å
101	L	85.4	Confident	71.6	Confident	39 Å²	39	78.7 Å²	78.7	20%	0.204	43%	0.426	C	S	.	.	H	α-helix	trans	-65.3	-41	174.5	-73.7	172.8	0	0	0	111.9	L24 E27 L28 V31 R97 A98 I99 H105	L24-L101 HydrophobicContact CD1-CB 3.98Å; L24-L101 WeakPolarHBondContact CD1-O 3.42Å; E27-L101 HydrophobicContact CB-CD1 4.28Å; L28-L101 HydrophobicContact CD2-CB 4.39Å; L28-L101 HydrophobicContact CD2-CD1 4.47Å; V31-L101 HydrophobicContact CG2-CD1 3.9Å; R97-L101 WeakPolarHBondContact O-CG 3.13Å; R97-L101 PolarHBondContact O-N 2.49Å; A98-L101 PolarHBondContact O-N 3.49Å; I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 3.49Å; L101-H105 WeakPolarHBondContact O-CB 3.31Å; L101-H105 PolarHBondContact O-N 3.15Å
102	I	84.5	Confident	68.6	Low	6 Å²	6	77.1 Å²	77.1	3%	0.031	43%	0.431	C	S	.	.	H	α-helix	trans	-70.9	-50.5	178.1	-64.5	164.7	0	0	0	110.9	L24 L28 I83 L86 L87 L90 A98 I99 N104 H105	L24-I102 HydrophobicContact CD2-CG1 4.38Å; L28-I102 HydrophobicContact CD1-CD1 4.01Å; L28-I102 HydrophobicContact CD1-CG1 3.79Å; L28-I102 HydrophobicContact CD2-CD1 4.11Å; L28-I102 HydrophobicContact CD2-CG1 4.07Å; L28-I102 HydrophobicContact CG-CG1 4.47Å; I83-I102 HydrophobicContact CG2-CG2 3.52Å; L86-I102 HydrophobicContact CD2-CD1 4Å; L86-I102 HydrophobicContact CG-CD1 4.32Å; L87-I102 HydrophobicContact CD1-CG2 4.06Å; L87-I102 HydrophobicContact CD2-CB 3.96Å; L87-I102 HydrophobicContact CD2-CD1 4.09Å; L87-I102 HydrophobicContact CD2-CG2 3.83Å; L87-I102 HydrophobicContact CG-CG2 4.05Å; L90-I102 HydrophobicContact CD1-CD1 3.67Å; A98-I102 PolarHBondContact O-N 2.64Å; I99-I102 PolarHBondContact O-N 2.85Å; I99-I102 VanDerWaalsContact O-N 3.08Å; I102-N104 VanDerWaalsContact C-N 3.29Å; I102-N104 PolarHBondContact O-N 3.06Å; I102-H105 WeakPolarHBondContact O-CB 3.41Å; I102-H105 PolarHBondContact O-N 3.33Å
103	T	82.9	Confident	65.8	Low	86 Å²	86	80.5 Å²	80.5	53%	0.528	45%	0.446	S	S	.	.	H	α-helix	trans	-65.4	-31.8	-175.2	57.4	0	0	0	0	113	L87 I99 H100	L87-T103 HydrophobicContact CD2-CG2 4.29Å; I99-T103 HydrophobicContact CG2-CG2 4.1Å; I99-T103 WeakPolarHBondContact O-CG2 3.36Å; I99-T103 PolarHBondContact O-N 3.31Å; I99-T103 PolarHBondContact O-OG1 2.72Å; H100-T103 WeakPolarHBondContact CA-OG1 3.38Å; H100-T103 PolarHBondContact O-OG1 3.2Å
104	N	78.1	Confident	63	Low	62 Å²	62	89.8 Å²	89.8	33%	0.332	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7	-177.2	-58.5	17.3	0	0	0	112	H100 I102 G106 A107	H100-N104 PolarHBondContact CE1-ND2 3.24Å; H100-N104 VanDerWaalsContact CE1-ND2 3.29Å; H100-N104 PolarHBondContact NE2-ND2 3.09Å; H100-N104 VanDerWaalsContact O-CB 3.29Å; H100-N104 WeakPolarHBondContact O-CB 3.26Å; H100-N104 PolarHBondContact O-N 3.49Å; H100-N104 VanDerWaalsContact O-N 3.15Å; I102-N104 VanDerWaalsContact C-N 3.29Å; I102-N104 PolarHBondContact O-N 3.06Å; N104-G106 PolarHBondContact O-N 2.97Å; N104-A107 HydrophobicContact CB-CB 4.34Å; N104-A107 WeakPolarHBondContact O-CB 2.9Å; N104-A107 PolarHBondContact O-N 3.4Å
105	H	72.3	Confident	60.2	Low	17 Å²	17	93.2 Å²	93.2	8%	0.079	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	98.4	176.6	-175.7	-84.2	0	0	0	111.3	L11 L24 L101 I102	L11-H105 HydrophobicContact CD1-CB 3.93Å; L24-H105 HydrophobicContact CD2-CB 3.93Å; L101-H105 WeakPolarHBondContact O-CB 3.31Å; L101-H105 PolarHBondContact O-N 3.15Å; I102-H105 WeakPolarHBondContact O-CB 3.41Å; I102-H105 PolarHBondContact O-N 3.33Å
106	G	61.8	Low	57.4	Low	27 Å²	27	103.3 Å²	103.3	28%	0.278	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	118.8	-14.6	-175.6	0	0	0	0	0	113.5	N104 V108	N104-G106 PolarHBondContact O-N 2.97Å; G106-V108 PolarHBondContact O-N 2.8Å
107	A	50.2	Low	54.7	Low	64 Å²	64	101 Å²	101	53%	0.529	54%	0.541	S	S	.	.			trans	-71	121.7	171.8	0	0	0	0	0	110.5	N104 L109	N104-A107 HydrophobicContact CB-CB 4.34Å; N104-A107 WeakPolarHBondContact O-CB 2.9Å; N104-A107 PolarHBondContact O-N 3.4Å; A107-L109 PolarHBondContact O-N 2.89Å
108	V	37.3	Very low	52	Low	133 Å²	133	101.1 Å²	101.1	81%	0.806	55%	0.549	S	S	*	.			trans	-76.1	108	173.9	177.5	0	0	0	0	109	G106 S110	G106-V108 PolarHBondContact O-N 2.8Å; V108-S110 PolarHBondContact O-N 2.99Å; V108-S110 VanDerWaalsContact O-N 3.12Å
109	L	36	Very low	49.1	Very low	149 Å²	149	104.8 Å²	104.8	78%	0.78	59%	0.587	S	S	*	*			trans	-75.3	98	172.4	-76.9	170.5	0	0	0	110.6	A107	A107-L109 PolarHBondContact O-N 2.89Å
110	S	26.6	Very low	46.1	Very low	96 Å²	96	106.8 Å²	106.8	67%	0.671	62%	0.616	S	S	*	*			trans	-67.6	141	154.5	-60.1	0	0	0	0	108.9	V108	V108-S110 PolarHBondContact O-N 2.99Å; V108-S110 VanDerWaalsContact O-N 3.12Å
111	P	33.4	Very low	43.3	Very low	124 Å²	124	111.7 Å²	111.7	81%	0.805	64%	0.636	S	S	*	*			trans	-79.8	150.3	-177.8	31.8	-34.8	0	0	0	112.7
112	S	26.7	Very low	41.2	Very low	111 Å²	111	114.7 Å²	114.7	78%	0.776	66%	0.658	S	S	*	*			trans	70.5	148.5	-174.5	-119.3	0	0	0	0	114.2
113	E	26.5	Very low	38.3	Very low	186 Å²	186	121.5 Å²	121.5	87%	0.869	69%	0.694	S	S	*	*			cis	-125.9	-179.7	11.3	-64.8	-172.1	125.8	0	0	113.5
114	K	28	Very low	35.6	Very low	208 Å²	208	125.3 Å²	125.3	90%	0.904	71%	0.71	S	S	*	*			trans	-102.8	133.3	175.7	-59.8	171.4	-178.5	172.2	0	111.1
115	S	25.1	Very low	33	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	73%	0.733	S	S	*	*			trans	-155.3	165	152.2	59	0	0	0	0	111.6
116	Y	26.8	Very low	30.7	Very low	223 Å²	223	135.4 Å²	135.4	88%	0.875	76%	0.763	S	S	*	*			trans	-102.3	-176.4	-177.9	-78	-106.3	0	0	0	111.5
117	Q	27.3	Very low	29	Very low	160 Å²	160	144 Å²	144	75%	0.748	79%	0.793	S	S	*	*			trans	81.8	149.9	164.6	-61.2	-145.9	-68.3	0	0	117.3
118	E	26	Very low	27.8	Very low	172 Å²	172	148.2 Å²	148.2	80%	0.804	80%	0.801	S	S	*	*			cis	-155.6	-173.4	-28.7	-160.1	144.3	-97.7	0	0	108.7
119	G	25.2	Very low	27.2	Very low	78 Å²	78	148.7 Å²	148.7	80%	0.804	81%	0.805	S	S	*	*			trans	-76.9	164.9	-162.5	0	0	0	0	0	118.2
120	G	23.6	Very low	26.6	Very low	77 Å²	77	145.9 Å²	145.9	79%	0.794	80%	0.803	S	S	*	*			trans	-178.3	107.4	173.6	0	0	0	0	0	115.1
121	F	26.3	Very low	26.4	Very low	209 Å²	209	147 Å²	147	92%	0.917	81%	0.811	S	S	*	*			trans	-121.3	170.1	161.3	-83.4	-74.1	0	0	0	106.7
122	P	40	Very low	26	Very low	102 Å²	102	147.4 Å²	147.4	66%	0.662	81%	0.811	S	S	*	*			cis	-149.5	177.1	22.1	45.2	-25.6	0	0	0	119.4
123	N	25	Very low	26	Very low	149 Å²	149	147.7 Å²	147.7	80%	0.797	81%	0.808	S	S	*	*			trans	72.2	167.9	140.4	-74.1	-13	0	0	0	123.8
124	I	24.7	Very low	26.1	Very low	166 Å²	166	145.5 Å²	145.5	85%	0.851	81%	0.807	S	S	*	*			trans	86.3	124.7	174.9	-58.1	176.7	0	0	0	114.1
125	L	23.7	Very low	26.1	Very low	155 Å²	155	140.9 Å²	140.9	81%	0.812	79%	0.792	S	S	*	*			cis	-161.6	145.1	-12	166	64.7	0	0	0	109.2
126	L	25.6	Very low	26.6	Very low	136 Å²	136	142.8 Å²	142.8	71%	0.712	79%	0.793	S	S	*	*			trans	-66.8	144.2	172.2	-103.9	75	0	0	0	112.7	E128	L126-E128 HydrophobicContact CD2-CG 4.38Å
127	K	25.1	Very low	26.6	Very low	209 Å²	209	135.7 Å²	135.7	91%	0.909	77%	0.773	S	S	*	*			trans	-145.5	105.8	142.8	-141.7	174.1	-172.2	-179.7	0	111.7
128	E	25.5	Very low	26.7	Very low	152 Å²	152	133.9 Å²	133.9	71%	0.71	77%	0.768	S	S	*	*			trans	-74.1	143.2	170.8	-65.5	170.3	96.9	0	0	111.1	L126	L126-E128 HydrophobicContact CD2-CG 4.38Å
129	T	23.9	Very low	27	Very low	143 Å²	143	131.8 Å²	131.8	88%	0.877	76%	0.761	S	S	*	*			trans	-137.4	92.6	145.3	50.1	0	0	0	0	107.7
130	A	23.1	Very low	27.4	Very low	90 Å²	90	131.1 Å²	131.1	74%	0.744	74%	0.742	S	S	*	*			trans	-77.7	137	-175.7	0	0	0	0	0	112.1
131	S	23.8	Very low	27.6	Very low	120 Å²	120	135.4 Å²	135.4	84%	0.839	74%	0.742	S	S	*	*			trans	-139.2	109	160.5	48.2	0	0	0	0	110.6	T133	S131-T133 PolarHBondContact O-N 3.22Å
132	V	24	Very low	28	Very low	131 Å²	131	134.2 Å²	134.2	79%	0.794	74%	0.739	S	S	*	*			trans	-54.6	117.7	-169.2	172.5	0	0	0	0	115
133	T	27.1	Very low	27.5	Very low	118 Å²	118	135.3 Å²	135.3	72%	0.724	74%	0.739	S	S	*	*			trans	25.4	131.5	147	64.8	0	0	0	0	122.1	S131	S131-T133 PolarHBondContact O-N 3.22Å
134	V	27.4	Very low	28.1	Very low	140 Å²	140	131.2 Å²	131.2	85%	0.848	73%	0.732	S	S	*	*				-132.4	148.3	124.6	-179.3	0	0	0	0	108.3
135	D	29.6	Very low	28.9	Very low	111 Å²	111	132 Å²	132	59%	0.594	73%	0.729	S	S	*	*			trans	-48.3	144.9	-166.1	-49.6	-41.2	0	0	0	117.6	V137 K203	D135-V137 PolarHBondContact O-N 3.14Å; D135-K203 IonicContact OD2-NZ 2.71Å; D135-K203 PolarHBondContact OD2-NZ 3.38Å
136	N	33.9	Very low	29.8	Very low	157 Å²	157	127 Å²	127	84%	0.84	72%	0.716	S	S	*	*			trans	-55.7	103.3	171	-63.8	-18.4	0	0	0	113.1
137	V	28.8	Very low	30.8	Very low	74 Å²	74	126.1 Å²	126.1	45%	0.448	71%	0.71	S	S	.	*			trans	-111.3	138.4	151.2	176.4	0	0	0	0	106.1	D135 I139	D135-V137 PolarHBondContact O-N 3.14Å; V137-I139 PolarHBondContact O-N 3.12Å
138	L	28.8	Very low	31.9	Very low	123 Å²	123	122.2 Å²	122.2	64%	0.644	70%	0.698	S	S	*	*			trans	-66.9	99.8	168.5	-116.5	86.8	0	0	0	108.1
139	I	32.4	Very low	33.2	Very low	128 Å²	128	120.5 Å²	120.5	66%	0.656	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-71.3	129.6	159.5	-56	177.3	0	0	0	105.4	V137 E141	V137-I139 PolarHBondContact O-N 3.12Å; I139-E141 PolarHBondContact O-N 2.88Å
140	P	32.2	Very low	34.1	Very low	64 Å²	64	121.6 Å²	121.6	42%	0.416	69%	0.693	S	S	.	*	P	Polyproline II helix	trans	-53.1	131.5	172.6	-25.5	34.9	0	0	0	110.1
141	E	28.9	Very low	35.6	Very low	167 Å²	167	119.7 Å²	119.7	78%	0.78	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-57.6	148.1	-176.5	-69.1	-166	142.9	0	0	111.7	I139 N143	I139-E141 PolarHBondContact O-N 2.88Å; E141-N143 PolarHBondContact O-N 3.45Å
142	H	34.4	Very low	37.9	Very low	184 Å²	184	117.5 Å²	117.5	85%	0.852	66%	0.659	S	S	*	*			trans	-76.3	44.4	-163.2	-157.3	-62.1	0	0	0	114.3	G144	H142-G144 PolarHBondContact O-N 3Å
143	N	30.2	Very low	40.9	Very low	125 Å²	125	112.1 Å²	112.1	67%	0.668	63%	0.626	S	S	*	*			trans	-79.8	108.7	173.6	-77.5	-51.2	0	0	0	110	E141 K145	E141-N143 PolarHBondContact O-N 3.45Å; N143-K145 PolarHBondContact O-N 3.13Å
144	G	37.8	Very low	43.9	Very low	63 Å²	63	108.8 Å²	108.8	65%	0.649	61%	0.607	S	S	*	*	S	Bend	trans	-72.3	49.3	-178.8	0	0	0	0	0	115.1	H142	H142-G144 PolarHBondContact O-N 3Å
145	K	40.7	Very low	46.9	Very low	181 Å²	181	102.4 Å²	102.4	79%	0.787	57%	0.568	S	S	*	*	S	Bend	trans	-146.7	118.4	170.2	-66.1	-172.1	180	179.1	0	108.6	N143	N143-K145 PolarHBondContact O-N 3.13Å
146	G	41.6	Very low	49.8	Very low	52 Å²	52	101.8 Å²	101.8	54%	0.536	56%	0.561	S	S	.	*			trans	-56.4	142.8	176.5	0	0	0	0	0	112
147	I	47	Very low	52.6	Low	117 Å²	117	96.2 Å²	96.2	60%	0.6	53%	0.532	S	S	*	.	S	Bend	trans	-95.1	137.7	-172.9	-57.6	178.7	0	0	0	110.4
148	L	49.3	Very low	55.7	Low	126 Å²	126	92.7 Å²	92.7	66%	0.66	51%	0.511	S	S	*	.	S	Bend	trans	75.3	134.1	-176.6	-137.3	66.9	0	0	0	114.9
149	P	53.3	Low	58.8	Low	116 Å²	116	89 Å²	89	75%	0.753	49%	0.491	S	S	*	.			trans	-120.8	129.4	-150.8	36.4	-20.2	0	0	0	114.9
150	K	43	Very low	61.7	Low	167 Å²	167	88 Å²	88	73%	0.726	48%	0.483	S	S	*	.	S	Bend	trans	-156.1	-8.1	163.5	-127.9	-178.7	-166.3	174.8	0	116	E226	K150-E226 IonicContact NZ-OE1 3.74Å; K150-E226 PolarHBondContact NZ-OE1 2.89Å; K150-E226 IonicContact NZ-OE2 3.74Å
151	S	53.4	Low	64.7	Low	50 Å²	50	85.9 Å²	85.9	35%	0.35	47%	0.473	S	S	.	.			trans	-141.1	153.6	-168.3	66.7	0	0	0	0	113.6	I153 A228	S151-I153 PolarHBondContact O-N 3.41Å; S151-A228 PolarHBondContact OG-O 3.03Å
152	S	72.7	Confident	67.8	Low	74 Å²	74	78 Å²	78	52%	0.517	44%	0.436	S	S	.	.			trans	-81.2	16.2	176.1	44.4	0	0	0	0	113.3	Q185	S152-Q185 PolarHBondContact OG-NE2 3.49Å; S152-Q185 PolarHBondContact OG-OE1 3.27Å
153	I	86.6	Confident	70.7	Confident	18 Å²	18	77.2 Å²	77.2	9%	0.092	43%	0.426	C	S	.	.			trans	-78.2	128.6	-173.1	-62.2	166	0	0	0	110	S151 I158 I184 Y189 F231 V240	S151-I153 PolarHBondContact O-N 3.41Å; I153-I158 HydrophobicContact CG2-CD1 4.35Å; I153-I158 HydrophobicContact CG2-CG1 4.31Å; I153-I184 HydrophobicContact CG1-CD1 4.22Å; I153-I184 HydrophobicContact CG1-CG2 4.33Å; I153-I184 HydrophobicContact CG2-CD1 3.88Å; I153-Y189 HydrophobicContact CD1-CD1 4.31Å; I153-Y189 HydrophobicContact CD1-CD2 4.46Å; I153-Y189 HydrophobicContact CD1-CE1 3.84Å; I153-Y189 HydrophobicContact CD1-CE2 4Å; I153-F231 HydrophobicContact CG2-CE2 3.91Å; I153-F231 HydrophobicContact CG2-CZ 3.86Å; I153-F231 WeakPolarHBondContact O-CZ 3.45Å; I153-V240 HydrophobicContact CD1-CG1 4.32Å
154	S	90.1	Very high	73.6	Confident	48 Å²	48	76.1 Å²	76.1	34%	0.336	42%	0.42	S	S	.	.			trans	-112	158.8	165.1	70.4	0	0	0	0	111.2	Q156 N157 I158	S154-Q156 PolarHBondContact O-N 2.81Å; S154-N157 PolarHBondContact N-OD1 2.63Å; S154-N157 VanDerWaalsContact N-OD1 3.1Å; S154-N157 PolarHBondContact O-N 2.85Å; S154-N157 VanDerWaalsContact OG-CG 3.24Å; S154-N157 PolarHBondContact OG-N 2.87Å; S154-N157 PolarHBondContact OG-OD1 3.42Å; S154-I158 PolarHBondContact O-N 2.87Å
155	F	90.1	Very high	76.3	Confident	5 Å²	5	73.9 Å²	73.9	2%	0.022	39%	0.393	C	S	.	.	H	α-helix	trans	-59.7	-32.5	174.8	-170.8	-117.3	0	0	0	112.2	N157 I158 I159 F165 F231 E233 T234 K236	F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 2.99Å; F155-I158 HydrophobicContact CD2-CD1 4.36Å; F155-I158 WeakPolarHBondContact O-CA 3.41Å; F155-I158 WeakPolarHBondContact O-CB 3.38Å; F155-I158 PolarHBondContact O-N 3.21Å; F155-I159 HydrophobicContact CD1-CD1 3.88Å; F155-I159 HydrophobicContact CD1-CG1 4.35Å; F155-I159 HydrophobicContact CE1-CD1 3.74Å; F155-I159 HydrophobicContact CE1-CG1 4.12Å; F155-I159 HydrophobicContact CZ-CG1 4.47Å; F155-I159 PolarHBondContact O-N 2.88Å; F155-F165 HydrophobicContact CE2-CZ 4.29Å; F155-F165 HydrophobicContact CZ-CZ 4.33Å; F155-F231 HydrophobicContact CB-CD1 3.73Å; F155-F231 HydrophobicContact CB-CE1 4.17Å; F155-F231 HydrophobicContact CB-CG 4.12Å; F155-F231 HydrophobicContact CD2-CB 3.77Å; F155-F231 HydrophobicContact CD2-CD1 4.43Å; F155-F231 HydrophobicContact CD2-CD2 4.47Å; F155-F231 AromaticContact CD2-CG 3.97Å; F155-F231 HydrophobicContact CD2-CG 3.97Å; F155-F231 HydrophobicContact CE2-CB 4.41Å; F155-F231 HydrophobicContact CG-CB 4.43Å; F155-F231 HydrophobicContact CG-CD1 4.49Å; F155-F231 HydrophobicContact CG-CG 4.47Å; F155-E233 WeakPolarHBondContact CB-OE2 3.33Å; F155-E233 HydrophobicContact CD1-CB 3.95Å; F155-E233 HydrophobicContact CE1-CB 4.33Å; F155-E233 HydrophobicContact CG-CB 4.28Å; F155-T234 VanDerWaalsContact CE1-OG1 3.28Å; F155-T234 WeakPolarHBondContact CE1-OG1 3.5Å; F155-K236 HydrophobicContact CZ-CB 3.99Å; F155-K236 HydrophobicContact CZ-CD 4.02Å
156	Q	91.4	Very high	78.9	Confident	98 Å²	98	69.5 Å²	69.5	46%	0.458	38%	0.375	S	S	.	.	H	α-helix	trans	-59	-40.2	173.4	-178.6	60.4	21.5	0	0	112.2	S154 I158 I159 E160	S154-Q156 PolarHBondContact O-N 2.81Å; Q156-I158 VanDerWaalsContact C-N 3.26Å; Q156-I158 PolarHBondContact O-N 3.38Å; Q156-I159 PolarHBondContact O-N 2.94Å; Q156-E160 HydrophobicContact CG-CG 4.5Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.2Å; Q156-E160 PolarHBondContact NE2-OE1 2.71Å; Q156-E160 WeakPolarHBondContact O-CB 3.41Å; Q156-E160 WeakPolarHBondContact O-CG 3.33Å; Q156-E160 PolarHBondContact O-N 2.99Å
157	N	92.7	Very high	81.4	Confident	41 Å²	41	75 Å²	75	22%	0.219	38%	0.384	C	S	.	.	H	α-helix	trans	-67.7	-27.8	176.4	-52.8	126.8	0	0	0	112.5	S154 F155 G161 I184	S154-N157 PolarHBondContact N-OD1 2.63Å; S154-N157 VanDerWaalsContact N-OD1 3.1Å; S154-N157 PolarHBondContact O-N 2.85Å; S154-N157 VanDerWaalsContact OG-CG 3.24Å; S154-N157 PolarHBondContact OG-N 2.87Å; S154-N157 PolarHBondContact OG-OD1 3.42Å; F155-N157 VanDerWaalsContact C-N 3.32Å; F155-N157 PolarHBondContact O-N 2.99Å; N157-G161 PolarHBondContact O-N 2.89Å; N157-I184 HydrophobicContact CB-CD1 4.05Å; N157-I184 HydrophobicContact CB-CG1 4.31Å; N157-I184 HydrophobicContact CB-CG2 4.11Å
158	I	93.9	Very high	83.8	Confident	0 Å²	0	75 Å²	75	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-69.9	-45.3	172.5	-62	173.5	0	0	0	110.3	I153 S154 F155 Q156 T162 F165 I184 V191 F231 V240	I153-I158 HydrophobicContact CG2-CD1 4.35Å; I153-I158 HydrophobicContact CG2-CG1 4.31Å; S154-I158 PolarHBondContact O-N 2.87Å; F155-I158 HydrophobicContact CD2-CD1 4.36Å; F155-I158 WeakPolarHBondContact O-CA 3.41Å; F155-I158 WeakPolarHBondContact O-CB 3.38Å; F155-I158 PolarHBondContact O-N 3.21Å; Q156-I158 VanDerWaalsContact C-N 3.26Å; Q156-I158 PolarHBondContact O-N 3.38Å; I158-T162 HydrophobicContact CG2-CG2 4.36Å; I158-T162 WeakPolarHBondContact O-CB 3.43Å; I158-T162 VanDerWaalsContact O-CG2 3.3Å; I158-T162 WeakPolarHBondContact O-CG2 3.4Å; I158-T162 PolarHBondContact O-N 3.26Å; I158-T162 PolarHBondContact O-OG1 2.98Å; I158-F165 HydrophobicContact CG2-CE1 3.94Å; I158-F165 HydrophobicContact CG2-CZ 3.91Å; I158-I184 HydrophobicContact CG1-CD1 4.28Å; I158-V191 HydrophobicContact CG2-CG1 4.07Å; I158-V191 HydrophobicContact CG2-CG2 4.15Å; I158-F231 HydrophobicContact CD1-CD2 3.53Å; I158-F231 HydrophobicContact CD1-CE2 3.55Å; I158-F231 HydrophobicContact CD1-CG 4.47Å; I158-F231 HydrophobicContact CD1-CZ 4.48Å; I158-V240 HydrophobicContact CD1-CG2 3.65Å
159	I	93.5	Very high	86	Confident	45 Å²	45	71.2 Å²	71.2	23%	0.231	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-49.4	175.1	-62.8	171.1	0	0	0	110	F155 Q156 R163 N164 F165	F155-I159 HydrophobicContact CD1-CD1 3.88Å; F155-I159 HydrophobicContact CD1-CG1 4.35Å; F155-I159 HydrophobicContact CE1-CD1 3.74Å; F155-I159 HydrophobicContact CE1-CG1 4.12Å; F155-I159 HydrophobicContact CZ-CG1 4.47Å; F155-I159 PolarHBondContact O-N 2.88Å; Q156-I159 PolarHBondContact O-N 2.94Å; I159-R163 CarbonylContact O-C 3.55Å; I159-R163 PolarHBondContact O-N 3.41Å; I159-R163 VanDerWaalsContact O-N 3.15Å; I159-N164 HydrophobicContact CG2-CB 4.13Å; I159-N164 PolarHBondContact O-N 2.8Å; I159-F165 HydrophobicContact CG1-CE2 4.36Å
160	E	94.1	Very high	88	Confident	107 Å²	107	68.6 Å²	68.6	50%	0.5	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-53.8	-178.9	-71.8	164.8	173.4	0	0	112.1	Q156 T162 R163	Q156-E160 HydrophobicContact CG-CG 4.5Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.2Å; Q156-E160 PolarHBondContact NE2-OE1 2.71Å; Q156-E160 WeakPolarHBondContact O-CB 3.41Å; Q156-E160 WeakPolarHBondContact O-CG 3.33Å; Q156-E160 PolarHBondContact O-N 2.99Å; E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 2.6Å; E160-R163 PolarHBondContact O-N 3.48Å
161	G	93.8	Very high	90.4	Very high	20 Å²	20	64.5 Å²	64.5	21%	0.206	33%	0.328	C	S	.	.	H	α-helix	trans	-70.4	-21.2	-174.9	0	0	0	0	0	114.7	N157 F169	N157-G161 PolarHBondContact O-N 2.89Å; G161-F169 WeakPolarHBondContact O-CE1 3.17Å
162	T	94.7	Very high	92.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	0.9	171.3	64.2	0	0	0	0	113.2	I158 E160 N164 F165 H166 V182	I158-T162 HydrophobicContact CG2-CG2 4.36Å; I158-T162 WeakPolarHBondContact O-CB 3.43Å; I158-T162 VanDerWaalsContact O-CG2 3.3Å; I158-T162 WeakPolarHBondContact O-CG2 3.4Å; I158-T162 PolarHBondContact O-N 3.26Å; I158-T162 PolarHBondContact O-OG1 2.98Å; E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 2.6Å; T162-N164 VanDerWaalsContact C-N 3.33Å; T162-N164 PolarHBondContact O-N 3.03Å; T162-F165 PolarHBondContact O-N 3.28Å; T162-F165 PolarHBondContact OG1-N 3.19Å; T162-H166 PolarHBondContact O-N 2.9Å; T162-V182 HydrophobicContact CG2-CB 3.9Å; T162-V182 HydrophobicContact CG2-CG2 3.99Å
163	R	94.1	Very high	92.9	Very high	168 Å²	168	65.9 Å²	65.9	63%	0.634	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	48.5	-170.5	-56	-172	-173.1	152.7	0.1	113	I159 E160 H166 F169	I159-R163 CarbonylContact O-C 3.55Å; I159-R163 PolarHBondContact O-N 3.41Å; I159-R163 VanDerWaalsContact O-N 3.15Å; E160-R163 PolarHBondContact O-N 3.48Å; R163-H166 HydrophobicContact CB-CB 4.02Å; R163-F169 HydrophobicContact CB-CE2 4.25Å; R163-F169 HydrophobicContact CG-CE2 3.77Å; R163-F169 HydrophobicContact CG-CZ 4.05Å
164	N	93	Very high	92.6	Very high	102 Å²	102	66.7 Å²	66.7	55%	0.545	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	55.3	-171.6	-172.3	28.4	0	0	0	112.3	I159 T162 H166	I159-N164 HydrophobicContact CG2-CB 4.13Å; I159-N164 PolarHBondContact O-N 2.8Å; T162-N164 VanDerWaalsContact C-N 3.33Å; T162-N164 PolarHBondContact O-N 3.03Å; N164-H166 VanDerWaalsContact C-N 3.33Å; N164-H166 PolarHBondContact O-N 3.41Å
165	F	93.1	Very high	92.2	Very high	17 Å²	17	68.1 Å²	68.1	8%	0.075	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	40	176.7	-51.2	-85.6	0	0	0	113.1	F155 I158 I159 T162 Y180 L193 K236	F155-F165 HydrophobicContact CE2-CZ 4.29Å; F155-F165 HydrophobicContact CZ-CZ 4.33Å; I158-F165 HydrophobicContact CG2-CE1 3.94Å; I158-F165 HydrophobicContact CG2-CZ 3.91Å; I159-F165 HydrophobicContact CG1-CE2 4.36Å; T162-F165 PolarHBondContact O-N 3.28Å; T162-F165 PolarHBondContact OG1-N 3.19Å; F165-Y180 VanDerWaalsContact C-CE1 3.41Å; F165-Y180 HydrophobicContact CB-CE1 3.99Å; F165-Y180 HydrophobicContact CB-CE2 4.07Å; F165-Y180 AromaticContact CD1-CD2 3.95Å; F165-Y180 HydrophobicContact CD1-CD2 3.95Å; F165-Y180 HydrophobicContact CD1-CE2 4.04Å; F165-Y180 HydrophobicContact CD1-CG 4.31Å; F165-Y180 WeakPolarHBondContact O-CE1 2.98Å; F165-Y180 PolarHBondContact O-OH 3.37Å; F165-L193 HydrophobicContact CD1-CB 4.5Å; F165-L193 HydrophobicContact CD1-CD2 3.76Å; F165-L193 HydrophobicContact CE1-CB 4.4Å; F165-L193 HydrophobicContact CE1-CD1 4.11Å; F165-L193 HydrophobicContact CE1-CD2 4.08Å; F165-L193 HydrophobicContact CE1-CG 4.43Å; F165-L193 HydrophobicContact CG-CD2 4.06Å; F165-L193 HydrophobicContact CZ-CD1 4.32Å; F165-K236 VanDerWaalsContact CD2-NZ 3.33Å; F165-K236 HydrophobicContact CE2-CD 4.12Å; F165-K236 VanDerWaalsContact CE2-NZ 3.34Å
166	H	95.6	Very high	91.9	Very high	89 Å²	89	68.4 Å²	68.4	41%	0.412	34%	0.344	S	S	.	.			trans	-69.2	146	-179.2	-165	-106.9	0	0	0	112.1	T162 R163 N164 D168 F169 Y180	T162-H166 PolarHBondContact O-N 2.9Å; R163-H166 HydrophobicContact CB-CB 4.02Å; N164-H166 VanDerWaalsContact C-N 3.33Å; N164-H166 PolarHBondContact O-N 3.41Å; H166-D168 VanDerWaalsContact C-N 3.26Å; H166-D168 VanDerWaalsContact CE1-CG 3.47Å; H166-D168 IonicContact CE1-OD1 3.73Å; H166-D168 PolarHBondContact CE1-OD1 3.04Å; H166-D168 VanDerWaalsContact CE1-OD1 3.28Å; H166-D168 IonicContact CE1-OD2 3.92Å; H166-D168 PolarHBondContact CE1-OD2 2.9Å; H166-D168 IonicContact ND1-OD1 3.89Å; H166-D168 PolarHBondContact ND1-OD1 2.95Å; H166-D168 IonicContact ND1-OD2 3.72Å; H166-D168 PolarHBondContact ND1-OD2 2.9Å; H166-D168 PolarHBondContact O-N 3.26Å; H166-F169 HydrophobicContact CB-CD2 4.28Å; H166-F169 PolarHBondContact O-N 3.32Å; H166-Y180 WeakPolarHBondContact O-CE1 3.18Å
167	K	94.8	Very high	91.9	Very high	168 Å²	168	64.2 Å²	64.2	73%	0.73	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-62.3	-28	-170.6	-67.4	-165.7	175.1	-166.9	0	114.2	F169 L170	K167-F169 PolarHBondContact O-N 3.02Å; K167-F169 VanDerWaalsContact O-N 3.11Å; K167-L170 VanDerWaalsContact O-CB 3.3Å; K167-L170 WeakPolarHBondContact O-CB 3.47Å; K167-L170 PolarHBondContact O-N 3.28Å
168	D	96	Very high	91.9	Very high	116 Å²	116	64.9 Å²	64.9	62%	0.62	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-60.8	-20.4	175.9	-39.9	-28.4	0	0	0	113.2	H166	H166-D168 VanDerWaalsContact C-N 3.26Å; H166-D168 VanDerWaalsContact CE1-CG 3.47Å; H166-D168 IonicContact CE1-OD1 3.73Å; H166-D168 PolarHBondContact CE1-OD1 3.04Å; H166-D168 VanDerWaalsContact CE1-OD1 3.28Å; H166-D168 IonicContact CE1-OD2 3.92Å; H166-D168 PolarHBondContact CE1-OD2 2.9Å; H166-D168 IonicContact ND1-OD1 3.89Å; H166-D168 PolarHBondContact ND1-OD1 2.95Å; H166-D168 IonicContact ND1-OD2 3.72Å; H166-D168 PolarHBondContact ND1-OD2 2.9Å; H166-D168 PolarHBondContact O-N 3.26Å
169	F	95.6	Very high	92	Very high	47 Å²	47	66.6 Å²	66.6	21%	0.206	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-99.1	-2.6	179.7	-65.2	-96	0	0	0	112.6	G161 R163 H166 K167 I171 Y180 R181	G161-F169 WeakPolarHBondContact O-CE1 3.17Å; R163-F169 HydrophobicContact CB-CE2 4.25Å; R163-F169 HydrophobicContact CG-CE2 3.77Å; R163-F169 HydrophobicContact CG-CZ 4.05Å; H166-F169 HydrophobicContact CB-CD2 4.28Å; H166-F169 PolarHBondContact O-N 3.32Å; K167-F169 PolarHBondContact O-N 3.02Å; K167-F169 VanDerWaalsContact O-N 3.11Å; F169-I171 PolarHBondContact O-N 3.4Å; F169-Y180 HydrophobicContact CB-CD1 4.11Å; F169-Y180 CarbonylContact O-C 3.59Å; F169-Y180 VanDerWaalsContact O-CA 3.29Å; F169-Y180 WeakPolarHBondContact O-CA 3.34Å; F169-R181 PolarHBondContact O-N 2.93Å
170	L	96.1	Very high	92.1	Very high	60 Å²	60	65.1 Å²	65.1	31%	0.314	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	113.1	179	-174.1	70.2	0	0	0	109.9	K167 G172 E178 Y180	K167-L170 VanDerWaalsContact O-CB 3.3Å; K167-L170 WeakPolarHBondContact O-CB 3.47Å; K167-L170 PolarHBondContact O-N 3.28Å; L170-G172 WeakPolarHBondContact CD1-O 3.3Å; L170-E178 HydrophobicContact CD1-CB 4.04Å; L170-Y180 HydrophobicContact CB-CD1 4.34Å; L170-Y180 HydrophobicContact CB-CE1 4.08Å; L170-Y180 HydrophobicContact CD1-CD1 4.41Å; L170-Y180 HydrophobicContact CD1-CD2 4.35Å; L170-Y180 HydrophobicContact CD1-CE1 4.08Å; L170-Y180 HydrophobicContact CD1-CE2 4.02Å
171	I	93.6	Very high	92.2	Very high	82 Å²	82	65.2 Å²	65.2	42%	0.421	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-39.5	173.2	-58.3	160.3	0	0	0	110	F169 V179 R181 A190 Y243	F169-I171 PolarHBondContact O-N 3.4Å; I171-V179 WeakPolarHBondContact CA-O 3.01Å; I171-V179 WeakPolarHBondContact CB-O 3.09Å; I171-V179 HydrophobicContact CD1-CG1 4.21Å; I171-V179 PolarHBondContact N-O 2.99Å; I171-R181 HydrophobicContact CD1-CB 3.9Å; I171-R181 HydrophobicContact CG1-CB 3.89Å; I171-A190 HydrophobicContact CD1-CB 4.16Å; I171-Y243 HydrophobicContact CD1-CD2 4.08Å; I171-Y243 HydrophobicContact CD1-CE2 3.76Å; I171-Y243 HydrophobicContact CG1-CE2 4.4Å
172	G	89.3	Confident	92.3	Very high	29 Å²	29	64.3 Å²	64.3	30%	0.299	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.1	169.3	-178.3	0	0	0	0	0	113.9	L170 V179	L170-G172 WeakPolarHBondContact CD1-O 3.3Å; G172-V179 PolarHBondContact N-O 3.35Å; G172-V179 PolarHBondContact O-N 2.99Å
173	E	88.6	Confident	92.3	Very high	124 Å²	124	69.2 Å²	69.2	58%	0.579	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	125.9	-173	-169	-175.6	155.1	0	0	111.2	E178 K195	E173-E178 HydrophobicContact CG-CG 4.36Å; E173-K195 VanDerWaalsContact CG-NZ 3.26Å; E173-K195 IonicContact OE1-NZ 2.69Å; E173-K195 PolarHBondContact OE1-NZ 3.42Å
174	G	81.4	Confident	92.2	Very high	34 Å²	34	61.6 Å²	61.6	35%	0.351	31%	0.309	S	S	.	.			trans	-110.2	-176.4	176.9	0	0	0	0	0	113.3	I176 F177 K195	G174-I176 VanDerWaalsContact C-N 3.33Å; G174-I176 PolarHBondContact O-N 3.25Å; G174-F177 WeakPolarHBondContact CA-O 3.26Å; G174-F177 PolarHBondContact N-O 2.82Å; G174-K195 PolarHBondContact O-NZ 3.37Å
175	E	80.6	Confident	91.9	Very high	78 Å²	78	63 Å²	63	36%	0.364	31%	0.312	S	S	.	.	S	Bend	trans	-66.1	-35.5	178.1	-169.2	-178.8	145	0	0	112.2	R208 S334	E175-R208 IonicContact OE1-CZ 3.21Å; E175-R208 IonicContact OE1-NH1 3.86Å; E175-R208 PolarHBondContact OE1-NH1 3.31Å; E175-R208 IonicContact OE1-NH2 3.49Å; E175-R208 PolarHBondContact OE1-NH2 3.36Å; E175-R208 IonicContact OE2-NH2 2.82Å; E175-S334 WeakPolarHBondContact OE2-CA 3.46Å; E175-S334 WeakPolarHBondContact OE2-CB 3.47Å
176	I	84.4	Confident	91.6	Very high	12 Å²	12	70.1 Å²	70.1	6%	0.062	35%	0.351	C	S	.	.	S	Bend	trans	-115.9	-17.6	-172.2	-1.2	166.8	0	0	0	113.7	G174 F194 K195 H205 R208 A313	G174-I176 VanDerWaalsContact C-N 3.33Å; G174-I176 PolarHBondContact O-N 3.25Å; I176-F194 HydrophobicContact CG2-CD2 4.35Å; I176-F194 HydrophobicContact CG2-CE2 3.85Å; I176-K195 WeakPolarHBondContact O-CB 3.21Å; I176-K195 PolarHBondContact O-N 2.97Å; I176-H205 HydrophobicContact CG2-CB 3.52Å; I176-R208 HydrophobicContact CD1-CB 3.83Å; I176-R208 HydrophobicContact CD1-CG 4.39Å; I176-A313 HydrophobicContact CD1-CB 3.51Å
177	F	90.4	Very high	91.4	Very high	9 Å²	9	70.7 Å²	70.7	4%	0.039	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.6	-168.3	-66.1	-74.9	0	0	0	112.2	G174 K192 L193 F194 F209 E212 L239	G174-F177 WeakPolarHBondContact CA-O 3.26Å; G174-F177 PolarHBondContact N-O 2.82Å; F177-K192 HydrophobicContact CB-CB 4.2Å; F177-K192 HydrophobicContact CD1-CB 3.66Å; F177-K192 HydrophobicContact CD1-CD 4.44Å; F177-K192 HydrophobicContact CD2-CD 4.04Å; F177-K192 HydrophobicContact CE1-CB 4.09Å; F177-K192 HydrophobicContact CE2-CD 4.26Å; F177-K192 HydrophobicContact CG-CB 3.97Å; F177-K192 HydrophobicContact CG-CD 4.12Å; F177-K192 HydrophobicContact CG-CG 4.49Å; F177-L193 CarbonylContact C-O 3.56Å; F177-L193 VanDerWaalsContact CA-O 3.25Å; F177-L193 WeakPolarHBondContact CA-O 3.32Å; F177-F194 HydrophobicContact CD1-CB 4.28Å; F177-F194 HydrophobicContact CE1-CB 4.13Å; F177-F194 HydrophobicContact CE1-CD2 4.15Å; F177-F209 AromaticContact CE1-CD2 3.76Å; F177-F209 HydrophobicContact CE1-CD2 3.76Å; F177-F209 HydrophobicContact CE1-CE2 4.27Å; F177-F209 AromaticContact CZ-CD2 3.83Å; F177-F209 HydrophobicContact CZ-CD2 3.83Å; F177-E212 WeakPolarHBondContact CE2-OE2 3.39Å; F177-L239 HydrophobicContact CE1-CD1 4.33Å; F177-L239 HydrophobicContact CZ-CD1 4.04Å
178	E	93.1	Very high	91.4	Very high	56 Å²	56	64 Å²	64	26%	0.262	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.4	160	-65.9	169.1	173.7	0	0	107.4	L170 E173 Y180 K192 L193 K195	L170-E178 HydrophobicContact CD1-CB 4.04Å; E173-E178 HydrophobicContact CG-CG 4.36Å; E178-Y180 HydrophobicContact CB-CD2 4.23Å; E178-Y180 HydrophobicContact CB-CE2 3.59Å; E178-K192 CarbonylContact O-C 3.58Å; E178-K192 WeakPolarHBondContact O-CA 3.27Å; E178-L193 PolarHBondContact N-O 3.02Å; E178-L193 PolarHBondContact O-N 3.22Å; E178-K195 HydrophobicContact CG-CD 4.46Å; E178-K195 HydrophobicContact CG-CG 4.14Å
179	V	95.4	Very high	91.5	Very high	35 Å²	35	59.6 Å²	59.6	21%	0.212	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.7	-173.3	-164.9	0	0	0	0	109.7	I171 G172 A190 V191 K192	I171-V179 WeakPolarHBondContact CA-O 3.01Å; I171-V179 WeakPolarHBondContact CB-O 3.09Å; I171-V179 HydrophobicContact CD1-CG1 4.21Å; I171-V179 PolarHBondContact N-O 2.99Å; G172-V179 PolarHBondContact N-O 3.35Å; G172-V179 PolarHBondContact O-N 2.99Å; V179-A190 HydrophobicContact CG1-CB 4.26Å; V179-V191 WeakPolarHBondContact CA-O 3.48Å; V179-K192 HydrophobicContact CG1-CG 4.39Å; V179-K192 HydrophobicContact CG2-CG 4.22Å
180	Y	97.1	Very high	91.5	Very high	15 Å²	15	58.1 Å²	58.1	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141.3	-176	-71.5	-90.9	0	0	0	112.3	F165 H166 F169 L170 E178 A190 V191 L193	F165-Y180 VanDerWaalsContact C-CE1 3.41Å; F165-Y180 HydrophobicContact CB-CE1 3.99Å; F165-Y180 HydrophobicContact CB-CE2 4.07Å; F165-Y180 AromaticContact CD1-CD2 3.95Å; F165-Y180 HydrophobicContact CD1-CD2 3.95Å; F165-Y180 HydrophobicContact CD1-CE2 4.04Å; F165-Y180 HydrophobicContact CD1-CG 4.31Å; F165-Y180 WeakPolarHBondContact O-CE1 2.98Å; F165-Y180 PolarHBondContact O-OH 3.37Å; H166-Y180 WeakPolarHBondContact O-CE1 3.18Å; F169-Y180 HydrophobicContact CB-CD1 4.11Å; F169-Y180 CarbonylContact O-C 3.59Å; F169-Y180 VanDerWaalsContact O-CA 3.29Å; F169-Y180 WeakPolarHBondContact O-CA 3.34Å; L170-Y180 HydrophobicContact CB-CD1 4.34Å; L170-Y180 HydrophobicContact CB-CE1 4.08Å; L170-Y180 HydrophobicContact CD1-CD1 4.41Å; L170-Y180 HydrophobicContact CD1-CD2 4.35Å; L170-Y180 HydrophobicContact CD1-CE1 4.08Å; L170-Y180 HydrophobicContact CD1-CE2 4.02Å; E178-Y180 HydrophobicContact CB-CD2 4.23Å; E178-Y180 HydrophobicContact CB-CE2 3.59Å; Y180-A190 CarbonylContact O-C 3.52Å; Y180-A190 WeakPolarHBondContact O-CA 3.38Å; Y180-V191 PolarHBondContact N-O 2.96Å; Y180-V191 PolarHBondContact O-N 3.05Å; Y180-L193 HydrophobicContact CD2-CB 4.39Å; Y180-L193 HydrophobicContact CE2-CB 4.43Å; Y180-L193 HydrophobicContact CE2-CD2 4.24Å
181	R	96.6	Very high	91.5	Very high	108 Å²	108	55.2 Å²	55.2	41%	0.408	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	135.6	165.5	178.7	173.7	169.1	174.4	-5.1	108.7	F169 I171 E183 T188	F169-R181 PolarHBondContact O-N 2.93Å; I171-R181 HydrophobicContact CD1-CB 3.9Å; I171-R181 HydrophobicContact CG1-CB 3.89Å; R181-E183 IonicContact CZ-OE1 2.73Å; R181-E183 VanDerWaalsContact CZ-OE1 3.28Å; R181-E183 IonicContact NE-OE1 2.76Å; R181-E183 PolarHBondContact NE-OE1 3.46Å; R181-E183 VanDerWaalsContact NE-OE1 3.09Å; R181-E183 IonicContact NH2-OE1 3.77Å; R181-E183 PolarHBondContact NH2-OE1 2.88Å; R181-T188 HydrophobicContact CG-CG2 3.83Å
182	V	95.8	Very high	91.6	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.2	171.1	71.4	0	0	0	0	109.2	T162 I184 T188 Y189 V191	T162-V182 HydrophobicContact CG2-CB 3.9Å; T162-V182 HydrophobicContact CG2-CG2 3.99Å; V182-I184 HydrophobicContact CG1-CD1 4.04Å; V182-I184 HydrophobicContact CG1-CG1 4.24Å; V182-I184 HydrophobicContact CG2-CD1 4.05Å; V182-I184 HydrophobicContact CG2-CG1 3.85Å; V182-T188 WeakPolarHBondContact O-CA 3.43Å; V182-Y189 PolarHBondContact N-O 2.97Å; V182-Y189 PolarHBondContact O-N 3.44Å; V182-V191 HydrophobicContact CB-CG2 4.27Å; V182-V191 HydrophobicContact CG1-CG2 3.59Å
183	E	94.3	Very high	91.8	Very high	103 Å²	103	51.7 Å²	51.7	48%	0.481	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.2	173	-73.8	174.1	-168.2	0	0	109.3	R181 L187 T188	R181-E183 IonicContact CZ-OE1 2.73Å; R181-E183 VanDerWaalsContact CZ-OE1 3.28Å; R181-E183 IonicContact NE-OE1 2.76Å; R181-E183 PolarHBondContact NE-OE1 3.46Å; R181-E183 VanDerWaalsContact NE-OE1 3.09Å; R181-E183 IonicContact NH2-OE1 3.77Å; R181-E183 PolarHBondContact NH2-OE1 2.88Å; E183-L187 WeakPolarHBondContact CA-O 3.41Å; E183-T188 HydrophobicContact CG-CG2 3.97Å
184	I	91.7	Very high	91.9	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.046	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118.4	-173.7	-53.9	179.1	0	0	0	107	I153 N157 I158 V182 N186 L187 Y189	I153-I184 HydrophobicContact CG1-CD1 4.22Å; I153-I184 HydrophobicContact CG1-CG2 4.33Å; I153-I184 HydrophobicContact CG2-CD1 3.88Å; N157-I184 HydrophobicContact CB-CD1 4.05Å; N157-I184 HydrophobicContact CB-CG1 4.31Å; N157-I184 HydrophobicContact CB-CG2 4.11Å; I158-I184 HydrophobicContact CG1-CD1 4.28Å; V182-I184 HydrophobicContact CG1-CD1 4.04Å; V182-I184 HydrophobicContact CG1-CG1 4.24Å; V182-I184 HydrophobicContact CG2-CD1 4.05Å; V182-I184 HydrophobicContact CG2-CG1 3.85Å; I184-N186 VanDerWaalsContact C-N 3.3Å; I184-N186 PolarHBondContact O-N 3.29Å; I184-L187 PolarHBondContact N-O 2.86Å; I184-L187 PolarHBondContact O-N 3.42Å; I184-Y189 HydrophobicContact CB-CD2 4.29Å; I184-Y189 HydrophobicContact CB-CE2 4.12Å; I184-Y189 HydrophobicContact CD1-CD2 4.45Å; I184-Y189 HydrophobicContact CG1-CD2 4.43Å
185	Q	86.6	Confident	92.1	Very high	130 Å²	130	46.2 Å²	46.2	61%	0.607	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	46.5	177.5	-59.9	177.1	12.5	0	0	113	S152 L187	S152-Q185 PolarHBondContact OG-NE2 3.49Å; S152-Q185 PolarHBondContact OG-OE1 3.27Å; Q185-L187 PolarHBondContact O-N 3.01Å
186	N	86.8	Confident	91.9	Very high	167 Å²	167	47 Å²	47	89%	0.893	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	7.4	-176.8	-54.5	-20.3	0	0	0	116.1	I184	I184-N186 VanDerWaalsContact C-N 3.3Å; I184-N186 PolarHBondContact O-N 3.29Å
187	L	91.8	Very high	91	Very high	102 Å²	102	50.6 Å²	50.6	53%	0.534	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.7	172	-62.6	176.4	0	0	0	110.4	E183 I184 Q185 Y189	E183-L187 WeakPolarHBondContact CA-O 3.41Å; I184-L187 PolarHBondContact N-O 2.86Å; I184-L187 PolarHBondContact O-N 3.42Å; Q185-L187 PolarHBondContact O-N 3.01Å; L187-Y189 HydrophobicContact CB-CD2 4.41Å; L187-Y189 HydrophobicContact CB-CE2 3.56Å; L187-Y189 WeakPolarHBondContact CD1-OH 3.33Å; L187-Y189 WeakPolarHBondContact O-CD2 3.45Å
188	T	95.1	Very high	89.3	Confident	26 Å²	26	60.2 Å²	60.2	16%	0.16	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.5	177.2	-42.3	0	0	0	0	110	R181 V182 E183 Y243	R181-T188 HydrophobicContact CG-CG2 3.83Å; V182-T188 WeakPolarHBondContact O-CA 3.43Å; E183-T188 HydrophobicContact CG-CG2 3.97Å; T188-Y243 HydrophobicContact CG2-CD1 3.9Å; T188-Y243 HydrophobicContact CG2-CD2 4.4Å; T188-Y243 HydrophobicContact CG2-CG 3.74Å; T188-Y243 WeakPolarHBondContact O-CB 3.41Å; T188-Y243 PolarHBondContact O-N 3.5Å
189	Y	96.4	Very high	87.4	Confident	25 Å²	25	66.3 Å²	66.3	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.8	177.3	-59	-92.9	0	0	0	111.3	I153 V182 I184 L187 A228 V240 Y241	I153-Y189 HydrophobicContact CD1-CD1 4.31Å; I153-Y189 HydrophobicContact CD1-CD2 4.46Å; I153-Y189 HydrophobicContact CD1-CE1 3.84Å; I153-Y189 HydrophobicContact CD1-CE2 4Å; V182-Y189 PolarHBondContact N-O 2.97Å; V182-Y189 PolarHBondContact O-N 3.44Å; I184-Y189 HydrophobicContact CB-CD2 4.29Å; I184-Y189 HydrophobicContact CB-CE2 4.12Å; I184-Y189 HydrophobicContact CD1-CD2 4.45Å; I184-Y189 HydrophobicContact CG1-CD2 4.43Å; L187-Y189 HydrophobicContact CB-CD2 4.41Å; L187-Y189 HydrophobicContact CB-CE2 3.56Å; L187-Y189 WeakPolarHBondContact CD1-OH 3.33Å; L187-Y189 WeakPolarHBondContact O-CD2 3.45Å; Y189-A228 HydrophobicContact CD1-CB 4.29Å; Y189-A228 HydrophobicContact CE1-CB 4.04Å; Y189-V240 HydrophobicContact CD1-CG1 4Å; Y189-V240 HydrophobicContact CG-CG1 4.11Å; Y189-Y241 CarbonylContact C-O 3.6Å; Y189-Y241 WeakPolarHBondContact CA-O 3.47Å; Y189-Y241 VanDerWaalsContact CB-O 3.25Å; Y189-Y241 WeakPolarHBondContact CB-O 3.42Å; Y189-Y241 WeakPolarHBondContact CD1-O 3.39Å
190	A	97.1	Very high	85	Confident	15 Å²	15	73.4 Å²	73.4	12%	0.124	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	166.2	0	0	0	0	0	109.2	I171 V179 Y180 Y241 Y243	I171-A190 HydrophobicContact CD1-CB 4.16Å; V179-A190 HydrophobicContact CG1-CB 4.26Å; Y180-A190 CarbonylContact O-C 3.52Å; Y180-A190 WeakPolarHBondContact O-CA 3.38Å; A190-Y241 PolarHBondContact N-O 3.09Å; A190-Y241 PolarHBondContact O-N 2.84Å; A190-Y243 HydrophobicContact CB-CD2 4.33Å
191	V	96	Very high	83.1	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.8	178.8	-178.5	0	0	0	0	108.8	I158 V179 Y180 V182 L193 C238 L239 V240	I158-V191 HydrophobicContact CG2-CG1 4.07Å; I158-V191 HydrophobicContact CG2-CG2 4.15Å; V179-V191 WeakPolarHBondContact CA-O 3.48Å; Y180-V191 PolarHBondContact N-O 2.96Å; Y180-V191 PolarHBondContact O-N 3.05Å; V182-V191 HydrophobicContact CB-CG2 4.27Å; V182-V191 HydrophobicContact CG1-CG2 3.59Å; V191-L193 PolarHBondContact O-N 3.42Å; V191-C238 HydrophobicContact CG1-CB 3.76Å; V191-L239 CarbonylContact C-O 3.57Å; V191-L239 WeakPolarHBondContact CA-O 3.48Å; V191-V240 HydrophobicContact CG2-CG1 4.3Å; V191-V240 HydrophobicContact CG2-CG2 4.3Å
192	K	94.6	Very high	81.6	Confident	22 Å²	22	74 Å²	74	10%	0.096	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	102.8	167.7	-66.4	-167.8	-172.5	177.2	0	108.7	F177 E178 V179 E212 C238 L239 Y241	F177-K192 HydrophobicContact CB-CB 4.2Å; F177-K192 HydrophobicContact CD1-CB 3.66Å; F177-K192 HydrophobicContact CD1-CD 4.44Å; F177-K192 HydrophobicContact CD2-CD 4.04Å; F177-K192 HydrophobicContact CE1-CB 4.09Å; F177-K192 HydrophobicContact CE2-CD 4.26Å; F177-K192 HydrophobicContact CG-CB 3.97Å; F177-K192 HydrophobicContact CG-CD 4.12Å; F177-K192 HydrophobicContact CG-CG 4.49Å; E178-K192 CarbonylContact O-C 3.58Å; E178-K192 WeakPolarHBondContact O-CA 3.27Å; V179-K192 HydrophobicContact CG1-CG 4.39Å; V179-K192 HydrophobicContact CG2-CG 4.22Å; K192-E212 WeakPolarHBondContact CD-OE1 3.43Å; K192-E212 WeakPolarHBondContact CE-OE1 3.27Å; K192-E212 IonicContact NZ-OE1 2.87Å; K192-E212 PolarHBondContact NZ-OE1 3.25Å; K192-E212 IonicContact NZ-OE2 3.3Å; K192-E212 PolarHBondContact NZ-OE2 2.75Å; K192-C238 CarbonylContact O-C 3.57Å; K192-C238 WeakPolarHBondContact O-CA 3.49Å; K192-C238 WeakPolarHBondContact O-CB 3.48Å; K192-L239 HydrophobicContact CB-CB 4.38Å; K192-L239 PolarHBondContact N-O 3.37Å; K192-L239 PolarHBondContact O-N 3.49Å; K192-Y241 HydrophobicContact CB-CE2 4.39Å; K192-Y241 HydrophobicContact CD-CE2 3.78Å; K192-Y241 HydrophobicContact CG-CD2 4.22Å; K192-Y241 HydrophobicContact CG-CE2 3.83Å
193	L	93.3	Very high	80.7	Confident	15 Å²	15	80.2 Å²	80.2	8%	0.079	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.7	171.6	178.7	67.8	0	0	0	109.8	F165 F177 E178 Y180 V191 K236 C238	F165-L193 HydrophobicContact CD1-CB 4.5Å; F165-L193 HydrophobicContact CD1-CD2 3.76Å; F165-L193 HydrophobicContact CE1-CB 4.4Å; F165-L193 HydrophobicContact CE1-CD1 4.11Å; F165-L193 HydrophobicContact CE1-CD2 4.08Å; F165-L193 HydrophobicContact CE1-CG 4.43Å; F165-L193 HydrophobicContact CG-CD2 4.06Å; F165-L193 HydrophobicContact CZ-CD1 4.32Å; F177-L193 CarbonylContact C-O 3.56Å; F177-L193 VanDerWaalsContact CA-O 3.25Å; F177-L193 WeakPolarHBondContact CA-O 3.32Å; E178-L193 PolarHBondContact N-O 3.02Å; E178-L193 PolarHBondContact O-N 3.22Å; Y180-L193 HydrophobicContact CD2-CB 4.39Å; Y180-L193 HydrophobicContact CE2-CB 4.43Å; Y180-L193 HydrophobicContact CE2-CD2 4.24Å; V191-L193 PolarHBondContact O-N 3.42Å; L193-K236 HydrophobicContact CD1-CB 4.24Å; L193-K236 HydrophobicContact CD1-CD 4.28Å; L193-K236 HydrophobicContact CD1-CG 4.36Å; L193-C238 HydrophobicContact CD1-CB 4.3Å
194	F	90.8	Very high	79.8	Confident	9 Å²	9	79.7 Å²	79.7	4%	0.039	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.6	-178.5	179.1	-106.3	0	0	0	112.5	I176 F177 Q196 H205 W206 F209 F237	I176-F194 HydrophobicContact CG2-CD2 4.35Å; I176-F194 HydrophobicContact CG2-CE2 3.85Å; F177-F194 HydrophobicContact CD1-CB 4.28Å; F177-F194 HydrophobicContact CE1-CB 4.13Å; F177-F194 HydrophobicContact CE1-CD2 4.15Å; F194-Q196 HydrophobicContact CD1-CG 3.77Å; F194-Q196 HydrophobicContact CE1-CG 4.01Å; F194-Q196 PolarHBondContact O-N 3.31Å; F194-H205 HydrophobicContact CE2-CB 3.87Å; F194-H205 WeakPolarHBondContact CE2-O 3.42Å; F194-H205 HydrophobicContact CZ-CB 3.74Å; F194-W206 HydrophobicContact CE1-CE3 4.12Å; F194-W206 HydrophobicContact CZ-CE3 4.2Å; F194-F209 HydrophobicContact CB-CD2 4.16Å; F194-F209 HydrophobicContact CB-CE2 4.4Å; F194-F209 HydrophobicContact CD2-CB 3.88Å; F194-F209 AromaticContact CD2-CD2 3.85Å; F194-F209 HydrophobicContact CD2-CD2 3.85Å; F194-F209 HydrophobicContact CD2-CG 4.15Å; F194-F209 HydrophobicContact CE2-CB 3.75Å; F194-F209 HydrophobicContact CE2-CG 4.41Å; F194-F209 HydrophobicContact CG-CD2 4.14Å; F194-F237 HydrophobicContact CB-CB 3.96Å; F194-F237 VanDerWaalsContact CB-O 3.3Å; F194-F237 WeakPolarHBondContact CB-O 3.33Å; F194-F237 HydrophobicContact CD1-CB 4.5Å; F194-F237 HydrophobicContact CD1-CD2 4.06Å; F194-F237 PolarHBondContact N-O 3.21Å
195	K	86.9	Confident	79.4	Confident	33 Å²	33	79.4 Å²	79.4	14%	0.143	38%	0.38	C	S	.	.			trans	-76.7	108.8	-179.4	-72.8	-179.7	163.1	-173.3	0	112.4	E173 G174 I176 E178 E197	E173-K195 VanDerWaalsContact CG-NZ 3.26Å; E173-K195 IonicContact OE1-NZ 2.69Å; E173-K195 PolarHBondContact OE1-NZ 3.42Å; G174-K195 PolarHBondContact O-NZ 3.37Å; I176-K195 WeakPolarHBondContact O-CB 3.21Å; I176-K195 PolarHBondContact O-N 2.97Å; E178-K195 HydrophobicContact CG-CD 4.46Å; E178-K195 HydrophobicContact CG-CG 4.14Å; K195-E197 PolarHBondContact O-N 3.33Å
196	Q	75.4	Confident	79.3	Confident	95 Å²	95	74.8 Å²	74.8	44%	0.444	36%	0.357	S	S	.	.			trans	-92.2	85.3	176.5	-66.4	-172.8	34.8	0	0	112.5	F194 E235 F237	F194-Q196 HydrophobicContact CD1-CG 3.77Å; F194-Q196 HydrophobicContact CE1-CG 4.01Å; F194-Q196 PolarHBondContact O-N 3.31Å; Q196-E235 PolarHBondContact NE2-O 3.46Å; Q196-E235 PolarHBondContact OE1-O 2.86Å; Q196-F237 VanDerWaalsContact NE2-CD2 3.32Å
197	E	66.7	Low	79.2	Confident	88 Å²	88	74.4 Å²	74.4	41%	0.411	35%	0.348	S	S	.	.			trans	-74.9	143.6	175	-65.2	-176.6	159.9	0	0	112.7	K195 K199 Q201 H205	K195-E197 PolarHBondContact O-N 3.33Å; E197-K199 PolarHBondContact O-N 2.85Å; E197-Q201 WeakPolarHBondContact OE2-CB 3.32Å; E197-Q201 WeakPolarHBondContact OE2-CG 3.25Å; E197-H205 IonicContact OE2-CE1 2.89Å
198	K	53.2	Low	78.9	Confident	211 Å²	211	70.7 Å²	70.7	92%	0.917	33%	0.326	S	S	*	.	S	Bend	trans	-76.3	85.5	-176.2	-67.4	-177.4	179	179.1	0	112.1
199	K	53.3	Low	78.6	Confident	183 Å²	183	69.5 Å²	69.5	80%	0.796	32%	0.319	S	S	*	.	S	Bend	trans	88.5	161.6	173.1	-58.8	-174	175.4	-177.2	0	117.1	E197 Q201	E197-K199 PolarHBondContact O-N 2.85Å; K199-Q201 VanDerWaalsContact C-N 3.28Å; K199-Q201 PolarHBondContact O-N 3.36Å
200	M	44.7	Very low	78.2	Confident	184 Å²	184	71.7 Å²	71.7	91%	0.906	33%	0.332	S	S	*	.	S	Bend	trans	60.2	-58.6	177.2	-138.1	65.2	161.7	0	0	117	C202	M200-C202 VanDerWaalsContact C-N 3.26Å; M200-C202 PolarHBondContact O-N 2.96Å
201	Q	57.6	Low	77.8	Confident	82 Å²	82	71.7 Å²	71.7	38%	0.383	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-34.1	-179.7	-71.7	-84.5	79.4	0	0	112.4	E197 K199 K203 K204 H205	E197-Q201 WeakPolarHBondContact OE2-CB 3.32Å; E197-Q201 WeakPolarHBondContact OE2-CG 3.25Å; K199-Q201 VanDerWaalsContact C-N 3.28Å; K199-Q201 PolarHBondContact O-N 3.36Å; Q201-K203 PolarHBondContact O-N 3.04Å; Q201-K204 WeakPolarHBondContact O-CB 3.42Å; Q201-K204 PolarHBondContact O-N 3.43Å; Q201-H205 PolarHBondContact O-N 3.16Å
202	C	66.1	Low	77.5	Confident	55 Å²	55	71.7 Å²	71.7	37%	0.372	33%	0.331	S	S	.	.	H	α-helix	trans	-50.2	-44.5	-175.4	-176.1	0	0	0	0	114.1	M200 K204 H205 W206	M200-C202 VanDerWaalsContact C-N 3.26Å; M200-C202 PolarHBondContact O-N 2.96Å; C202-K204 VanDerWaalsContact C-N 3.26Å; C202-K204 PolarHBondContact O-N 3.08Å; C202-H205 PolarHBondContact O-N 3.01Å; C202-W206 WeakPolarHBondContact O-CB 3.2Å; C202-W206 PolarHBondContact O-N 3.5Å
203	K	75.4	Confident	77.3	Confident	131 Å²	131	71.5 Å²	71.5	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-65.6	-23	179	-75.1	-168.1	178.5	-176	0	113.8	D135 Q201	D135-K203 IonicContact OD2-NZ 2.71Å; D135-K203 PolarHBondContact OD2-NZ 3.38Å; Q201-K203 PolarHBondContact O-N 3.04Å
204	K	77.4	Confident	77.1	Confident	91 Å²	91	75.3 Å²	75.3	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-83	-49.7	170.6	-76.8	-175.6	171.2	-175.6	0	111.3	Q201 C202 W206 K207 R208 T331	Q201-K204 WeakPolarHBondContact O-CB 3.42Å; Q201-K204 PolarHBondContact O-N 3.43Å; C202-K204 VanDerWaalsContact C-N 3.26Å; C202-K204 PolarHBondContact O-N 3.08Å; K204-W206 VanDerWaalsContact C-N 3.28Å; K204-W206 PolarHBondContact O-N 2.96Å; K204-K207 PolarHBondContact O-N 2.79Å; K204-R208 PolarHBondContact O-N 3.11Å; K204-R208 VanDerWaalsContact O-N 3.15Å; K204-T331 PolarHBondContact NZ-O 3.33Å; K204-T331 PolarHBondContact NZ-OG1 3.39Å
205	H	82.7	Confident	77.1	Confident	3 Å²	3	75 Å²	75	1%	0.014	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-39.7	-178.5	-71.3	-166.7	0	0	0	111.4	I176 F194 E197 Q201 C202 R208 F209	I176-H205 HydrophobicContact CG2-CB 3.52Å; F194-H205 HydrophobicContact CE2-CB 3.87Å; F194-H205 WeakPolarHBondContact CE2-O 3.42Å; F194-H205 HydrophobicContact CZ-CB 3.74Å; E197-H205 IonicContact OE2-CE1 2.89Å; Q201-H205 PolarHBondContact O-N 3.16Å; C202-H205 PolarHBondContact O-N 3.01Å; H205-R208 WeakPolarHBondContact O-CB 3.36Å; H205-R208 PolarHBondContact O-N 3.02Å; H205-F209 PolarHBondContact O-N 3.17Å
206	W	84.4	Confident	77.2	Confident	33 Å²	33	73.7 Å²	73.7	13%	0.125	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-40.3	175.7	-172.4	-116.6	0	0	0	113.1	F194 C202 K204 R208 F209 L210 F237	F194-W206 HydrophobicContact CE1-CE3 4.12Å; F194-W206 HydrophobicContact CZ-CE3 4.2Å; C202-W206 WeakPolarHBondContact O-CB 3.2Å; C202-W206 PolarHBondContact O-N 3.5Å; K204-W206 VanDerWaalsContact C-N 3.28Å; K204-W206 PolarHBondContact O-N 2.96Å; W206-R208 VanDerWaalsContact C-N 3.31Å; W206-R208 PolarHBondContact O-N 3.17Å; W206-F209 HydrophobicContact CD2-CD1 4.49Å; W206-F209 HydrophobicContact CE3-CB 4.29Å; W206-F209 AromaticContact CE3-CD1 3.77Å; W206-F209 HydrophobicContact CE3-CD1 3.77Å; W206-F209 HydrophobicContact CE3-CE1 4.46Å; W206-F209 HydrophobicContact CE3-CG 4.18Å; W206-F209 AromaticContact CH2-CD1 3.81Å; W206-F209 HydrophobicContact CH2-CD1 3.81Å; W206-F209 AromaticContact CH2-CE1 3.76Å; W206-F209 HydrophobicContact CH2-CE1 3.76Å; W206-F209 AromaticContact CZ3-CD1 3.37Å; W206-F209 HydrophobicContact CZ3-CD1 3.37Å; W206-F209 AromaticContact CZ3-CE1 3.63Å; W206-F209 HydrophobicContact CZ3-CE1 3.63Å; W206-F209 HydrophobicContact CZ3-CG 4.05Å; W206-F209 HydrophobicContact CZ3-CZ 4.46Å; W206-F209 PolarHBondContact O-N 2.78Å; W206-L210 HydrophobicContact CD2-CG 4.47Å; W206-L210 HydrophobicContact CZ2-CD2 4.01Å; W206-L210 HydrophobicContact CZ2-CG 4.4Å; W206-L210 WeakPolarHBondContact O-CG 3.32Å; W206-L210 PolarHBondContact O-N 3.35Å; W206-F237 HydrophobicContact CE3-CD2 4.5Å; W206-F237 AromaticContact CH2-CD1 3.78Å; W206-F237 HydrophobicContact CH2-CD1 3.78Å; W206-F237 HydrophobicContact CH2-CD2 4.25Å; W206-F237 AromaticContact CH2-CE1 3.65Å; W206-F237 HydrophobicContact CH2-CE1 3.65Å; W206-F237 HydrophobicContact CH2-CE2 4.14Å; W206-F237 HydrophobicContact CH2-CG 4.09Å; W206-F237 AromaticContact CH2-CZ 3.85Å; W206-F237 HydrophobicContact CH2-CZ 3.85Å; W206-F237 HydrophobicContact CZ3-CB 4.38Å; W206-F237 AromaticContact CZ3-CD1 3.89Å; W206-F237 HydrophobicContact CZ3-CD1 3.89Å; W206-F237 AromaticContact CZ3-CD2 3.63Å; W206-F237 HydrophobicContact CZ3-CD2 3.63Å; W206-F237 HydrophobicContact CZ3-CE1 4.05Å; W206-F237 AromaticContact CZ3-CE2 3.8Å; W206-F237 HydrophobicContact CZ3-CE2 3.8Å; W206-F237 AromaticContact CZ3-CG 3.7Å; W206-F237 HydrophobicContact CZ3-CG 3.7Å; W206-F237 HydrophobicContact CZ3-CZ 4.01Å
207	K	85.3	Confident	77.8	Confident	160 Å²	160	72.1 Å²	72.1	70%	0.696	34%	0.336	S	S	*	.	H	α-helix	trans	-62.8	-37.9	173.5	-76.4	-169.5	173.8	-160.4	0	112.3	K204 S211	K204-K207 PolarHBondContact O-N 2.79Å; K207-S211 WeakPolarHBondContact O-CB 3.24Å; K207-S211 PolarHBondContact O-N 2.81Å
208	R	85.3	Confident	78.9	Confident	23 Å²	23	72.9 Å²	72.9	9%	0.087	34%	0.343	C	S	.	.	H	α-helix	trans	-66.2	-42.7	173.7	-66.6	-158.5	-172.1	127	-18.7	112.2	E175 I176 K204 H205 W206 S211 E212 A313 S332	E175-R208 IonicContact OE1-CZ 3.21Å; E175-R208 IonicContact OE1-NH1 3.86Å; E175-R208 PolarHBondContact OE1-NH1 3.31Å; E175-R208 IonicContact OE1-NH2 3.49Å; E175-R208 PolarHBondContact OE1-NH2 3.36Å; E175-R208 IonicContact OE2-NH2 2.82Å; I176-R208 HydrophobicContact CD1-CB 3.83Å; I176-R208 HydrophobicContact CD1-CG 4.39Å; K204-R208 PolarHBondContact O-N 3.11Å; K204-R208 VanDerWaalsContact O-N 3.15Å; H205-R208 WeakPolarHBondContact O-CB 3.36Å; H205-R208 PolarHBondContact O-N 3.02Å; W206-R208 VanDerWaalsContact C-N 3.31Å; W206-R208 PolarHBondContact O-N 3.17Å; R208-S211 PolarHBondContact O-N 3.03Å; R208-E212 PolarHBondContact O-N 3.02Å; R208-A313 WeakPolarHBondContact CA-O 3.24Å; R208-A313 HydrophobicContact CB-CB 4.11Å; R208-A313 WeakPolarHBondContact CB-O 3.45Å; R208-A313 VanDerWaalsContact CG-O 3.24Å; R208-A313 WeakPolarHBondContact CG-O 3.24Å; R208-S332 PolarHBondContact NH2-O 3.25Å
209	F	87.9	Confident	80.7	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.009	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-46.9	174.4	173.6	-89.5	0	0	0	112	F177 F194 H205 W206 E212 L213 F237 L239	F177-F209 AromaticContact CE1-CD2 3.76Å; F177-F209 HydrophobicContact CE1-CD2 3.76Å; F177-F209 HydrophobicContact CE1-CE2 4.27Å; F177-F209 AromaticContact CZ-CD2 3.83Å; F177-F209 HydrophobicContact CZ-CD2 3.83Å; F194-F209 HydrophobicContact CB-CD2 4.16Å; F194-F209 HydrophobicContact CB-CE2 4.4Å; F194-F209 HydrophobicContact CD2-CB 3.88Å; F194-F209 AromaticContact CD2-CD2 3.85Å; F194-F209 HydrophobicContact CD2-CD2 3.85Å; F194-F209 HydrophobicContact CD2-CG 4.15Å; F194-F209 HydrophobicContact CE2-CB 3.75Å; F194-F209 HydrophobicContact CE2-CG 4.41Å; F194-F209 HydrophobicContact CG-CD2 4.14Å; H205-F209 PolarHBondContact O-N 3.17Å; W206-F209 HydrophobicContact CD2-CD1 4.49Å; W206-F209 HydrophobicContact CE3-CB 4.29Å; W206-F209 AromaticContact CE3-CD1 3.77Å; W206-F209 HydrophobicContact CE3-CD1 3.77Å; W206-F209 HydrophobicContact CE3-CE1 4.46Å; W206-F209 HydrophobicContact CE3-CG 4.18Å; W206-F209 AromaticContact CH2-CD1 3.81Å; W206-F209 HydrophobicContact CH2-CD1 3.81Å; W206-F209 AromaticContact CH2-CE1 3.76Å; W206-F209 HydrophobicContact CH2-CE1 3.76Å; W206-F209 AromaticContact CZ3-CD1 3.37Å; W206-F209 HydrophobicContact CZ3-CD1 3.37Å; W206-F209 AromaticContact CZ3-CE1 3.63Å; W206-F209 HydrophobicContact CZ3-CE1 3.63Å; W206-F209 HydrophobicContact CZ3-CG 4.05Å; W206-F209 HydrophobicContact CZ3-CZ 4.46Å; W206-F209 PolarHBondContact O-N 2.78Å; F209-E212 PolarHBondContact O-N 3.28Å; F209-L213 HydrophobicContact CE1-CD2 4.11Å; F209-L213 HydrophobicContact CZ-CD2 4.48Å; F209-L213 WeakPolarHBondContact O-CB 3.13Å; F209-L213 PolarHBondContact O-N 3.27Å; F209-F237 HydrophobicContact CE1-CB 4.45Å; F209-F237 HydrophobicContact CE2-CB 3.89Å; F209-F237 HydrophobicContact CZ-CB 3.81Å; F209-L239 HydrophobicContact CD2-CD1 4.48Å; F209-L239 HydrophobicContact CE2-CD1 4.22Å; F209-L239 HydrophobicContact CE2-CD2 3.84Å; F209-L239 HydrophobicContact CE2-CG 3.87Å; F209-L239 HydrophobicContact CZ-CD2 3.93Å; F209-L239 HydrophobicContact CZ-CG 4.47Å
210	L	88.4	Confident	82.7	Confident	71 Å²	71	60.4 Å²	60.4	37%	0.372	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-42.1	176.2	-69.9	178.4	0	0	0	111.8	W206 E212 L213 E214	W206-L210 HydrophobicContact CD2-CG 4.47Å; W206-L210 HydrophobicContact CZ2-CD2 4.01Å; W206-L210 HydrophobicContact CZ2-CG 4.4Å; W206-L210 WeakPolarHBondContact O-CG 3.32Å; W206-L210 PolarHBondContact O-N 3.35Å; L210-E212 PolarHBondContact O-N 3.19Å; L210-L213 PolarHBondContact O-N 2.96Å; L210-E214 WeakPolarHBondContact O-CB 3.48Å; L210-E214 PolarHBondContact O-N 2.95Å
211	S	88.4	Confident	85.1	Confident	15 Å²	15	53.8 Å²	53.8	11%	0.105	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-42.8	176.3	-170.7	0	0	0	0	112.3	K207 R208 V215 F312 A315	K207-S211 WeakPolarHBondContact O-CB 3.24Å; K207-S211 PolarHBondContact O-N 2.81Å; R208-S211 PolarHBondContact O-N 3.03Å; S211-V215 WeakPolarHBondContact O-CG2 3.4Å; S211-V215 PolarHBondContact O-N 3.5Å; S211-F312 PolarHBondContact OG-O 3.17Å; S211-A315 PolarHBondContact OG-O 3.33Å
212	E	89.7	Confident	87	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-47.3	175.2	-172.3	173.7	146.7	0	0	111.4	F177 K192 R208 F209 L210 L216 L239 Y241	F177-E212 WeakPolarHBondContact CE2-OE2 3.39Å; K192-E212 WeakPolarHBondContact CD-OE1 3.43Å; K192-E212 WeakPolarHBondContact CE-OE1 3.27Å; K192-E212 IonicContact NZ-OE1 2.87Å; K192-E212 PolarHBondContact NZ-OE1 3.25Å; K192-E212 IonicContact NZ-OE2 3.3Å; K192-E212 PolarHBondContact NZ-OE2 2.75Å; R208-E212 PolarHBondContact O-N 3.02Å; F209-E212 PolarHBondContact O-N 3.28Å; L210-E212 PolarHBondContact O-N 3.19Å; E212-L216 HydrophobicContact CG-CD1 3.79Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 VanDerWaalsContact O-CD1 3.27Å; E212-L216 WeakPolarHBondContact O-CD1 3.49Å; E212-L216 WeakPolarHBondContact O-CG 2.99Å; E212-L216 PolarHBondContact O-N 3.36Å; E212-L239 HydrophobicContact CB-CD1 4.4Å; E212-L239 HydrophobicContact CG-CD1 3.98Å; E212-L239 WeakPolarHBondContact OE1-CD1 3.44Å; E212-Y241 PolarHBondContact OE1-OH 3.15Å
213	L	90.1	Very high	88.6	Confident	18 Å²	18	52.8 Å²	52.8	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-41.8	179.8	-178	61.2	0	0	0	112.9	F209 L210 L216 L217 L227 Y230 L239	F209-L213 HydrophobicContact CE1-CD2 4.11Å; F209-L213 HydrophobicContact CZ-CD2 4.48Å; F209-L213 WeakPolarHBondContact O-CB 3.13Å; F209-L213 PolarHBondContact O-N 3.27Å; L210-L213 PolarHBondContact O-N 2.96Å; L213-L216 PolarHBondContact O-N 3.12Å; L213-L217 HydrophobicContact CD1-CD1 3.73Å; L213-L217 HydrophobicContact CD1-CG 3.94Å; L213-L217 HydrophobicContact CG-CD1 3.81Å; L213-L217 HydrophobicContact CG-CG 4.37Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.11Å; L213-L217 PolarHBondContact O-N 2.8Å; L213-L227 HydrophobicContact CD1-CD2 3.66Å; L213-Y230 HydrophobicContact CD1-CD1 3.95Å; L213-Y230 HydrophobicContact CD1-CD2 4.44Å; L213-Y230 HydrophobicContact CD1-CE1 4.43Å; L213-Y230 HydrophobicContact CD1-CG 3.96Å; L213-Y230 HydrophobicContact CD2-CD2 4.39Å; L213-Y230 HydrophobicContact CD2-CE2 4.47Å; L213-L239 HydrophobicContact CD1-CD2 3.92Å
214	E	90.1	Very high	89.6	Confident	95 Å²	95	47 Å²	47	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-65.2	-47.3	-177.8	-170	-178.7	-170.6	0	0	111.5	L210 L216 L217 L218 F317	L210-E214 WeakPolarHBondContact O-CB 3.48Å; L210-E214 PolarHBondContact O-N 2.95Å; E214-L216 VanDerWaalsContact C-N 3.31Å; E214-L216 PolarHBondContact O-N 2.88Å; E214-L217 PolarHBondContact O-N 3.07Å; E214-L218 HydrophobicContact CG-CD1 3.9Å; E214-L218 WeakPolarHBondContact O-CB 3.46Å; E214-L218 VanDerWaalsContact O-CG 3.28Å; E214-L218 WeakPolarHBondContact O-CG 3.31Å; E214-L218 PolarHBondContact O-N 3.4Å; E214-L218 VanDerWaalsContact O-N 3.12Å; E214-F317 HydrophobicContact CB-CE2 4.47Å; E214-F317 HydrophobicContact CB-CZ 4.43Å; E214-F317 VanDerWaalsContact CD-CE2 3.5Å; E214-F317 HydrophobicContact CG-CE2 3.97Å; E214-F317 HydrophobicContact CG-CZ 3.73Å; E214-F317 WeakPolarHBondContact OE2-CE2 3.49Å
215	V	89.4	Confident	90.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-40.3	176.7	171.5	0	0	0	0	111.4	S211 F219 L281 V289 F312 A315 F317	S211-V215 WeakPolarHBondContact O-CG2 3.4Å; S211-V215 PolarHBondContact O-N 3.5Å; V215-F219 HydrophobicContact CG1-CD2 4.16Å; V215-F219 WeakPolarHBondContact O-CB 3.38Å; V215-F219 WeakPolarHBondContact O-CD2 3.5Å; V215-F219 PolarHBondContact O-N 3.47Å; V215-L281 HydrophobicContact CG1-CD2 4.4Å; V215-V289 HydrophobicContact CG2-CG1 4.06Å; V215-F312 HydrophobicContact CB-CB 3.95Å; V215-F312 HydrophobicContact CB-CG 4.18Å; V215-F312 HydrophobicContact CG1-CB 3.96Å; V215-F312 HydrophobicContact CG1-CD1 3.82Å; V215-F312 HydrophobicContact CG1-CD2 4.01Å; V215-F312 HydrophobicContact CG1-CE1 4.35Å; V215-F312 HydrophobicContact CG1-CG 3.63Å; V215-F312 HydrophobicContact CG2-CB 4.28Å; V215-A315 HydrophobicContact CG2-CB 3.88Å; V215-F317 HydrophobicContact CG2-CE2 4.11Å; V215-F317 HydrophobicContact CG2-CZ 4.02Å
216	L	90	Very high	91	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-75.5	-30	-177.2	-70.9	169.6	0	0	0	114.3	E212 L213 E214 H220 I224 L225 L227 Y241 F312	E212-L216 HydrophobicContact CG-CD1 3.79Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 VanDerWaalsContact O-CD1 3.27Å; E212-L216 WeakPolarHBondContact O-CD1 3.49Å; E212-L216 WeakPolarHBondContact O-CG 2.99Å; E212-L216 PolarHBondContact O-N 3.36Å; L213-L216 PolarHBondContact O-N 3.12Å; E214-L216 VanDerWaalsContact C-N 3.31Å; E214-L216 PolarHBondContact O-N 2.88Å; L216-H220 PolarHBondContact O-CE1 3.49Å; L216-H220 PolarHBondContact O-ND1 2.94Å; L216-I224 HydrophobicContact CD2-CG2 4.12Å; L216-L225 VanDerWaalsContact CD2-O 3.26Å; L216-L225 WeakPolarHBondContact CD2-O 3.49Å; L216-L227 HydrophobicContact CB-CB 4.15Å; L216-L227 HydrophobicContact CB-CD2 4.33Å; L216-L227 HydrophobicContact CD1-CB 4.46Å; L216-Y241 HydrophobicContact CD1-CE1 3.73Å; L216-Y241 WeakPolarHBondContact CD1-OH 3.3Å; L216-F312 HydrophobicContact CD2-CD2 3.87Å; L216-F312 HydrophobicContact CD2-CE2 3.82Å; L216-F312 HydrophobicContact CG-CD2 4.05Å
217	L	88.6	Confident	91.4	Very high	62 Å²	62	47.3 Å²	47.3	33%	0.325	24%	0.236	S	C	.	.	H	α-helix	trans	-78.9	-29.7	174.7	-71.6	175.6	0	0	0	112.6	L213 E214 L227 Y230	L213-L217 HydrophobicContact CD1-CD1 3.73Å; L213-L217 HydrophobicContact CD1-CG 3.94Å; L213-L217 HydrophobicContact CG-CD1 3.81Å; L213-L217 HydrophobicContact CG-CG 4.37Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.11Å; L213-L217 PolarHBondContact O-N 2.8Å; E214-L217 PolarHBondContact O-N 3.07Å; L217-L227 HydrophobicContact CD2-CD2 4.2Å; L217-L227 HydrophobicContact CG-CD2 4.5Å; L217-Y230 HydrophobicContact CD1-CE1 4.38Å; L217-Y230 HydrophobicContact CD2-CE1 4.35Å
218	L	89.7	Confident	91.7	Very high	104 Å²	104	40.8 Å²	40.8	55%	0.545	21%	0.212	S	C	.	.	H	α-helix	trans	-91.2	-30.7	-177	-66.4	177.5	0	0	0	114.2	E214 F317	E214-L218 HydrophobicContact CG-CD1 3.9Å; E214-L218 WeakPolarHBondContact O-CB 3.46Å; E214-L218 VanDerWaalsContact O-CG 3.28Å; E214-L218 WeakPolarHBondContact O-CG 3.31Å; E214-L218 PolarHBondContact O-N 3.4Å; E214-L218 VanDerWaalsContact O-N 3.12Å; L218-F317 HydrophobicContact CD1-CE1 4.14Å; L218-F317 HydrophobicContact CD1-CZ 4.17Å
219	F	91.2	Very high	92	Very high	16 Å²	16	40.7 Å²	40.7	7%	0.07	22%	0.216	C	C	.	.			trans	-126.1	132	-170	-51	-63.3	0	0	0	112.2	V215 Y280 L281 V284 V289 F317	V215-F219 HydrophobicContact CG1-CD2 4.16Å; V215-F219 WeakPolarHBondContact O-CB 3.38Å; V215-F219 WeakPolarHBondContact O-CD2 3.5Å; V215-F219 PolarHBondContact O-N 3.47Å; F219-Y280 HydrophobicContact CB-CE1 3.94Å; F219-L281 HydrophobicContact CB-CD2 4.04Å; F219-L281 HydrophobicContact CD2-CD2 4.25Å; F219-L281 HydrophobicContact CG-CD2 4.23Å; F219-V284 HydrophobicContact CD1-CB 3.95Å; F219-V284 HydrophobicContact CD1-CG1 3.78Å; F219-V284 HydrophobicContact CD1-CG2 3.91Å; F219-V284 HydrophobicContact CE1-CB 3.69Å; F219-V284 HydrophobicContact CE1-CG1 4.08Å; F219-V284 HydrophobicContact CE1-CG2 3.43Å; F219-V284 VanDerWaalsContact CE1-CG2 3.43Å; F219-V284 HydrophobicContact CE2-CG2 4.41Å; F219-V284 HydrophobicContact CG-CG1 4.5Å; F219-V284 HydrophobicContact CZ-CB 4.46Å; F219-V284 HydrophobicContact CZ-CG2 3.71Å; F219-V289 HydrophobicContact CD2-CG2 4.07Å; F219-V289 HydrophobicContact CE2-CG2 3.46Å; F219-V289 VanDerWaalsContact CE2-CG2 3.46Å; F219-V289 HydrophobicContact CZ-CG2 3.94Å; F219-F317 AromaticContact CE2-CE1 3.53Å; F219-F317 HydrophobicContact CE2-CE1 3.53Å; F219-F317 HydrophobicContact CE2-CZ 4Å; F219-F317 AromaticContact CZ-CE1 3.85Å; F219-F317 HydrophobicContact CZ-CE1 3.85Å
220	H	93.4	Very high	92.2	Very high	115 Å²	115	42.1 Å²	42.1	53%	0.532	22%	0.222	S	C	.	.			trans	-134.8	127.7	-174.9	-59.8	-12.8	0	0	0	109.6	L216 Y280	L216-H220 PolarHBondContact O-CE1 3.49Å; L216-H220 PolarHBondContact O-ND1 2.94Å; H220-Y280 PolarHBondContact N-OH 3.41Å; H220-Y280 PolarHBondContact O-OH 3.39Å
221	H	96.6	Very high	92.3	Very high	45 Å²	45	39.4 Å²	39.4	21%	0.208	21%	0.207	C	C	.	.			trans	-150.9	144.4	-179	-179.4	-99.4	0	0	0	109.6	N223 I224 Y280	H221-N223 PolarHBondContact ND1-N 2.93Å; H221-N223 PolarHBondContact O-N 2.78Å; H221-I224 HydrophobicContact CB-CB 4.31Å; H221-I224 HydrophobicContact CB-CD1 3.82Å; H221-I224 HydrophobicContact CB-CG1 3.97Å; H221-I224 PolarHBondContact O-N 2.91Å; H221-Y280 HydrophobicContact CB-CD1 3.69Å; H221-Y280 HydrophobicContact CB-CE1 3.83Å; H221-Y280 HydrophobicContact CB-CG 4.33Å
222	P	97.2	Very high	92.1	Very high	98 Å²	98	41.2 Å²	41.2	64%	0.636	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-20	-177.1	-28.7	37	0	0	0	115.9	K308	P222-K308 PolarHBondContact O-NZ 2.66Å
223	N	98.5	Very high	91.5	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.102	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	19.1	176.7	-56.5	109.1	0	0	0	114.5	H221 G273 A277 P307 K308 L309	H221-N223 PolarHBondContact ND1-N 2.93Å; H221-N223 PolarHBondContact O-N 2.78Å; N223-G273 WeakPolarHBondContact CB-O 3.07Å; N223-G273 PolarHBondContact OD1-O 3.28Å; N223-A277 HydrophobicContact CB-CB 4.05Å; N223-P307 WeakPolarHBondContact CA-O 3.43Å; N223-P307 WeakPolarHBondContact CB-O 3.28Å; N223-P307 PolarHBondContact ND2-O 3.15Å; N223-K308 WeakPolarHBondContact O-CA 3.37Å; N223-L309 PolarHBondContact O-N 3.32Å
224	I	97.8	Very high	90.4	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.046	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-107.8	148.1	164	-68.1	175.9	0	0	0	107.7	L216 H221 E226 A277 Y280 L281 F312	L216-I224 HydrophobicContact CD2-CG2 4.12Å; H221-I224 HydrophobicContact CB-CB 4.31Å; H221-I224 HydrophobicContact CB-CD1 3.82Å; H221-I224 HydrophobicContact CB-CG1 3.97Å; H221-I224 PolarHBondContact O-N 2.91Å; I224-E226 PolarHBondContact O-N 2.9Å; I224-A277 HydrophobicContact CG1-CB 4.02Å; I224-Y280 HydrophobicContact CD1-CD1 4.04Å; I224-Y280 HydrophobicContact CD1-CE1 4.12Å; I224-L281 HydrophobicContact CD1-CD1 3.84Å; I224-L281 HydrophobicContact CD1-CD2 3.98Å; I224-L281 HydrophobicContact CD1-CG 3.89Å; I224-F312 HydrophobicContact CG1-CZ 4.35Å; I224-F312 HydrophobicContact CG2-CE2 3.8Å; I224-F312 HydrophobicContact CG2-CZ 3.9Å
225	L	96.2	Very high	89.7	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.274	C	S	.	.			trans	-74.1	103.9	176.8	-174.2	68.5	0	0	0	110.7	L216 L227 Y241 M244 L300 K308 L309	L216-L225 VanDerWaalsContact CD2-O 3.26Å; L216-L225 WeakPolarHBondContact CD2-O 3.49Å; L225-L227 PolarHBondContact O-N 3.47Å; L225-Y241 HydrophobicContact CD2-CD1 3.55Å; L225-Y241 HydrophobicContact CD2-CD2 4.32Å; L225-Y241 HydrophobicContact CD2-CE1 4.12Å; L225-Y241 HydrophobicContact CD2-CG 3.66Å; L225-Y241 HydrophobicContact CG-CD1 3.69Å; L225-Y241 HydrophobicContact CG-CE1 4.37Å; L225-Y241 HydrophobicContact CG-CG 4.16Å; L225-M244 HydrophobicContact CD1-CE 3.86Å; L225-M244 HydrophobicContact CD1-CG 3.92Å; L225-M244 HydrophobicContact CD1-SD 4.15Å; L225-L300 HydrophobicContact CD2-CD1 4.01Å; L225-K308 HydrophobicContact CB-CB 4.04Å; L225-K308 HydrophobicContact CD1-CB 4.18Å; L225-K308 HydrophobicContact CD1-CG 4.36Å; L225-L309 WeakPolarHBondContact CB-O 3.4Å; L225-L309 PolarHBondContact N-O 3.43Å
226	E	92.1	Very high	89.4	Confident	102 Å²	102	54.8 Å²	54.8	48%	0.477	29%	0.286	S	S	.	.			trans	-60	129.3	178.2	-170.1	178.5	174.4	0	0	111.4	K150 I224 A228 P242	K150-E226 IonicContact NZ-OE1 3.74Å; K150-E226 PolarHBondContact NZ-OE1 2.89Å; K150-E226 IonicContact NZ-OE2 3.74Å; I224-E226 PolarHBondContact O-N 2.9Å; E226-A228 PolarHBondContact O-N 3.14Å; E226-P242 WeakPolarHBondContact O-CD 3.48Å
227	L	93.8	Very high	89.4	Confident	26 Å²	26	56.1 Å²	56.1	14%	0.136	29%	0.292	C	S	.	.			trans	-77.3	116.8	173.6	-178.5	70.1	0	0	0	109.2	L213 L216 L217 L225 A229 Y230 L239 Y241	L213-L227 HydrophobicContact CD1-CD2 3.66Å; L216-L227 HydrophobicContact CB-CB 4.15Å; L216-L227 HydrophobicContact CB-CD2 4.33Å; L216-L227 HydrophobicContact CD1-CB 4.46Å; L217-L227 HydrophobicContact CD2-CD2 4.2Å; L217-L227 HydrophobicContact CG-CD2 4.5Å; L225-L227 PolarHBondContact O-N 3.47Å; L227-A229 WeakPolarHBondContact CD1-O 3.18Å; L227-Y230 HydrophobicContact CD2-CD1 4.38Å; L227-L239 HydrophobicContact CD1-CB 3.86Å; L227-L239 HydrophobicContact CD1-CD2 4.32Å; L227-Y241 HydrophobicContact CB-CE1 4.2Å; L227-Y241 HydrophobicContact CD1-CD1 4.21Å; L227-Y241 HydrophobicContact CD1-CE1 3.62Å
228	A	91.8	Very high	89.5	Confident	24 Å²	24	53.1 Å²	53.1	20%	0.198	28%	0.276	C	S	.	.			trans	-85.3	-27.8	-175.7	0	0	0	0	0	113.7	S151 Y189 E226 V240	S151-A228 PolarHBondContact OG-O 3.03Å; Y189-A228 HydrophobicContact CD1-CB 4.29Å; Y189-A228 HydrophobicContact CE1-CB 4.04Å; E226-A228 PolarHBondContact O-N 3.14Å; A228-V240 WeakPolarHBondContact CB-O 3.48Å; A228-V240 PolarHBondContact N-O 3.02Å
229	A	90.9	Very high	89.7	Confident	20 Å²	20	48.2 Å²	48.2	17%	0.165	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	164.3	171.6	0	0	0	0	0	110.3	L227 F231 V240	L227-A229 WeakPolarHBondContact CD1-O 3.18Å; A229-F231 HydrophobicContact CB-CE2 3.73Å; A229-F231 HydrophobicContact CB-CZ 4.17Å; A229-V240 HydrophobicContact CB-CB 4.17Å; A229-V240 HydrophobicContact CB-CG2 4.27Å; A229-V240 PolarHBondContact N-O 3.07Å; A229-V240 WeakPolarHBondContact O-CB 3.36Å; A229-V240 PolarHBondContact O-N 2.98Å
230	Y	92.1	Very high	89.9	Confident	33 Å²	33	47.4 Å²	47.4	13%	0.129	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153.8	163.2	72.9	-86	0	0	0	110.4	L213 L217 L227 T232 C238	L213-Y230 HydrophobicContact CD1-CD1 3.95Å; L213-Y230 HydrophobicContact CD1-CD2 4.44Å; L213-Y230 HydrophobicContact CD1-CE1 4.43Å; L213-Y230 HydrophobicContact CD1-CG 3.96Å; L213-Y230 HydrophobicContact CD2-CD2 4.39Å; L213-Y230 HydrophobicContact CD2-CE2 4.47Å; L217-Y230 HydrophobicContact CD1-CE1 4.38Å; L217-Y230 HydrophobicContact CD2-CE1 4.35Å; L227-Y230 HydrophobicContact CD2-CD1 4.38Å; Y230-T232 HydrophobicContact CD2-CG2 4.02Å; Y230-T232 HydrophobicContact CE2-CG2 4.04Å; Y230-C238 WeakPolarHBondContact CA-O 3.37Å
231	F	89.9	Confident	90	Very high	14 Å²	14	42.1 Å²	42.1	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.2	-179.9	-63.1	-87.6	0	0	0	111.5	I153 F155 I158 A229 F237 C238 V240	I153-F231 HydrophobicContact CG2-CE2 3.91Å; I153-F231 HydrophobicContact CG2-CZ 3.86Å; I153-F231 WeakPolarHBondContact O-CZ 3.45Å; F155-F231 HydrophobicContact CB-CD1 3.73Å; F155-F231 HydrophobicContact CB-CE1 4.17Å; F155-F231 HydrophobicContact CB-CG 4.12Å; F155-F231 HydrophobicContact CD2-CB 3.77Å; F155-F231 HydrophobicContact CD2-CD1 4.43Å; F155-F231 HydrophobicContact CD2-CD2 4.47Å; F155-F231 AromaticContact CD2-CG 3.97Å; F155-F231 HydrophobicContact CD2-CG 3.97Å; F155-F231 HydrophobicContact CE2-CB 4.41Å; F155-F231 HydrophobicContact CG-CB 4.43Å; F155-F231 HydrophobicContact CG-CD1 4.49Å; F155-F231 HydrophobicContact CG-CG 4.47Å; I158-F231 HydrophobicContact CD1-CD2 3.53Å; I158-F231 HydrophobicContact CD1-CE2 3.55Å; I158-F231 HydrophobicContact CD1-CG 4.47Å; I158-F231 HydrophobicContact CD1-CZ 4.48Å; A229-F231 HydrophobicContact CB-CE2 3.73Å; A229-F231 HydrophobicContact CB-CZ 4.17Å; F231-F237 WeakPolarHBondContact O-CA 3.29Å; F231-C238 PolarHBondContact N-O 2.9Å; F231-C238 PolarHBondContact O-N 3.06Å; F231-V240 HydrophobicContact CD2-CG2 4.09Å; F231-V240 HydrophobicContact CE2-CG2 4.01Å
232	T	83.9	Confident	89.9	Confident	52 Å²	52	42.2 Å²	42.2	32%	0.319	23%	0.227	S	C	.	.			trans	-134.3	32.9	-177	67.4	0	0	0	0	111.1	Y230 K236 F237	Y230-T232 HydrophobicContact CD2-CG2 4.02Å; Y230-T232 HydrophobicContact CE2-CG2 4.04Å; T232-K236 CarbonylContact C-O 3.48Å; T232-K236 WeakPolarHBondContact CA-O 3.39Å; T232-F237 HydrophobicContact CG2-CD1 3.87Å; T232-F237 HydrophobicContact CG2-CE1 4.25Å
233	E	78.7	Confident	89.8	Confident	68 Å²	68	41 Å²	41	32%	0.318	21%	0.21	S	C	.	.			trans	-97.6	150.5	-170.6	-67.4	179.5	-152.8	0	0	112.3	F155 E235 K236	F155-E233 WeakPolarHBondContact CB-OE2 3.33Å; F155-E233 HydrophobicContact CD1-CB 3.95Å; F155-E233 HydrophobicContact CE1-CB 4.33Å; F155-E233 HydrophobicContact CG-CB 4.28Å; E233-E235 PolarHBondContact O-N 2.7Å; E233-K236 PolarHBondContact N-O 3.16Å; E233-K236 PolarHBondContact O-N 2.91Å
234	T	67.1	Low	89.7	Confident	101 Å²	101	41.2 Å²	41.2	62%	0.62	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	41.1	169.1	64.7	0	0	0	0	115.3	F155 K236	F155-T234 VanDerWaalsContact CE1-OG1 3.28Å; F155-T234 WeakPolarHBondContact CE1-OG1 3.5Å; T234-K236 PolarHBondContact O-N 3.33Å
235	E	75.2	Confident	89.6	Confident	169 Å²	169	47.9 Å²	47.9	79%	0.79	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	27.2	-173.2	-53.3	-174.7	163.9	0	0	113.5	Q196 E233	Q196-E235 PolarHBondContact NE2-O 3.46Å; Q196-E235 PolarHBondContact OE1-O 2.86Å; E233-E235 PolarHBondContact O-N 2.7Å
236	K	83.5	Confident	89.6	Confident	62 Å²	62	49 Å²	49	27%	0.27	24%	0.241	S	C	.	.			trans	-123.9	137.2	173	-72	-179.2	173.6	-176.4	0	110.7	F155 F165 L193 T232 E233 T234	F155-K236 HydrophobicContact CZ-CB 3.99Å; F155-K236 HydrophobicContact CZ-CD 4.02Å; F165-K236 VanDerWaalsContact CD2-NZ 3.33Å; F165-K236 HydrophobicContact CE2-CD 4.12Å; F165-K236 VanDerWaalsContact CE2-NZ 3.34Å; L193-K236 HydrophobicContact CD1-CB 4.24Å; L193-K236 HydrophobicContact CD1-CD 4.28Å; L193-K236 HydrophobicContact CD1-CG 4.36Å; T232-K236 CarbonylContact C-O 3.48Å; T232-K236 WeakPolarHBondContact CA-O 3.39Å; E233-K236 PolarHBondContact N-O 3.16Å; E233-K236 PolarHBondContact O-N 2.91Å; T234-K236 PolarHBondContact O-N 3.33Å
237	F	89.5	Confident	89.7	Confident	34 Å²	34	45.3 Å²	45.3	15%	0.149	23%	0.231	C	C	.	.			trans	-114.1	129.6	172.3	-54.1	-77.2	0	0	0	108.4	F194 Q196 W206 F209 F231 T232	F194-F237 HydrophobicContact CB-CB 3.96Å; F194-F237 VanDerWaalsContact CB-O 3.3Å; F194-F237 WeakPolarHBondContact CB-O 3.33Å; F194-F237 HydrophobicContact CD1-CB 4.5Å; F194-F237 HydrophobicContact CD1-CD2 4.06Å; F194-F237 PolarHBondContact N-O 3.21Å; Q196-F237 VanDerWaalsContact NE2-CD2 3.32Å; W206-F237 HydrophobicContact CE3-CD2 4.5Å; W206-F237 AromaticContact CH2-CD1 3.78Å; W206-F237 HydrophobicContact CH2-CD1 3.78Å; W206-F237 HydrophobicContact CH2-CD2 4.25Å; W206-F237 AromaticContact CH2-CE1 3.65Å; W206-F237 HydrophobicContact CH2-CE1 3.65Å; W206-F237 HydrophobicContact CH2-CE2 4.14Å; W206-F237 HydrophobicContact CH2-CG 4.09Å; W206-F237 AromaticContact CH2-CZ 3.85Å; W206-F237 HydrophobicContact CH2-CZ 3.85Å; W206-F237 HydrophobicContact CZ3-CB 4.38Å; W206-F237 AromaticContact CZ3-CD1 3.89Å; W206-F237 HydrophobicContact CZ3-CD1 3.89Å; W206-F237 AromaticContact CZ3-CD2 3.63Å; W206-F237 HydrophobicContact CZ3-CD2 3.63Å; W206-F237 HydrophobicContact CZ3-CE1 4.05Å; W206-F237 AromaticContact CZ3-CE2 3.8Å; W206-F237 HydrophobicContact CZ3-CE2 3.8Å; W206-F237 AromaticContact CZ3-CG 3.7Å; W206-F237 HydrophobicContact CZ3-CG 3.7Å; W206-F237 HydrophobicContact CZ3-CZ 4.01Å; F209-F237 HydrophobicContact CE1-CB 4.45Å; F209-F237 HydrophobicContact CE2-CB 3.89Å; F209-F237 HydrophobicContact CZ-CB 3.81Å; F231-F237 WeakPolarHBondContact O-CA 3.29Å; T232-F237 HydrophobicContact CG2-CD1 3.87Å; T232-F237 HydrophobicContact CG2-CE1 4.25Å
238	C	91.3	Very high	89.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.8	174.5	71	0	0	0	0	113.4	V191 K192 L193 Y230 F231	V191-C238 HydrophobicContact CG1-CB 3.76Å; K192-C238 CarbonylContact O-C 3.57Å; K192-C238 WeakPolarHBondContact O-CA 3.49Å; K192-C238 WeakPolarHBondContact O-CB 3.48Å; L193-C238 HydrophobicContact CD1-CB 4.3Å; Y230-C238 WeakPolarHBondContact CA-O 3.37Å; F231-C238 PolarHBondContact N-O 2.9Å; F231-C238 PolarHBondContact O-N 3.06Å
239	L	93.4	Very high	90.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.8	178	-53.6	178.9	0	0	0	108.4	F177 V191 K192 F209 E212 L213 L227 Y241	F177-L239 HydrophobicContact CE1-CD1 4.33Å; F177-L239 HydrophobicContact CZ-CD1 4.04Å; V191-L239 CarbonylContact C-O 3.57Å; V191-L239 WeakPolarHBondContact CA-O 3.48Å; K192-L239 HydrophobicContact CB-CB 4.38Å; K192-L239 PolarHBondContact N-O 3.37Å; K192-L239 PolarHBondContact O-N 3.49Å; F209-L239 HydrophobicContact CD2-CD1 4.48Å; F209-L239 HydrophobicContact CE2-CD1 4.22Å; F209-L239 HydrophobicContact CE2-CD2 3.84Å; F209-L239 HydrophobicContact CE2-CG 3.87Å; F209-L239 HydrophobicContact CZ-CD2 3.93Å; F209-L239 HydrophobicContact CZ-CG 4.47Å; E212-L239 HydrophobicContact CB-CD1 4.4Å; E212-L239 HydrophobicContact CG-CD1 3.98Å; E212-L239 WeakPolarHBondContact OE1-CD1 3.44Å; L213-L239 HydrophobicContact CD1-CD2 3.92Å; L227-L239 HydrophobicContact CD1-CB 3.86Å; L227-L239 HydrophobicContact CD1-CD2 4.32Å; L239-Y241 HydrophobicContact CB-CE2 3.66Å; L239-Y241 WeakPolarHBondContact CD1-OH 3.25Å
240	V	94.8	Very high	90.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.1	-173.9	-171.7	0	0	0	0	110.1	I153 I158 Y189 V191 A228 A229 F231	I153-V240 HydrophobicContact CD1-CG1 4.32Å; I158-V240 HydrophobicContact CD1-CG2 3.65Å; Y189-V240 HydrophobicContact CD1-CG1 4Å; Y189-V240 HydrophobicContact CG-CG1 4.11Å; V191-V240 HydrophobicContact CG2-CG1 4.3Å; V191-V240 HydrophobicContact CG2-CG2 4.3Å; A228-V240 WeakPolarHBondContact CB-O 3.48Å; A228-V240 PolarHBondContact N-O 3.02Å; A229-V240 HydrophobicContact CB-CB 4.17Å; A229-V240 HydrophobicContact CB-CG2 4.27Å; A229-V240 PolarHBondContact N-O 3.07Å; A229-V240 WeakPolarHBondContact O-CB 3.36Å; A229-V240 PolarHBondContact O-N 2.98Å; F231-V240 HydrophobicContact CD2-CG2 4.09Å; F231-V240 HydrophobicContact CE2-CG2 4.01Å
241	Y	95	Very high	90.7	Very high	4 Å²	4	47 Å²	47	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.8	-176.4	-60	-74	0	0	0	111.4	Y189 A190 K192 E212 L216 L225 L227 L239 Y243	Y189-Y241 CarbonylContact C-O 3.6Å; Y189-Y241 WeakPolarHBondContact CA-O 3.47Å; Y189-Y241 VanDerWaalsContact CB-O 3.25Å; Y189-Y241 WeakPolarHBondContact CB-O 3.42Å; Y189-Y241 WeakPolarHBondContact CD1-O 3.39Å; A190-Y241 PolarHBondContact N-O 3.09Å; A190-Y241 PolarHBondContact O-N 2.84Å; K192-Y241 HydrophobicContact CB-CE2 4.39Å; K192-Y241 HydrophobicContact CD-CE2 3.78Å; K192-Y241 HydrophobicContact CG-CD2 4.22Å; K192-Y241 HydrophobicContact CG-CE2 3.83Å; E212-Y241 PolarHBondContact OE1-OH 3.15Å; L216-Y241 HydrophobicContact CD1-CE1 3.73Å; L216-Y241 WeakPolarHBondContact CD1-OH 3.3Å; L225-Y241 HydrophobicContact CD2-CD1 3.55Å; L225-Y241 HydrophobicContact CD2-CD2 4.32Å; L225-Y241 HydrophobicContact CD2-CE1 4.12Å; L225-Y241 HydrophobicContact CD2-CG 3.66Å; L225-Y241 HydrophobicContact CG-CD1 3.69Å; L225-Y241 HydrophobicContact CG-CE1 4.37Å; L225-Y241 HydrophobicContact CG-CG 4.16Å; L227-Y241 HydrophobicContact CB-CE1 4.2Å; L227-Y241 HydrophobicContact CD1-CD1 4.21Å; L227-Y241 HydrophobicContact CD1-CE1 3.62Å; L239-Y241 HydrophobicContact CB-CE2 3.66Å; L239-Y241 WeakPolarHBondContact CD1-OH 3.25Å; Y241-Y243 PolarHBondContact O-N 2.97Å
242	P	95	Very high	91.1	Very high	47 Å²	47	47 Å²	47	31%	0.305	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	135.6	166.1	-20.5	32.9	0	0	0	110.6	E226 M244	E226-P242 WeakPolarHBondContact O-CD 3.48Å; P242-M244 HydrophobicContact CB-CE 3.91Å; P242-M244 WeakPolarHBondContact O-CE 3.35Å; P242-M244 PolarHBondContact O-N 3.2Å
243	Y	95.9	Very high	91.8	Very high	71 Å²	71	44.6 Å²	44.6	28%	0.278	22%	0.219	S	C	.	.			trans	-74.6	123.5	-177.4	-178.8	-100.2	0	0	0	111.8	I171 T188 A190 Y241 R245	I171-Y243 HydrophobicContact CD1-CD2 4.08Å; I171-Y243 HydrophobicContact CD1-CE2 3.76Å; I171-Y243 HydrophobicContact CG1-CE2 4.4Å; T188-Y243 HydrophobicContact CG2-CD1 3.9Å; T188-Y243 HydrophobicContact CG2-CD2 4.4Å; T188-Y243 HydrophobicContact CG2-CG 3.74Å; T188-Y243 WeakPolarHBondContact O-CB 3.41Å; T188-Y243 PolarHBondContact O-N 3.5Å; A190-Y243 HydrophobicContact CB-CD2 4.33Å; Y241-Y243 PolarHBondContact O-N 2.97Å; Y243-R245 HydrophobicContact CD1-CG 4Å; Y243-R245 HydrophobicContact CE1-CG 4.2Å; Y243-R245 PolarHBondContact O-N 3.15Å
244	M	96.6	Very high	92.6	Very high	24 Å²	24	43.5 Å²	43.5	12%	0.118	21%	0.214	C	C	.	.			trans	-87.3	95.5	-177.8	-65.5	-66.6	117.2	0	0	110.3	L225 P242 N246 G247 L300 L301 D302 K308	L225-M244 HydrophobicContact CD1-CE 3.86Å; L225-M244 HydrophobicContact CD1-CG 3.92Å; L225-M244 HydrophobicContact CD1-SD 4.15Å; P242-M244 HydrophobicContact CB-CE 3.91Å; P242-M244 WeakPolarHBondContact O-CE 3.35Å; P242-M244 PolarHBondContact O-N 3.2Å; M244-N246 VanDerWaalsContact C-N 3.26Å; M244-N246 PolarHBondContact O-N 3.47Å; M244-G247 PolarHBondContact O-N 2.91Å; M244-L300 HydrophobicContact CB-CB 3.86Å; M244-L300 HydrophobicContact CB-CD1 4.18Å; M244-L300 HydrophobicContact CG-CB 3.69Å; M244-L300 HydrophobicContact CG-CD1 3.82Å; M244-L300 HydrophobicContact CG-CG 4.42Å; M244-L301 WeakPolarHBondContact CB-O 3.32Å; M244-D302 HydrophobicContact CE-CB 4.39Å; M244-D302 HydrophobicContact SD-CB 3.73Å; M244-K308 HydrophobicContact CE-CG 4.48Å; M244-K308 HydrophobicContact SD-CG 3.64Å
245	R	93.9	Very high	93.9	Very high	149 Å²	149	39.9 Å²	39.9	56%	0.562	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.4	-170	-64.2	-158.6	-172.1	99.4	0.3	114.8	Y243 G247 D303	Y243-R245 HydrophobicContact CD1-CG 4Å; Y243-R245 HydrophobicContact CE1-CG 4.2Å; Y243-R245 PolarHBondContact O-N 3.15Å; R245-G247 VanDerWaalsContact C-N 3.29Å; R245-G247 PolarHBondContact O-N 3.43Å; R245-D303 WeakPolarHBondContact CB-OD1 3.5Å; R245-D303 VanDerWaalsContact CD-OD1 3.26Å; R245-D303 WeakPolarHBondContact CD-OD1 3.5Å; R245-D303 VanDerWaalsContact CG-OD1 3.31Å; R245-D303 WeakPolarHBondContact CG-OD1 3.49Å; R245-D303 IonicContact CZ-OD1 2.69Å; R245-D303 IonicContact CZ-OD2 3.18Å; R245-D303 IonicContact NE-OD1 2.66Å; R245-D303 IonicContact NH1-OD1 3.28Å; R245-D303 PolarHBondContact NH1-OD1 3Å; R245-D303 IonicContact NH1-OD2 2.69Å; R245-D303 PolarHBondContact NH1-OD2 3.2Å
246	N	96.1	Very high	94.7	Very high	29 Å²	29	33.8 Å²	33.8	16%	0.155	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	8.8	177.8	-79	-61.6	0	0	0	113.5	M244 R252 L301 D302 F305	M244-N246 VanDerWaalsContact C-N 3.26Å; M244-N246 PolarHBondContact O-N 3.47Å; N246-R252 VanDerWaalsContact O-CD 3.31Å; N246-R252 WeakPolarHBondContact O-CD 3.34Å; N246-R252 WeakPolarHBondContact O-CG 3.48Å; N246-L301 HydrophobicContact CB-CB 3.7Å; N246-L301 WeakPolarHBondContact CB-O 3.43Å; N246-L301 PolarHBondContact N-O 3.31Å; N246-D302 PolarHBondContact ND2-O 3.27Å; N246-F305 HydrophobicContact CB-CD1 3.98Å; N246-F305 HydrophobicContact CB-CE1 3.8Å; N246-F305 WeakPolarHBondContact OD1-CE1 3.29Å; N246-F305 WeakPolarHBondContact OD1-CZ 3.39Å
247	G	95.5	Very high	94.9	Very high	25 Å²	25	34.5 Å²	34.5	26%	0.258	20%	0.196	S	C	.	.			trans	68.1	-150.7	171.2	0	0	0	0	0	113.9	M244 R245 L300 L301	M244-G247 PolarHBondContact O-N 2.91Å; R245-G247 VanDerWaalsContact C-N 3.29Å; R245-G247 PolarHBondContact O-N 3.43Å; G247-L300 CarbonylContact O-C 3.56Å; G247-L300 WeakPolarHBondContact O-CA 3.17Å; G247-L301 PolarHBondContact O-N 2.82Å
248	T	97.5	Very high	94.7	Very high	25 Å²	25	40.8 Å²	40.8	15%	0.153	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-85.7	153.4	175.6	77.6	0	0	0	0	111.6	F250 D251 R252 A297 I299 L300	T248-F250 PolarHBondContact O-N 3.21Å; T248-F250 PolarHBondContact OG1-N 2.8Å; T248-D251 WeakPolarHBondContact CB-OD2 3.46Å; T248-D251 WeakPolarHBondContact CG2-OD2 3.17Å; T248-D251 PolarHBondContact O-N 3.15Å; T248-D251 PolarHBondContact OG1-N 3.37Å; T248-D251 PolarHBondContact OG1-OD2 2.99Å; T248-R252 WeakPolarHBondContact O-CG 3.47Å; T248-R252 PolarHBondContact O-N 3.48Å; T248-R252 VanDerWaalsContact O-N 3.12Å; T248-A297 WeakPolarHBondContact CG2-O 3.17Å; T248-I299 CarbonylContact C-O 3.39Å; T248-I299 WeakPolarHBondContact CA-O 3.29Å; T248-L300 HydrophobicContact CG2-CD2 3.78Å
249	L	98.5	Very high	94.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-36.8	169.8	173.6	61.6	0	0	0	111.3	R252 L253 L262 I270 S296 I299 V363 V367	L249-R252 PolarHBondContact O-N 3.38Å; L249-L253 HydrophobicContact CD1-CD1 3.99Å; L249-L253 HydrophobicContact CD1-CD2 4.45Å; L249-L253 HydrophobicContact CD1-CG 3.92Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.3Å; L249-L253 WeakPolarHBondContact O-CB 3.19Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.44Å; L249-L253 PolarHBondContact O-N 3.27Å; L249-L262 HydrophobicContact CD1-CD1 3.8Å; L249-I270 HydrophobicContact CD1-CD1 4.23Å; L249-I270 HydrophobicContact CD1-CG2 4.1Å; L249-I270 HydrophobicContact CD2-CG2 3.85Å; L249-S296 WeakPolarHBondContact CB-O 3.45Å; L249-S296 PolarHBondContact N-O 3.29Å; L249-I299 HydrophobicContact CB-CB 4.02Å; L249-I299 HydrophobicContact CB-CG2 3.88Å; L249-I299 HydrophobicContact CD2-CB 4.32Å; L249-I299 HydrophobicContact CD2-CD1 3.99Å; L249-I299 HydrophobicContact CD2-CG2 4.06Å; L249-I299 PolarHBondContact N-O 3.22Å; L249-V363 HydrophobicContact CD2-CG1 3.97Å; L249-V367 HydrophobicContact CD1-CG2 4.4Å; L249-V367 HydrophobicContact CD2-CG2 3.94Å
250	F	97.4	Very high	94.8	Very high	57 Å²	57	47 Å²	47	25%	0.25	27%	0.273	C	S	.	.	H	α-helix	trans	-56.6	-55.2	174.5	177.7	-96.6	0	0	0	111.5	T248 R252 L253 Q254 S296 R372	T248-F250 PolarHBondContact O-N 3.21Å; T248-F250 PolarHBondContact OG1-N 2.8Å; F250-R252 PolarHBondContact O-N 2.82Å; F250-L253 PolarHBondContact O-N 3.38Å; F250-Q254 HydrophobicContact CD1-CG 4.44Å; F250-Q254 HydrophobicContact CD2-CG 4.5Å; F250-Q254 HydrophobicContact CE1-CG 4.27Å; F250-Q254 HydrophobicContact CE2-CG 4.33Å; F250-Q254 HydrophobicContact CZ-CG 4.23Å; F250-Q254 WeakPolarHBondContact O-CB 3.16Å; F250-Q254 VanDerWaalsContact O-CG 3.32Å; F250-Q254 WeakPolarHBondContact O-CG 3.39Å; F250-Q254 PolarHBondContact O-N 3.4Å; F250-S296 PolarHBondContact N-O 2.99Å; F250-R372 HydrophobicContact CE2-CG 4.3Å
251	D	96.6	Very high	94.9	Very high	56 Å²	56	49.4 Å²	49.4	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-35.5	-179.5	-59.2	-48.9	0	0	0	111.7	T248 Q254 C255 A256 M259	T248-D251 WeakPolarHBondContact CB-OD2 3.46Å; T248-D251 WeakPolarHBondContact CG2-OD2 3.17Å; T248-D251 PolarHBondContact O-N 3.15Å; T248-D251 PolarHBondContact OG1-N 3.37Å; T248-D251 PolarHBondContact OG1-OD2 2.99Å; D251-Q254 CarbonylContact O-C 3.58Å; D251-Q254 PolarHBondContact O-N 2.88Å; D251-C255 PolarHBondContact O-N 3.34Å; D251-A256 HydrophobicContact CB-CB 4.21Å; D251-A256 PolarHBondContact O-N 3.01Å; D251-M259 HydrophobicContact CB-CE 4.28Å
252	R	97.9	Very high	95	Very high	12 Å²	12	49.3 Å²	49.3	5%	0.045	29%	0.288	C	S	.	.	H	α-helix	trans	-74.6	-33.7	178.7	-67.2	-64.4	-66.4	101.8	-4.4	113.7	N246 T248 L249 F250 C255 M259 A260 L262 L301	N246-R252 VanDerWaalsContact O-CD 3.31Å; N246-R252 WeakPolarHBondContact O-CD 3.34Å; N246-R252 WeakPolarHBondContact O-CG 3.48Å; T248-R252 WeakPolarHBondContact O-CG 3.47Å; T248-R252 PolarHBondContact O-N 3.48Å; T248-R252 VanDerWaalsContact O-N 3.12Å; L249-R252 PolarHBondContact O-N 3.38Å; F250-R252 PolarHBondContact O-N 2.82Å; R252-C255 PolarHBondContact O-N 2.83Å; R252-M259 WeakPolarHBondContact CD-SD 3.49Å; R252-M259 HydrophobicContact CG-CE 4.49Å; R252-A260 VanDerWaalsContact CZ-O 3.26Å; R252-A260 PolarHBondContact NH1-O 3.08Å; R252-A260 PolarHBondContact NH2-O 3.28Å; R252-L262 HydrophobicContact CB-CD1 3.79Å; R252-L262 HydrophobicContact CB-CD2 4.38Å; R252-L262 HydrophobicContact CB-CG 4.07Å; R252-L301 HydrophobicContact CB-CD1 4.37Å; R252-L301 HydrophobicContact CG-CD1 4.12Å
253	L	97.6	Very high	95.2	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-70.8	-39.8	169.7	-70.4	170.3	0	0	0	111.2	L249 F250 C255 L262 E366 V367 K406	L249-L253 HydrophobicContact CD1-CD1 3.99Å; L249-L253 HydrophobicContact CD1-CD2 4.45Å; L249-L253 HydrophobicContact CD1-CG 3.92Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.3Å; L249-L253 WeakPolarHBondContact O-CB 3.19Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.44Å; L249-L253 PolarHBondContact O-N 3.27Å; F250-L253 PolarHBondContact O-N 3.38Å; L253-C255 PolarHBondContact O-N 2.94Å; L253-L262 HydrophobicContact CD2-CD1 4.46Å; L253-E366 HydrophobicContact CD1-CB 4.22Å; L253-V367 HydrophobicContact CD1-CG2 3.91Å; L253-K406 PolarHBondContact O-NZ 3.36Å
254	Q	96.8	Very high	95.3	Very high	45 Å²	45	47.1 Å²	47.1	21%	0.21	28%	0.28	C	S	.	.	H	α-helix	trans	-73.8	-8.8	175.7	-62.8	-49.4	-63.9	0	0	113.6	F250 D251 A256 G370	F250-Q254 HydrophobicContact CD1-CG 4.44Å; F250-Q254 HydrophobicContact CD2-CG 4.5Å; F250-Q254 HydrophobicContact CE1-CG 4.27Å; F250-Q254 HydrophobicContact CE2-CG 4.33Å; F250-Q254 HydrophobicContact CZ-CG 4.23Å; F250-Q254 WeakPolarHBondContact O-CB 3.16Å; F250-Q254 VanDerWaalsContact O-CG 3.32Å; F250-Q254 WeakPolarHBondContact O-CG 3.39Å; F250-Q254 PolarHBondContact O-N 3.4Å; D251-Q254 CarbonylContact O-C 3.58Å; D251-Q254 PolarHBondContact O-N 2.88Å; Q254-A256 PolarHBondContact O-N 2.97Å; Q254-G370 PolarHBondContact NE2-O 2.77Å
255	C	95	Very high	95.3	Very high	24 Å²	24	50.4 Å²	50.4	16%	0.162	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	37	-178.9	-55	0	0	0	0	112.5	D251 R252 L253 D258 M259	D251-C255 PolarHBondContact O-N 3.34Å; R252-C255 PolarHBondContact O-N 2.83Å; L253-C255 PolarHBondContact O-N 2.94Å; C255-D258 PolarHBondContact O-N 2.89Å; C255-M259 WeakPolarHBondContact CB-O 3.21Å
256	A	90.7	Very high	95.5	Very high	41 Å²	41	44.3 Å²	44.3	34%	0.339	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-58.6	143.2	-179.2	0	0	0	0	0	111.3	D251 Q254 D258 M259	D251-A256 HydrophobicContact CB-CB 4.21Å; D251-A256 PolarHBondContact O-N 3.01Å; Q254-A256 PolarHBondContact O-N 2.97Å; A256-D258 VanDerWaalsContact C-N 3.28Å; A256-D258 PolarHBondContact O-N 2.96Å; A256-M259 HydrophobicContact CB-CE 4.36Å; A256-M259 WeakPolarHBondContact O-CB 3.26Å; A256-M259 WeakPolarHBondContact O-CE 3.48Å; A256-M259 VanDerWaalsContact O-CG 3.27Å; A256-M259 WeakPolarHBondContact O-CG 3.5Å; A256-M259 PolarHBondContact O-N 3.27Å
257	G	87.8	Confident	95.6	Very high	77 Å²	77	43 Å²	43	79%	0.794	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	60.5	35.6	-177.9	0	0	0	0	0	113.7	M259	G257-M259 PolarHBondContact O-N 2.78Å; G257-M259 VanDerWaalsContact O-N 3.1Å
258	D	86.3	Confident	95.8	Very high	166 Å²	166	41.9 Å²	41.9	89%	0.888	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	57.2	22.1	-179.9	-54.4	-44.1	0	0	0	114.9	C255 A256 A260	C255-D258 PolarHBondContact O-N 2.89Å; A256-D258 VanDerWaalsContact C-N 3.28Å; A256-D258 PolarHBondContact O-N 2.96Å; D258-A260 PolarHBondContact O-N 2.65Å
259	M	91.2	Very high	95.8	Very high	62 Å²	62	42.3 Å²	42.3	31%	0.305	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-64.9	127.5	177.9	-72.5	-170.6	-74.9	0	0	112.1	D251 R252 C255 A256 G257	D251-M259 HydrophobicContact CB-CE 4.28Å; R252-M259 WeakPolarHBondContact CD-SD 3.49Å; R252-M259 HydrophobicContact CG-CE 4.49Å; C255-M259 WeakPolarHBondContact CB-O 3.21Å; A256-M259 HydrophobicContact CB-CE 4.36Å; A256-M259 WeakPolarHBondContact O-CB 3.26Å; A256-M259 WeakPolarHBondContact O-CE 3.48Å; A256-M259 VanDerWaalsContact O-CG 3.27Å; A256-M259 WeakPolarHBondContact O-CG 3.5Å; A256-M259 PolarHBondContact O-N 3.27Å; G257-M259 PolarHBondContact O-N 2.78Å; G257-M259 VanDerWaalsContact O-N 3.1Å
260	A	94.8	Very high	95.9	Very high	70 Å²	70	42.3 Å²	42.3	58%	0.579	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-51.4	137.2	-178.3	0	0	0	0	0	113.3	R252 D258	R252-A260 VanDerWaalsContact CZ-O 3.26Å; R252-A260 PolarHBondContact NH1-O 3.08Å; R252-A260 PolarHBondContact NH2-O 3.28Å; D258-A260 PolarHBondContact O-N 2.65Å
261	P	96.6	Very high	95.9	Very high	50 Å²	50	39.7 Å²	39.7	33%	0.325	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-57.4	138.8	-178.7	-26.8	35.4	0	0	0	113.7	K406 V407	P261-K406 HydrophobicContact CB-CB 4Å; P261-K406 HydrophobicContact CG-CB 3.79Å; P261-K406 WeakPolarHBondContact CG-O 3.39Å; P261-V407 HydrophobicContact CB-CG1 3.71Å
262	L	98.1	Very high	96	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-65.5	125.5	176.4	-66.8	174.7	0	0	0	110.6	L249 R252 L253 V266 R267 I270 L301 F305 V407	L249-L262 HydrophobicContact CD1-CD1 3.8Å; R252-L262 HydrophobicContact CB-CD1 3.79Å; R252-L262 HydrophobicContact CB-CD2 4.38Å; R252-L262 HydrophobicContact CB-CG 4.07Å; L253-L262 HydrophobicContact CD2-CD1 4.46Å; L262-V266 HydrophobicContact CD2-CG1 4Å; L262-R267 HydrophobicContact CB-CG 4Å; L262-R267 PolarHBondContact O-NE 3.37Å; L262-R267 PolarHBondContact O-NH2 2.94Å; L262-R267 VanDerWaalsContact O-NH2 3.09Å; L262-I270 HydrophobicContact CD1-CD1 4.09Å; L262-L301 HydrophobicContact CD1-CD1 4.34Å; L262-F305 HydrophobicContact CD2-CD1 3.88Å; L262-F305 HydrophobicContact CD2-CE1 3.89Å; L262-V407 WeakPolarHBondContact O-CG1 3.25Å
263	P	97.7	Very high	96.1	Very high	51 Å²	51	37.2 Å²	37.2	33%	0.331	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-75.2	157.8	177	31.7	-35.9	0	0	0	112	H265 V266 R267	P263-H265 VanDerWaalsContact C-N 3.28Å; P263-H265 PolarHBondContact O-N 2.75Å; P263-H265 VanDerWaalsContact O-N 3.15Å; P263-V266 HydrophobicContact CG-CB 4.14Å; P263-V266 HydrophobicContact CG-CG2 3.84Å; P263-V266 PolarHBondContact O-N 3.11Å; P263-R267 PolarHBondContact O-N 2.96Å
264	W	98.1	Very high	96.1	Very high	21 Å²	21	37.1 Å²	37.1	8%	0.08	24%	0.236	C	C	.	.	H	α-helix	trans	-55.5	-35.3	-173	-67.3	112.3	0	0	0	115.3	R267 I268 L368 L403 D404 V407 P408 C410 F414 L450	W264-R267 PolarHBondContact O-N 3.11Å; W264-I268 WeakPolarHBondContact O-CG2 3.46Å; W264-I268 PolarHBondContact O-N 3.22Å; W264-L368 WeakPolarHBondContact CH2-O 3.38Å; W264-L368 HydrophobicContact CZ3-CD2 4.24Å; W264-L403 HydrophobicContact CH2-CD2 3.92Å; W264-L403 HydrophobicContact CZ2-CD2 4.39Å; W264-D404 HydrophobicContact CH2-CB 4.41Å; W264-V407 HydrophobicContact CD2-CG2 4.44Å; W264-V407 HydrophobicContact CH2-CG2 4.48Å; W264-V407 HydrophobicContact CZ2-CG2 3.55Å; W264-P408 PolarHBondContact NE1-O 3.44Å; W264-C410 HydrophobicContact CB-CB 4.43Å; W264-C410 HydrophobicContact CD2-CB 3.92Å; W264-C410 HydrophobicContact CG-CB 3.73Å; W264-F414 HydrophobicContact CB-CE1 4.45Å; W264-F414 HydrophobicContact CB-CZ 4.49Å; W264-F414 HydrophobicContact CD2-CE1 4.3Å; W264-F414 AromaticContact CE3-CE1 3.84Å; W264-F414 HydrophobicContact CE3-CE1 3.84Å; W264-F414 HydrophobicContact CE3-CZ 4.41Å; W264-L450 HydrophobicContact CB-CD1 4Å; W264-L450 HydrophobicContact CB-CD2 4Å
265	H	97.6	Very high	96.2	Very high	93 Å²	93	35 Å²	35	43%	0.431	23%	0.226	S	C	.	.	H	α-helix	trans	-69	-36.6	178.7	62	-98.9	0	0	0	112.2	P263 I268 S269 L450	P263-H265 VanDerWaalsContact C-N 3.28Å; P263-H265 PolarHBondContact O-N 2.75Å; P263-H265 VanDerWaalsContact O-N 3.15Å; H265-I268 WeakPolarHBondContact O-CG2 3.25Å; H265-S269 WeakPolarHBondContact O-CB 3.08Å; H265-S269 PolarHBondContact O-N 3.1Å; H265-S269 VanDerWaalsContact O-N 3.12Å; H265-L450 HydrophobicContact CB-CD2 3.91Å
266	V	98.4	Very high	96.4	Very high	21 Å²	21	37.3 Å²	37.3	13%	0.127	23%	0.234	C	C	.	.	H	α-helix	trans	-69.1	-43.1	171.4	174	0	0	0	0	110.2	L262 P263 I268 S269 I270 F305	L262-V266 HydrophobicContact CD2-CG1 4Å; P263-V266 HydrophobicContact CG-CB 4.14Å; P263-V266 HydrophobicContact CG-CG2 3.84Å; P263-V266 PolarHBondContact O-N 3.11Å; V266-I268 PolarHBondContact O-N 2.86Å; V266-S269 PolarHBondContact O-N 2.87Å; V266-I270 HydrophobicContact CG1-CD1 3.61Å; V266-I270 HydrophobicContact CG1-CG1 4.26Å; V266-I270 WeakPolarHBondContact O-CB 3.5Å; V266-I270 WeakPolarHBondContact O-CG1 3.29Å; V266-I270 PolarHBondContact O-N 2.95Å; V266-F305 HydrophobicContact CG1-CB 3.69Å; V266-F305 HydrophobicContact CG1-CG 4.08Å
267	R	98.7	Very high	96.8	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-56.2	-48.3	177.4	-70.4	-171.5	-161.7	-142.6	1.5	112.8	L262 P263 W264 I270 L271 V367 D404	L262-R267 HydrophobicContact CB-CG 4Å; L262-R267 PolarHBondContact O-NE 3.37Å; L262-R267 PolarHBondContact O-NH2 2.94Å; L262-R267 VanDerWaalsContact O-NH2 3.09Å; P263-R267 PolarHBondContact O-N 2.96Å; W264-R267 PolarHBondContact O-N 3.11Å; R267-I270 PolarHBondContact O-N 3.1Å; R267-L271 WeakPolarHBondContact O-CG 3.47Å; R267-L271 PolarHBondContact O-N 3.36Å; R267-L271 VanDerWaalsContact O-N 3.14Å; R267-V367 HydrophobicContact CB-CG1 3.66Å; R267-V367 WeakPolarHBondContact CD-O 3.46Å; R267-V367 HydrophobicContact CG-CG1 4.02Å; R267-V367 PolarHBondContact NH1-O 3.09Å; R267-D404 IonicContact CZ-OD2 2.72Å; R267-D404 VanDerWaalsContact CZ-OD2 3.22Å; R267-D404 IonicContact NH1-OD2 2.88Å; R267-D404 PolarHBondContact NH1-OD2 2.85Å; R267-D404 IonicContact NH2-OD2 2.78Å; R267-D404 PolarHBondContact NH2-OD2 2.99Å
268	I	98.5	Very high	97.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-70.3	-35.8	178	-169	58.1	0	0	0	112	W264 H265 V266 I270 L271 I272 F414 L418 L443 Q447 L450	W264-I268 WeakPolarHBondContact O-CG2 3.46Å; W264-I268 PolarHBondContact O-N 3.22Å; H265-I268 WeakPolarHBondContact O-CG2 3.25Å; V266-I268 PolarHBondContact O-N 2.86Å; I268-I270 VanDerWaalsContact C-N 3.3Å; I268-I270 PolarHBondContact O-N 3.26Å; I268-L271 HydrophobicContact CD1-CB 4.46Å; I268-L271 HydrophobicContact CD1-CD1 4.39Å; I268-L271 PolarHBondContact O-N 2.76Å; I268-I272 HydrophobicContact CD1-CD1 4.47Å; I268-I272 HydrophobicContact CG1-CD1 3.95Å; I268-I272 HydrophobicContact CG1-CG1 4.48Å; I268-I272 WeakPolarHBondContact O-CG1 3.41Å; I268-I272 PolarHBondContact O-N 2.69Å; I268-F414 HydrophobicContact CB-CE2 4.02Å; I268-F414 HydrophobicContact CB-CZ 4.11Å; I268-F414 HydrophobicContact CG1-CE2 4.13Å; I268-F414 HydrophobicContact CG2-CE2 4.28Å; I268-L418 HydrophobicContact CD1-CD1 4.29Å; I268-L418 HydrophobicContact CD1-CD2 3.89Å; I268-L443 HydrophobicContact CD1-CB 4.32Å; I268-L443 HydrophobicContact CD1-CD2 3.67Å; I268-Q447 HydrophobicContact CG1-CB 3.89Å; I268-Q447 HydrophobicContact CG1-CG 4.4Å; I268-Q447 HydrophobicContact CG2-CB 4.26Å; I268-Q447 HydrophobicContact CG2-CG 3.88Å; I268-L450 HydrophobicContact CG2-CD2 4.1Å
269	S	98.6	Very high	97.8	Very high	35 Å²	35	26.1 Å²	26.1	25%	0.245	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-37.3	173.8	-165.4	0	0	0	0	112.4	H265 V266 I272 G273	H265-S269 WeakPolarHBondContact O-CB 3.08Å; H265-S269 PolarHBondContact O-N 3.1Å; H265-S269 VanDerWaalsContact O-N 3.12Å; V266-S269 PolarHBondContact O-N 2.87Å; S269-I272 PolarHBondContact O-N 2.79Å; S269-G273 PolarHBondContact O-N 2.81Å
270	I	98.9	Very high	98.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-66	-45.3	175.1	-74.1	165.7	0	0	0	111	L249 L262 V266 R267 I268 I272 G273 I274 I299 L301 P307	L249-I270 HydrophobicContact CD1-CD1 4.23Å; L249-I270 HydrophobicContact CD1-CG2 4.1Å; L249-I270 HydrophobicContact CD2-CG2 3.85Å; L262-I270 HydrophobicContact CD1-CD1 4.09Å; V266-I270 HydrophobicContact CG1-CD1 3.61Å; V266-I270 HydrophobicContact CG1-CG1 4.26Å; V266-I270 WeakPolarHBondContact O-CB 3.5Å; V266-I270 WeakPolarHBondContact O-CG1 3.29Å; V266-I270 PolarHBondContact O-N 2.95Å; R267-I270 PolarHBondContact O-N 3.1Å; I268-I270 VanDerWaalsContact C-N 3.3Å; I268-I270 PolarHBondContact O-N 3.26Å; I270-I272 VanDerWaalsContact C-N 3.35Å; I270-I272 PolarHBondContact O-N 3.34Å; I270-G273 PolarHBondContact O-N 3.26Å; I270-I274 PolarHBondContact O-N 3.12Å; I270-I274 VanDerWaalsContact O-N 3.07Å; I270-I299 HydrophobicContact CG2-CG2 4.43Å; I270-L301 HydrophobicContact CD1-CD1 3.73Å; I270-L301 HydrophobicContact CD1-CD2 3.67Å; I270-L301 HydrophobicContact CD1-CG 4.41Å; I270-L301 HydrophobicContact CG1-CD2 3.83Å; I270-L301 HydrophobicContact CG2-CD2 4.37Å; I270-P307 HydrophobicContact CG1-CB 4.49Å; I270-P307 HydrophobicContact CG2-CB 4.17Å
271	L	98.9	Very high	98.2	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-41.6	176.1	-69.1	176	0	0	0	111.8	R267 I268 S275 F360 V363 I364 V367 L443	R267-L271 WeakPolarHBondContact O-CG 3.47Å; R267-L271 PolarHBondContact O-N 3.36Å; R267-L271 VanDerWaalsContact O-N 3.14Å; I268-L271 HydrophobicContact CD1-CB 4.46Å; I268-L271 HydrophobicContact CD1-CD1 4.39Å; I268-L271 PolarHBondContact O-N 2.76Å; L271-S275 WeakPolarHBondContact O-CB 3.5Å; L271-S275 PolarHBondContact O-N 3.42Å; L271-S275 PolarHBondContact O-OG 3.16Å; L271-F360 HydrophobicContact CB-CZ 4.24Å; L271-F360 HydrophobicContact CD2-CE2 4.01Å; L271-F360 HydrophobicContact CD2-CZ 3.95Å; L271-F360 WeakPolarHBondContact O-CZ 3.32Å; L271-V363 HydrophobicContact CD2-CG1 4.33Å; L271-I364 HydrophobicContact CD1-CG1 4.2Å; L271-I364 HydrophobicContact CD1-CG2 4.19Å; L271-I364 HydrophobicContact CD2-CG1 3.9Å; L271-V367 HydrophobicContact CD1-CB 4.4Å; L271-V367 HydrophobicContact CD1-CG1 3.93Å; L271-V367 HydrophobicContact CD2-CB 4.41Å; L271-V367 HydrophobicContact CD2-CG2 4.08Å; L271-V367 HydrophobicContact CG-CG1 4.21Å; L271-L443 HydrophobicContact CB-CD1 4.23Å; L271-L443 HydrophobicContact CB-CD2 4.08Å; L271-L443 HydrophobicContact CD1-CD2 4.26Å
272	I	98.8	Very high	98.2	Very high	10 Å²	10	21.4 Å²	21.4	5%	0.051	11%	0.107	C	C	.	.	H	α-helix	trans	-66.2	-43.4	177.2	-69.3	164.6	0	0	0	111.7	I268 S269 I270 I274 S275 K276 L440 L443 E444 Q447	I268-I272 HydrophobicContact CD1-CD1 4.47Å; I268-I272 HydrophobicContact CG1-CD1 3.95Å; I268-I272 HydrophobicContact CG1-CG1 4.48Å; I268-I272 WeakPolarHBondContact O-CG1 3.41Å; I268-I272 PolarHBondContact O-N 2.69Å; S269-I272 PolarHBondContact O-N 2.79Å; I270-I272 VanDerWaalsContact C-N 3.35Å; I270-I272 PolarHBondContact O-N 3.34Å; I272-I274 PolarHBondContact O-N 2.98Å; I272-S275 WeakPolarHBondContact CA-OG 3.47Å; I272-S275 PolarHBondContact O-N 2.88Å; I272-S275 PolarHBondContact O-OG 3.2Å; I272-K276 HydrophobicContact CG2-CD 4.19Å; I272-K276 WeakPolarHBondContact O-CG 3.27Å; I272-K276 PolarHBondContact O-N 3.15Å; I272-L440 HydrophobicContact CG2-CD1 4.16Å; I272-L443 HydrophobicContact CD1-CB 4.48Å; I272-L443 HydrophobicContact CG1-CB 3.7Å; I272-E444 HydrophobicContact CD1-CG 4.04Å; I272-E444 HydrophobicContact CG1-CG 4.16Å; I272-E444 HydrophobicContact CG2-CG 4.01Å; I272-Q447 HydrophobicContact CD1-CB 3.87Å; I272-Q447 HydrophobicContact CD1-CG 4.31Å
273	G	98.8	Very high	98	Very high	6 Å²	6	25.8 Å²	25.8	6%	0.062	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-40.9	178.1	0	0	0	0	0	112.6	N223 S269 I270 A277	N223-G273 WeakPolarHBondContact CB-O 3.07Å; N223-G273 PolarHBondContact OD1-O 3.28Å; S269-G273 PolarHBondContact O-N 2.81Å; I270-G273 PolarHBondContact O-N 3.26Å; G273-A277 PolarHBondContact O-N 3.32Å; G273-A277 VanDerWaalsContact O-N 3.14Å
274	I	98.8	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-73	-39.2	176.6	-67.5	-60.1	0	0	0	112.2	I270 I272 K276 A277 I278 I299 P307 L309 F360	I270-I274 PolarHBondContact O-N 3.12Å; I270-I274 VanDerWaalsContact O-N 3.07Å; I272-I274 PolarHBondContact O-N 2.98Å; I274-K276 VanDerWaalsContact C-N 3.27Å; I274-K276 PolarHBondContact O-N 3.04Å; I274-A277 PolarHBondContact O-N 2.59Å; I274-A277 VanDerWaalsContact O-N 3.16Å; I274-I278 HydrophobicContact CG2-CD1 3.59Å; I274-I278 HydrophobicContact CG2-CG1 4.2Å; I274-I278 VanDerWaalsContact O-CG1 3.29Å; I274-I278 WeakPolarHBondContact O-CG1 3.48Å; I274-I278 PolarHBondContact O-N 3.21Å; I274-I299 HydrophobicContact CD1-CB 4.46Å; I274-I299 HydrophobicContact CD1-CD1 4.48Å; I274-I299 HydrophobicContact CD1-CG1 3.9Å; I274-I299 HydrophobicContact CD1-CG2 3.94Å; I274-I299 HydrophobicContact CG1-CD1 4Å; I274-I299 HydrophobicContact CG1-CG1 3.96Å; I274-I299 HydrophobicContact CG1-CG2 3.86Å; I274-I299 HydrophobicContact CG2-CD1 4.12Å; I274-I299 HydrophobicContact CG2-CG1 4.48Å; I274-P307 HydrophobicContact CD1-CB 3.8Å; I274-P307 HydrophobicContact CD1-CG 4.32Å; I274-P307 HydrophobicContact CG1-CB 3.7Å; I274-P307 HydrophobicContact CG1-CG 4.05Å; I274-L309 HydrophobicContact CD1-CB 3.98Å; I274-F360 HydrophobicContact CB-CE2 4.08Å; I274-F360 HydrophobicContact CG2-CD2 3.85Å; I274-F360 HydrophobicContact CG2-CE2 3.66Å
275	S	98.8	Very high	96.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-35.2	175.4	66.5	0	0	0	0	111.9	L271 I272 H279 L440 L443	L271-S275 WeakPolarHBondContact O-CB 3.5Å; L271-S275 PolarHBondContact O-N 3.42Å; L271-S275 PolarHBondContact O-OG 3.16Å; I272-S275 WeakPolarHBondContact CA-OG 3.47Å; I272-S275 PolarHBondContact O-N 2.88Å; I272-S275 PolarHBondContact O-OG 3.2Å; S275-H279 WeakPolarHBondContact O-CB 3.38Å; S275-H279 PolarHBondContact O-N 3.4Å; S275-L440 WeakPolarHBondContact OG-CD1 3.45Å; S275-L443 WeakPolarHBondContact OG-CD1 3.46Å
276	K	98.8	Very high	95.9	Very high	73 Å²	73	31.8 Å²	31.8	32%	0.317	17%	0.166	S	C	.	.	H	α-helix	trans	-62.1	-45.7	170.1	-73.1	176.7	-177	-178.2	0	112.8	I272 I274 I278 H279 Y280 L440 E444	I272-K276 HydrophobicContact CG2-CD 4.19Å; I272-K276 WeakPolarHBondContact O-CG 3.27Å; I272-K276 PolarHBondContact O-N 3.15Å; I274-K276 VanDerWaalsContact C-N 3.27Å; I274-K276 PolarHBondContact O-N 3.04Å; K276-I278 PolarHBondContact O-N 2.99Å; K276-H279 PolarHBondContact O-N 3.32Å; K276-Y280 WeakPolarHBondContact O-CB 3.33Å; K276-Y280 PolarHBondContact O-N 2.83Å; K276-L440 HydrophobicContact CD-CD1 4.37Å; K276-L440 HydrophobicContact CG-CD1 3.73Å; K276-L440 HydrophobicContact CG-CD2 3.84Å; K276-L440 HydrophobicContact CG-CG 4.47Å; K276-E444 WeakPolarHBondContact CE-OE1 3.35Å; K276-E444 IonicContact NZ-OE1 3.09Å; K276-E444 PolarHBondContact NZ-OE1 3.32Å
277	A	98.4	Very high	95.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-45.2	176.9	0	0	0	0	0	112.7	N223 I224 G273 I274 L281 L309	N223-A277 HydrophobicContact CB-CB 4.05Å; I224-A277 HydrophobicContact CG1-CB 4.02Å; G273-A277 PolarHBondContact O-N 3.32Å; G273-A277 VanDerWaalsContact O-N 3.14Å; I274-A277 PolarHBondContact O-N 2.59Å; I274-A277 VanDerWaalsContact O-N 3.16Å; A277-L281 WeakPolarHBondContact O-CG 3.45Å; A277-L281 PolarHBondContact O-N 2.97Å; A277-L281 VanDerWaalsContact O-N 3.09Å; A277-L309 HydrophobicContact CB-CB 4.45Å; A277-L309 HydrophobicContact CB-CD2 4.44Å
278	I	98.4	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.9	-43.8	179.5	-55.8	160	0	0	0	110.3	I274 K276 Y280 L281 H282 I294 L309 D356 F360 M436	I274-I278 HydrophobicContact CG2-CD1 3.59Å; I274-I278 HydrophobicContact CG2-CG1 4.2Å; I274-I278 VanDerWaalsContact O-CG1 3.29Å; I274-I278 WeakPolarHBondContact O-CG1 3.48Å; I274-I278 PolarHBondContact O-N 3.21Å; K276-I278 PolarHBondContact O-N 2.99Å; I278-Y280 VanDerWaalsContact C-N 3.32Å; I278-Y280 PolarHBondContact O-N 3.16Å; I278-L281 PolarHBondContact O-N 2.94Å; I278-H282 WeakPolarHBondContact CG2-NE2 3.5Å; I278-H282 WeakPolarHBondContact O-CB 3.4Å; I278-H282 PolarHBondContact O-CD2 3.26Å; I278-H282 VanDerWaalsContact O-CG 3.31Å; I278-H282 PolarHBondContact O-N 2.93Å; I278-I294 HydrophobicContact CD1-CD1 3.68Å; I278-I294 HydrophobicContact CD1-CG1 4.27Å; I278-I294 HydrophobicContact CD1-CG2 4.23Å; I278-I294 HydrophobicContact CG1-CD1 3.81Å; I278-I294 HydrophobicContact CG1-CG1 4.42Å; I278-I294 HydrophobicContact CG2-CD1 4.14Å; I278-L309 HydrophobicContact CG1-CD2 4.22Å; I278-D356 HydrophobicContact CG2-CB 4.12Å; I278-F360 HydrophobicContact CD1-CB 4.21Å; I278-F360 HydrophobicContact CD1-CD2 3.83Å; I278-F360 HydrophobicContact CD1-CE2 4.5Å; I278-F360 HydrophobicContact CD1-CG 4.1Å; I278-M436 HydrophobicContact CB-CE 4.18Å; I278-M436 HydrophobicContact CB-CG 4.46Å; I278-M436 HydrophobicContact CD1-CE 4.3Å; I278-M436 HydrophobicContact CG2-CE 4.38Å; I278-M436 HydrophobicContact CG2-CG 3.81Å; I278-M436 HydrophobicContact CG2-SD 4.17Å
279	H	98.1	Very high	94.7	Very high	50 Å²	50	32.5 Å²	32.5	23%	0.231	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-44.6	175.1	174.1	109.5	0	0	0	111.4	S275 K276 H282 N283 M436 D437	S275-H279 WeakPolarHBondContact O-CB 3.38Å; S275-H279 PolarHBondContact O-N 3.4Å; K276-H279 PolarHBondContact O-N 3.32Å; H279-H282 PolarHBondContact O-N 3.36Å; H279-N283 PolarHBondContact O-N 2.69Å; H279-N283 PolarHBondContact O-ND2 3.12Å; H279-M436 HydrophobicContact CB-CB 4.1Å; H279-D437 IonicContact CE1-OD1 3.01Å; H279-D437 PolarHBondContact CE1-OD1 3.14Å; H279-D437 IonicContact ND1-OD1 4Å
280	Y	97.8	Very high	94.5	Very high	70 Å²	70	30.9 Å²	30.9	28%	0.275	16%	0.16	S	C	.	.	H	α-helix	trans	-57.2	-55.7	175	164.7	-107.5	0	0	0	110.6	F219 H220 H221 I224 K276 I278 H282 N283 V284	F219-Y280 HydrophobicContact CB-CE1 3.94Å; H220-Y280 PolarHBondContact N-OH 3.41Å; H220-Y280 PolarHBondContact O-OH 3.39Å; H221-Y280 HydrophobicContact CB-CD1 3.69Å; H221-Y280 HydrophobicContact CB-CE1 3.83Å; H221-Y280 HydrophobicContact CB-CG 4.33Å; I224-Y280 HydrophobicContact CD1-CD1 4.04Å; I224-Y280 HydrophobicContact CD1-CE1 4.12Å; K276-Y280 WeakPolarHBondContact O-CB 3.33Å; K276-Y280 PolarHBondContact O-N 2.83Å; I278-Y280 VanDerWaalsContact C-N 3.32Å; I278-Y280 PolarHBondContact O-N 3.16Å; Y280-H282 VanDerWaalsContact C-N 3.28Å; Y280-H282 PolarHBondContact O-N 3.05Å; Y280-N283 CarbonylContact O-C 3.35Å; Y280-N283 PolarHBondContact O-N 3.47Å; Y280-V284 HydrophobicContact CD1-CG1 4.32Å; Y280-V284 HydrophobicContact CD2-CG1 4Å; Y280-V284 HydrophobicContact CE1-CG1 4.04Å; Y280-V284 HydrophobicContact CE2-CG1 3.68Å; Y280-V284 HydrophobicContact CG-CG1 4.31Å; Y280-V284 VanDerWaalsContact O-CG1 3.27Å; Y280-V284 WeakPolarHBondContact O-CG1 3.44Å; Y280-V284 PolarHBondContact O-N 3.28Å
281	L	96.3	Very high	94.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-35	179.2	-71.9	172.4	0	0	0	113.3	V215 F219 I224 A277 I278 N283 V289 L309 F312	V215-L281 HydrophobicContact CG1-CD2 4.4Å; F219-L281 HydrophobicContact CB-CD2 4.04Å; F219-L281 HydrophobicContact CD2-CD2 4.25Å; F219-L281 HydrophobicContact CG-CD2 4.23Å; I224-L281 HydrophobicContact CD1-CD1 3.84Å; I224-L281 HydrophobicContact CD1-CD2 3.98Å; I224-L281 HydrophobicContact CD1-CG 3.89Å; A277-L281 WeakPolarHBondContact O-CG 3.45Å; A277-L281 PolarHBondContact O-N 2.97Å; A277-L281 VanDerWaalsContact O-N 3.09Å; I278-L281 PolarHBondContact O-N 2.94Å; L281-N283 PolarHBondContact O-N 3.38Å; L281-V289 CarbonylContact C-O 3.55Å; L281-V289 HydrophobicContact CB-CB 4.25Å; L281-V289 HydrophobicContact CD2-CB 4.2Å; L281-V289 HydrophobicContact CD2-CG1 4.37Å; L281-V289 PolarHBondContact O-N 3.32Å; L281-L309 HydrophobicContact CD1-CD2 4.23Å; L281-F312 HydrophobicContact CD1-CE1 3.7Å; L281-F312 HydrophobicContact CD1-CZ 4.31Å
282	H	95.6	Very high	93.8	Very high	13 Å²	13	30.8 Å²	30.8	6%	0.06	16%	0.16	C	C	.	.	H	α-helix	trans	-68.1	-21.7	175.4	-72.9	-171.4	0	0	0	113.6	I278 H279 Y280 S288 V289 I353 D356 M436	I278-H282 WeakPolarHBondContact CG2-NE2 3.5Å; I278-H282 WeakPolarHBondContact O-CB 3.4Å; I278-H282 PolarHBondContact O-CD2 3.26Å; I278-H282 VanDerWaalsContact O-CG 3.31Å; I278-H282 PolarHBondContact O-N 2.93Å; H279-H282 PolarHBondContact O-N 3.36Å; Y280-H282 VanDerWaalsContact C-N 3.28Å; Y280-H282 PolarHBondContact O-N 3.05Å; H282-S288 WeakPolarHBondContact O-CB 3.38Å; H282-V289 PolarHBondContact CD2-O 3.14Å; H282-I353 HydrophobicContact CB-CG2 4.31Å; H282-I353 PolarHBondContact CE1-O 3.49Å; H282-I353 VanDerWaalsContact CE1-O 3.29Å; H282-D356 IonicContact CD2-OD2 3.86Å; H282-D356 IonicContact CE1-OD2 3.17Å; H282-D356 IonicContact NE2-OD2 2.63Å; H282-D356 PolarHBondContact NE2-OD2 3.48Å; H282-M436 WeakPolarHBondContact ND1-CG 3.21Å
283	N	93.9	Very high	93.5	Very high	93 Å²	93	30.3 Å²	30.3	50%	0.497	16%	0.158	S	C	.	.	H	α-helix	trans	-114.9	-0.1	-173.9	-69.9	-75.9	0	0	0	114.7	H279 Y280 L281	H279-N283 PolarHBondContact O-N 2.69Å; H279-N283 PolarHBondContact O-ND2 3.12Å; Y280-N283 CarbonylContact O-C 3.35Å; Y280-N283 PolarHBondContact O-N 3.47Å; L281-N283 PolarHBondContact O-N 3.38Å
284	V	89.5	Confident	93.4	Very high	13 Å²	13	30 Å²	30	8%	0.079	16%	0.155	C	C	.	.			trans	-61.6	155	175.5	-59.3	0	0	0	0	112.5	F219 Y280 C287 V289 H320	F219-V284 HydrophobicContact CD1-CB 3.95Å; F219-V284 HydrophobicContact CD1-CG1 3.78Å; F219-V284 HydrophobicContact CD1-CG2 3.91Å; F219-V284 HydrophobicContact CE1-CB 3.69Å; F219-V284 HydrophobicContact CE1-CG1 4.08Å; F219-V284 HydrophobicContact CE1-CG2 3.43Å; F219-V284 VanDerWaalsContact CE1-CG2 3.43Å; F219-V284 HydrophobicContact CE2-CG2 4.41Å; F219-V284 HydrophobicContact CG-CG1 4.5Å; F219-V284 HydrophobicContact CZ-CB 4.46Å; F219-V284 HydrophobicContact CZ-CG2 3.71Å; Y280-V284 HydrophobicContact CD1-CG1 4.32Å; Y280-V284 HydrophobicContact CD2-CG1 4Å; Y280-V284 HydrophobicContact CE1-CG1 4.04Å; Y280-V284 HydrophobicContact CE2-CG1 3.68Å; Y280-V284 HydrophobicContact CG-CG1 4.31Å; Y280-V284 VanDerWaalsContact O-CG1 3.27Å; Y280-V284 WeakPolarHBondContact O-CG1 3.44Å; Y280-V284 PolarHBondContact O-N 3.28Å; V284-C287 WeakPolarHBondContact CG2-O 3.35Å; V284-C287 CarbonylContact O-C 3.5Å; V284-V289 HydrophobicContact CG2-CG2 4.03Å; V284-H320 PolarHBondContact O-NE2 3.36Å
285	Q	82.4	Confident	93.3	Very high	164 Å²	164	30.3 Å²	30.3	77%	0.766	16%	0.157	S	C	*	.	S	Bend	trans	-113.7	150	177.5	-64.1	-175	16.1	0	0	109.6
286	P	78	Confident	93.3	Very high	114 Å²	114	30.3 Å²	30.3	74%	0.74	16%	0.157	S	C	*	.	S	Bend	cis	-79	-13.3	4.7	32.7	-37	0	0	0	114.8	H320	P286-H320 PolarHBondContact O-CD2 3.29Å
287	C	85	Confident	93.1	Very high	34 Å²	34	28.9 Å²	28.9	23%	0.23	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.5	-174.2	-69.9	0	0	0	0	110.6	V284 F317 R318	V284-C287 WeakPolarHBondContact CG2-O 3.35Å; V284-C287 CarbonylContact O-C 3.5Å; C287-F317 HydrophobicContact CB-CB 4.4Å; C287-F317 HydrophobicContact CB-CD1 4.45Å; C287-R318 CarbonylContact C-O 3.58Å; C287-R318 VanDerWaalsContact CA-O 3.25Å; C287-R318 WeakPolarHBondContact CA-O 3.4Å; C287-R318 VanDerWaalsContact CB-O 3.32Å; C287-R318 WeakPolarHBondContact CB-O 3.32Å
288	S	91.1	Very high	93	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	144	165.8	57.9	0	0	0	0	111.6	H282 F317 R318 H320	H282-S288 WeakPolarHBondContact O-CB 3.38Å; S288-F317 CarbonylContact O-C 3.59Å; S288-R318 PolarHBondContact N-O 3.02Å; S288-R318 PolarHBondContact O-N 3.02Å; S288-R318 WeakPolarHBondContact OG-CB 3.3Å; S288-R318 PolarHBondContact OG-O 3.22Å; S288-H320 PolarHBondContact N-NE2 3.45Å
289	V	93.6	Very high	93.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.2	173.9	177.4	0	0	0	0	109.2	V215 F219 L281 H282 V284 A315 F317	V215-V289 HydrophobicContact CG2-CG1 4.06Å; F219-V289 HydrophobicContact CD2-CG2 4.07Å; F219-V289 HydrophobicContact CE2-CG2 3.46Å; F219-V289 VanDerWaalsContact CE2-CG2 3.46Å; F219-V289 HydrophobicContact CZ-CG2 3.94Å; L281-V289 CarbonylContact C-O 3.55Å; L281-V289 HydrophobicContact CB-CB 4.25Å; L281-V289 HydrophobicContact CD2-CB 4.2Å; L281-V289 HydrophobicContact CD2-CG1 4.37Å; L281-V289 PolarHBondContact O-N 3.32Å; H282-V289 PolarHBondContact CD2-O 3.14Å; V284-V289 HydrophobicContact CG2-CG2 4.03Å; V289-A315 HydrophobicContact CG1-CB 4.17Å; V289-F317 HydrophobicContact CG2-CD1 3.98Å; V289-F317 HydrophobicContact CG2-CE1 3.99Å
290	I	94.4	Very high	93.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.2	169	-56.7	163.1	0	0	0	107	A315 H316 R318 L351 S352 I353 D356	I290-A315 CarbonylContact O-C 3.58Å; I290-A315 WeakPolarHBondContact O-CA 3.5Å; I290-H316 PolarHBondContact N-O 2.84Å; I290-H316 PolarHBondContact O-N 2.82Å; I290-R318 HydrophobicContact CD1-CB 4.49Å; I290-L351 HydrophobicContact CD1-CG 4.23Å; I290-L351 HydrophobicContact CG2-CD1 3.63Å; I290-L351 HydrophobicContact CG2-CD2 4.35Å; I290-L351 HydrophobicContact CG2-CG 3.91Å; I290-S352 WeakPolarHBondContact CG2-O 3.25Å; I290-I353 HydrophobicContact CG1-CG2 4.05Å; I290-D356 WeakPolarHBondContact CA-OD2 3.35Å
291	C	93.3	Very high	93.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.15	C	C	.	.			trans	-77.6	-45.6	-173.6	-57.2	0	0	0	0	112	S293 I294 M314 A315 D356	C291-S293 PolarHBondContact O-N 3.16Å; C291-S293 VanDerWaalsContact O-N 3.13Å; C291-S293 PolarHBondContact O-OG 2.99Å; C291-I294 HydrophobicContact CB-CD1 3.72Å; C291-I294 HydrophobicContact CB-CG1 3.79Å; C291-M314 CarbonylContact O-C 3.56Å; C291-A315 WeakPolarHBondContact O-CA 3.49Å; C291-A315 PolarHBondContact O-N 3.5Å; C291-D356 PolarHBondContact N-OD1 3.17Å; C291-D356 PolarHBondContact N-OD2 3.47Å
292	G	90.3	Very high	93.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	68.3	5.8	176.1	0	0	0	0	0	116.1	M314 H337 D356	G292-M314 WeakPolarHBondContact O-CE 3.34Å; G292-H337 PolarHBondContact O-CD2 2.77Å; G292-H337 VanDerWaalsContact O-CD2 3.26Å; G292-H337 PolarHBondContact O-NE2 3.37Å; G292-D356 PolarHBondContact N-OD1 2.86Å
293	S	91.5	Very high	93.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.171	C	C	.	.			trans	-138.7	6.7	-171.5	62.5	0	0	0	0	114.9	C291 S295 N298 D311 H337	C291-S293 PolarHBondContact O-N 3.16Å; C291-S293 VanDerWaalsContact O-N 3.13Å; C291-S293 PolarHBondContact O-OG 2.99Å; S293-S295 PolarHBondContact O-N 2.85Å; S293-S295 VanDerWaalsContact O-N 3.14Å; S293-S295 PolarHBondContact O-OG 3.16Å; S293-N298 PolarHBondContact O-ND2 3.04Å; S293-D311 VanDerWaalsContact CB-O 3.23Å; S293-D311 WeakPolarHBondContact CB-O 3.42Å; S293-D311 PolarHBondContact OG-O 3.13Å; S293-H337 VanDerWaalsContact CA-NE2 3.32Å; S293-H337 WeakPolarHBondContact CA-NE2 3.44Å; S293-H337 PolarHBondContact O-CE1 3.21Å; S293-H337 VanDerWaalsContact O-CE1 3.3Å
294	I	97.5	Very high	93.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.			trans	-66.6	110.9	-170.4	-66.5	154.6	0	0	0	111.8	I278 C291 L309 H337 D356 S359 F360	I278-I294 HydrophobicContact CD1-CD1 3.68Å; I278-I294 HydrophobicContact CD1-CG1 4.27Å; I278-I294 HydrophobicContact CD1-CG2 4.23Å; I278-I294 HydrophobicContact CG1-CD1 3.81Å; I278-I294 HydrophobicContact CG1-CG1 4.42Å; I278-I294 HydrophobicContact CG2-CD1 4.14Å; C291-I294 HydrophobicContact CB-CD1 3.72Å; C291-I294 HydrophobicContact CB-CG1 3.79Å; I294-L309 HydrophobicContact CG1-CD1 4.26Å; I294-H337 PolarHBondContact N-CE1 3.49Å; I294-H337 PolarHBondContact O-CE1 3.37Å; I294-D356 HydrophobicContact CD1-CB 3.42Å; I294-D356 VanDerWaalsContact CD1-CB 3.42Å; I294-D356 VanDerWaalsContact CD1-CG 3.47Å; I294-S359 WeakPolarHBondContact O-CB 3.32Å; I294-F360 HydrophobicContact CG2-CB 4.27Å
295	S	97.4	Very high	93.6	Very high	6 Å²	6	34 Å²	34	4%	0.042	19%	0.185	C	C	.	.	S	Bend	trans	-149.5	163.4	179.4	57	0	0	0	0	110.4	S293 A297 N298 I299 Y340	S293-S295 PolarHBondContact O-N 2.85Å; S293-S295 VanDerWaalsContact O-N 3.14Å; S293-S295 PolarHBondContact O-OG 3.16Å; S295-A297 PolarHBondContact O-N 3.22Å; S295-N298 CarbonylContact O-C 3.56Å; S295-N298 PolarHBondContact O-N 3.3Å; S295-N298 PolarHBondContact OG-N 3.42Å; S295-I299 WeakPolarHBondContact O-CG1 3.5Å; S295-I299 PolarHBondContact O-N 3.14Å; S295-Y340 VanDerWaalsContact CB-CZ 3.45Å
296	S	98.1	Very high	94.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63.5	-21.6	176.6	54	0	0	0	0	113.4	L249 F250 Y340 E366	L249-S296 WeakPolarHBondContact CB-O 3.45Å; L249-S296 PolarHBondContact N-O 3.29Å; F250-S296 PolarHBondContact N-O 2.99Å; S296-Y340 PolarHBondContact OG-OH 3.3Å; S296-E366 WeakPolarHBondContact CB-OE2 3.46Å; S296-E366 PolarHBondContact OG-OE2 3.13Å
297	A	95.6	Very high	95.3	Very high	43 Å²	43	24.3 Å²	24.3	36%	0.355	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-74.8	-32.7	171.1	0	0	0	0	0	112.9	T248 S295 I299	T248-A297 WeakPolarHBondContact CG2-O 3.17Å; S295-A297 PolarHBondContact O-N 3.22Å; A297-I299 VanDerWaalsContact C-N 3.3Å; A297-I299 PolarHBondContact O-N 2.89Å
298	N	96.4	Very high	95.9	Very high	28 Å²	28	24.4 Å²	24.4	15%	0.15	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-92.8	16.5	-179.5	-72.1	-12.3	0	0	0	113.4	S293 S295 T310 D311	S293-N298 PolarHBondContact O-ND2 3.04Å; S295-N298 CarbonylContact O-C 3.56Å; S295-N298 PolarHBondContact O-N 3.3Å; S295-N298 PolarHBondContact OG-N 3.42Å; N298-T310 HydrophobicContact CB-CG2 4.43Å; N298-T310 WeakPolarHBondContact O-CG2 3.34Å; N298-T310 PolarHBondContact O-N 3.45Å; N298-D311 HydrophobicContact CB-CB 4.27Å; N298-D311 WeakPolarHBondContact ND2-CB 3.41Å; N298-D311 PolarHBondContact ND2-OD2 3.4Å
299	I	98.6	Very high	96.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.7	170.6	-66.3	161.9	0	0	0	106.8	T248 L249 I270 I274 S295 A297 L301 P307 L309 V363	T248-I299 CarbonylContact C-O 3.39Å; T248-I299 WeakPolarHBondContact CA-O 3.29Å; L249-I299 HydrophobicContact CB-CB 4.02Å; L249-I299 HydrophobicContact CB-CG2 3.88Å; L249-I299 HydrophobicContact CD2-CB 4.32Å; L249-I299 HydrophobicContact CD2-CD1 3.99Å; L249-I299 HydrophobicContact CD2-CG2 4.06Å; L249-I299 PolarHBondContact N-O 3.22Å; I270-I299 HydrophobicContact CG2-CG2 4.43Å; I274-I299 HydrophobicContact CD1-CB 4.46Å; I274-I299 HydrophobicContact CD1-CD1 4.48Å; I274-I299 HydrophobicContact CD1-CG1 3.9Å; I274-I299 HydrophobicContact CD1-CG2 3.94Å; I274-I299 HydrophobicContact CG1-CD1 4Å; I274-I299 HydrophobicContact CG1-CG1 3.96Å; I274-I299 HydrophobicContact CG1-CG2 3.86Å; I274-I299 HydrophobicContact CG2-CD1 4.12Å; I274-I299 HydrophobicContact CG2-CG1 4.48Å; S295-I299 WeakPolarHBondContact O-CG1 3.5Å; S295-I299 PolarHBondContact O-N 3.14Å; A297-I299 VanDerWaalsContact C-N 3.3Å; A297-I299 PolarHBondContact O-N 2.89Å; I299-L301 HydrophobicContact CG2-CD2 4.38Å; I299-P307 HydrophobicContact CG2-CB 4.03Å; I299-L309 HydrophobicContact CG1-CD1 4.43Å; I299-V363 HydrophobicContact CD1-CG1 3.86Å; I299-V363 HydrophobicContact CD1-CG2 4.45Å
300	L	98.3	Very high	96.3	Very high	33 Å²	33	24.6 Å²	24.6	17%	0.173	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	154.7	175.9	-55.6	-175.4	0	0	0	110.9	L225 M244 G247 T248 P307 K308 T310	L225-L300 HydrophobicContact CD2-CD1 4.01Å; M244-L300 HydrophobicContact CB-CB 3.86Å; M244-L300 HydrophobicContact CB-CD1 4.18Å; M244-L300 HydrophobicContact CG-CB 3.69Å; M244-L300 HydrophobicContact CG-CD1 3.82Å; M244-L300 HydrophobicContact CG-CG 4.42Å; G247-L300 CarbonylContact O-C 3.56Å; G247-L300 WeakPolarHBondContact O-CA 3.17Å; T248-L300 HydrophobicContact CG2-CD2 3.78Å; L300-P307 CarbonylContact O-C 3.59Å; L300-P307 WeakPolarHBondContact O-CA 3.41Å; L300-K308 PolarHBondContact N-O 2.9Å; L300-K308 PolarHBondContact O-N 3.02Å; L300-T310 HydrophobicContact CD1-CG2 4.2Å; L300-T310 HydrophobicContact CG-CG2 3.99Å
301	L	98.4	Very high	96.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128	179.4	-56	-175.9	0	0	0	111.2	M244 N246 G247 R252 L262 I270 I299 F305 P307	M244-L301 WeakPolarHBondContact CB-O 3.32Å; N246-L301 HydrophobicContact CB-CB 3.7Å; N246-L301 WeakPolarHBondContact CB-O 3.43Å; N246-L301 PolarHBondContact N-O 3.31Å; G247-L301 PolarHBondContact O-N 2.82Å; R252-L301 HydrophobicContact CB-CD1 4.37Å; R252-L301 HydrophobicContact CG-CD1 4.12Å; L262-L301 HydrophobicContact CD1-CD1 4.34Å; I270-L301 HydrophobicContact CD1-CD1 3.73Å; I270-L301 HydrophobicContact CD1-CD2 3.67Å; I270-L301 HydrophobicContact CD1-CG 4.41Å; I270-L301 HydrophobicContact CG1-CD2 3.83Å; I270-L301 HydrophobicContact CG2-CD2 4.37Å; I299-L301 HydrophobicContact CG2-CD2 4.38Å; L301-F305 HydrophobicContact CB-CD1 4.47Å; L301-F305 HydrophobicContact CD1-CD1 3.98Å; L301-P307 HydrophobicContact CD2-CB 4.02Å
302	D	96.4	Very high	96.1	Very high	22 Å²	22	26.2 Å²	26.2	12%	0.118	14%	0.136	C	C	.	.			trans	-77.3	-177.4	173	68.1	23.5	0	0	0	112.7	M244 N246 Q304 F305 Q306 K308	M244-D302 HydrophobicContact CE-CB 4.39Å; M244-D302 HydrophobicContact SD-CB 3.73Å; N246-D302 PolarHBondContact ND2-O 3.27Å; D302-Q304 PolarHBondContact O-N 2.77Å; D302-Q304 VanDerWaalsContact O-N 3.15Å; D302-Q304 PolarHBondContact OD1-N 3.05Å; D302-Q304 VanDerWaalsContact OD1-N 3.09Å; D302-F305 PolarHBondContact O-N 2.94Å; D302-F305 PolarHBondContact OD1-N 2.99Å; D302-Q306 PolarHBondContact N-O 2.92Å; D302-Q306 VanDerWaalsContact N-O 3.13Å; D302-Q306 WeakPolarHBondContact OD1-CB 3.44Å; D302-Q306 PolarHBondContact OD1-N 3.27Å; D302-Q306 WeakPolarHBondContact OD2-CB 3.44Å; D302-K308 WeakPolarHBondContact OD2-CE 3.49Å; D302-K308 IonicContact OD2-NZ 2.81Å; D302-K308 PolarHBondContact OD2-NZ 2.91Å
303	D	94.8	Very high	95.9	Very high	74 Å²	74	26.4 Å²	26.4	40%	0.396	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.4	-178.3	-68	-37.9	0	0	0	113.4	R245	R245-D303 WeakPolarHBondContact CB-OD1 3.5Å; R245-D303 VanDerWaalsContact CD-OD1 3.26Å; R245-D303 WeakPolarHBondContact CD-OD1 3.5Å; R245-D303 VanDerWaalsContact CG-OD1 3.31Å; R245-D303 WeakPolarHBondContact CG-OD1 3.49Å; R245-D303 IonicContact CZ-OD1 2.69Å; R245-D303 IonicContact CZ-OD2 3.18Å; R245-D303 IonicContact NE-OD1 2.66Å; R245-D303 IonicContact NH1-OD1 3.28Å; R245-D303 PolarHBondContact NH1-OD1 3Å; R245-D303 IonicContact NH1-OD2 2.69Å; R245-D303 PolarHBondContact NH1-OD2 3.2Å
304	Q	96.4	Very high	95.7	Very high	131 Å²	131	27.3 Å²	27.3	61%	0.612	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	18.8	-179.2	-65	76.5	37.2	0	0	112.4	D302 Q306	D302-Q304 PolarHBondContact O-N 2.77Å; D302-Q304 VanDerWaalsContact O-N 3.15Å; D302-Q304 PolarHBondContact OD1-N 3.05Å; D302-Q304 VanDerWaalsContact OD1-N 3.09Å; Q304-Q306 HydrophobicContact CB-CG 4.24Å; Q304-Q306 PolarHBondContact O-N 3.33Å; Q304-Q306 VanDerWaalsContact O-N 3.12Å; Q304-Q306 PolarHBondContact O-NE2 3.09Å; Q304-Q306 VanDerWaalsContact O-NE2 3.14Å
305	F	97.5	Very high	95.4	Very high	57 Å²	57	27.6 Å²	27.6	25%	0.25	14%	0.144	C	C	.	.			trans	54.1	21.8	-173.1	-61	-75.3	0	0	0	114.3	N246 L262 V266 L301 D302	N246-F305 HydrophobicContact CB-CD1 3.98Å; N246-F305 HydrophobicContact CB-CE1 3.8Å; N246-F305 WeakPolarHBondContact OD1-CE1 3.29Å; N246-F305 WeakPolarHBondContact OD1-CZ 3.39Å; L262-F305 HydrophobicContact CD2-CD1 3.88Å; L262-F305 HydrophobicContact CD2-CE1 3.89Å; V266-F305 HydrophobicContact CG1-CB 3.69Å; V266-F305 HydrophobicContact CG1-CG 4.08Å; L301-F305 HydrophobicContact CB-CD1 4.47Å; L301-F305 HydrophobicContact CD1-CD1 3.98Å; D302-F305 PolarHBondContact O-N 2.94Å; D302-F305 PolarHBondContact OD1-N 2.99Å
306	Q	98.1	Very high	95	Very high	75 Å²	75	30.8 Å²	30.8	35%	0.35	16%	0.158	S	C	.	.			trans	-75.4	131.9	173.4	-54.8	-57.9	-61.3	0	0	108.7	D302 Q304	D302-Q306 PolarHBondContact N-O 2.92Å; D302-Q306 VanDerWaalsContact N-O 3.13Å; D302-Q306 WeakPolarHBondContact OD1-CB 3.44Å; D302-Q306 PolarHBondContact OD1-N 3.27Å; D302-Q306 WeakPolarHBondContact OD2-CB 3.44Å; Q304-Q306 HydrophobicContact CB-CG 4.24Å; Q304-Q306 PolarHBondContact O-N 3.33Å; Q304-Q306 VanDerWaalsContact O-N 3.12Å; Q304-Q306 PolarHBondContact O-NE2 3.09Å; Q304-Q306 VanDerWaalsContact O-NE2 3.14Å
307	P	98.7	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	145.6	-172.8	35.3	-40.1	0	0	0	111.5	N223 I270 I274 I299 L300 L301	N223-P307 WeakPolarHBondContact CA-O 3.43Å; N223-P307 WeakPolarHBondContact CB-O 3.28Å; N223-P307 PolarHBondContact ND2-O 3.15Å; I270-P307 HydrophobicContact CG1-CB 4.49Å; I270-P307 HydrophobicContact CG2-CB 4.17Å; I274-P307 HydrophobicContact CD1-CB 3.8Å; I274-P307 HydrophobicContact CD1-CG 4.32Å; I274-P307 HydrophobicContact CG1-CB 3.7Å; I274-P307 HydrophobicContact CG1-CG 4.05Å; I299-P307 HydrophobicContact CG2-CB 4.03Å; L300-P307 CarbonylContact O-C 3.59Å; L300-P307 WeakPolarHBondContact O-CA 3.41Å; L301-P307 HydrophobicContact CD2-CB 4.02Å
308	K	98.5	Very high	93.6	Very high	35 Å²	35	33 Å²	33	15%	0.152	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.2	172.5	-46.2	-63.1	167.1	179.2	0	109.1	P222 N223 L225 M244 L300 D302	P222-K308 PolarHBondContact O-NZ 2.66Å; N223-K308 WeakPolarHBondContact O-CA 3.37Å; L225-K308 HydrophobicContact CB-CB 4.04Å; L225-K308 HydrophobicContact CD1-CB 4.18Å; L225-K308 HydrophobicContact CD1-CG 4.36Å; M244-K308 HydrophobicContact CE-CG 4.48Å; M244-K308 HydrophobicContact SD-CG 3.64Å; L300-K308 PolarHBondContact N-O 2.9Å; L300-K308 PolarHBondContact O-N 3.02Å; D302-K308 WeakPolarHBondContact OD2-CE 3.49Å; D302-K308 IonicContact OD2-NZ 2.81Å; D302-K308 PolarHBondContact OD2-NZ 2.91Å
309	L	98.2	Very high	92.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137.1	170.6	-171.4	62	0	0	0	109.9	N223 L225 I274 A277 I278 L281 I294 I299 F312	N223-L309 PolarHBondContact O-N 3.32Å; L225-L309 WeakPolarHBondContact CB-O 3.4Å; L225-L309 PolarHBondContact N-O 3.43Å; I274-L309 HydrophobicContact CD1-CB 3.98Å; A277-L309 HydrophobicContact CB-CB 4.45Å; A277-L309 HydrophobicContact CB-CD2 4.44Å; I278-L309 HydrophobicContact CG1-CD2 4.22Å; L281-L309 HydrophobicContact CD1-CD2 4.23Å; I294-L309 HydrophobicContact CG1-CD1 4.26Å; I299-L309 HydrophobicContact CG1-CD1 4.43Å; L309-F312 HydrophobicContact CB-CZ 4.15Å; L309-F312 HydrophobicContact CD2-CE1 3.78Å; L309-F312 HydrophobicContact CD2-CZ 4Å; L309-F312 HydrophobicContact CG-CE1 3.94Å; L309-F312 HydrophobicContact CG-CZ 3.82Å
310	T	94.9	Very high	90.7	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.055	19%	0.187	C	C	.	.			trans	-136.3	-178.4	177.8	-167.5	0	0	0	0	111.3	N298 L300	N298-T310 HydrophobicContact CB-CG2 4.43Å; N298-T310 WeakPolarHBondContact O-CG2 3.34Å; N298-T310 PolarHBondContact O-N 3.45Å; L300-T310 HydrophobicContact CD1-CG2 4.2Å; L300-T310 HydrophobicContact CG-CG2 3.99Å
311	D	89.6	Confident	88.5	Confident	35 Å²	35	44.3 Å²	44.3	19%	0.187	22%	0.218	C	C	.	.			trans	63.2	59.1	176.7	-168.1	32.5	0	0	0	114.2	S293 N298 A313	S293-D311 VanDerWaalsContact CB-O 3.23Å; S293-D311 WeakPolarHBondContact CB-O 3.42Å; S293-D311 PolarHBondContact OG-O 3.13Å; N298-D311 HydrophobicContact CB-CB 4.27Å; N298-D311 WeakPolarHBondContact ND2-CB 3.41Å; N298-D311 PolarHBondContact ND2-OD2 3.4Å; D311-A313 PolarHBondContact O-N 3.19Å; D311-A313 VanDerWaalsContact O-N 3.15Å; D311-A313 VanDerWaalsContact OD1-CB 3.28Å; D311-A313 WeakPolarHBondContact OD1-CB 3.23Å
312	F	92.1	Very high	86.3	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-77.5	15.3	172.7	-55.5	-72.1	0	0	0	113.1	S211 V215 L216 I224 L281 L309 M314 A315	S211-F312 PolarHBondContact OG-O 3.17Å; V215-F312 HydrophobicContact CB-CB 3.95Å; V215-F312 HydrophobicContact CB-CG 4.18Å; V215-F312 HydrophobicContact CG1-CB 3.96Å; V215-F312 HydrophobicContact CG1-CD1 3.82Å; V215-F312 HydrophobicContact CG1-CD2 4.01Å; V215-F312 HydrophobicContact CG1-CE1 4.35Å; V215-F312 HydrophobicContact CG1-CG 3.63Å; V215-F312 HydrophobicContact CG2-CB 4.28Å; L216-F312 HydrophobicContact CD2-CD2 3.87Å; L216-F312 HydrophobicContact CD2-CE2 3.82Å; L216-F312 HydrophobicContact CG-CD2 4.05Å; I224-F312 HydrophobicContact CG1-CZ 4.35Å; I224-F312 HydrophobicContact CG2-CE2 3.8Å; I224-F312 HydrophobicContact CG2-CZ 3.9Å; L281-F312 HydrophobicContact CD1-CE1 3.7Å; L281-F312 HydrophobicContact CD1-CZ 4.31Å; L309-F312 HydrophobicContact CB-CZ 4.15Å; L309-F312 HydrophobicContact CD2-CE1 3.78Å; L309-F312 HydrophobicContact CD2-CZ 4Å; L309-F312 HydrophobicContact CG-CE1 3.94Å; L309-F312 HydrophobicContact CG-CZ 3.82Å; F312-M314 PolarHBondContact O-N 2.99Å; F312-M314 VanDerWaalsContact O-N 3.15Å; F312-A315 HydrophobicContact CB-CB 4.03Å; F312-A315 WeakPolarHBondContact O-CB 3.32Å; F312-A315 PolarHBondContact O-N 2.92Å
313	A	86.9	Confident	84.1	Confident	5 Å²	5	57.8 Å²	57.8	4%	0.041	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-62.8	-18.8	179.5	0	0	0	0	0	114.5	I176 R208 D311	I176-A313 HydrophobicContact CD1-CB 3.51Å; R208-A313 WeakPolarHBondContact CA-O 3.24Å; R208-A313 HydrophobicContact CB-CB 4.11Å; R208-A313 WeakPolarHBondContact CB-O 3.45Å; R208-A313 VanDerWaalsContact CG-O 3.24Å; R208-A313 WeakPolarHBondContact CG-O 3.24Å; D311-A313 PolarHBondContact O-N 3.19Å; D311-A313 VanDerWaalsContact O-N 3.15Å; D311-A313 VanDerWaalsContact OD1-CB 3.28Å; D311-A313 WeakPolarHBondContact OD1-CB 3.23Å
314	M	87.2	Confident	82.5	Confident	19 Å²	19	60.4 Å²	60.4	9%	0.094	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-110.7	13.4	173.5	-70.7	-177.8	53.3	0	0	112.9	C291 G292 F312 H316 Y345	C291-M314 CarbonylContact O-C 3.56Å; G292-M314 WeakPolarHBondContact O-CE 3.34Å; F312-M314 PolarHBondContact O-N 2.99Å; F312-M314 VanDerWaalsContact O-N 3.15Å; M314-H316 PolarHBondContact O-CD2 3.25Å; M314-H316 VanDerWaalsContact O-CD2 3.3Å; M314-Y345 WeakPolarHBondContact CE-OH 3.47Å
315	A	90.9	Very high	80.7	Confident	6 Å²	6	57.2 Å²	57.2	5%	0.05	28%	0.282	C	S	.	.			trans	-71.3	150.9	-178.6	0	0	0	0	0	112.3	S211 V215 V289 I290 C291 F312	S211-A315 PolarHBondContact OG-O 3.33Å; V215-A315 HydrophobicContact CG2-CB 3.88Å; V289-A315 HydrophobicContact CG1-CB 4.17Å; I290-A315 CarbonylContact O-C 3.58Å; I290-A315 WeakPolarHBondContact O-CA 3.5Å; C291-A315 WeakPolarHBondContact O-CA 3.49Å; C291-A315 PolarHBondContact O-N 3.5Å; F312-A315 HydrophobicContact CB-CB 4.03Å; F312-A315 WeakPolarHBondContact O-CB 3.32Å; F312-A315 PolarHBondContact O-N 2.92Å
316	H	89.1	Confident	79	Confident	72 Å²	72	56.6 Å²	56.6	33%	0.333	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	121.8	179.9	-79.6	-84.1	0	0	0	111.5	I290 M314 L351	I290-H316 PolarHBondContact N-O 2.84Å; I290-H316 PolarHBondContact O-N 2.82Å; M314-H316 PolarHBondContact O-CD2 3.25Å; M314-H316 VanDerWaalsContact O-CD2 3.3Å; H316-L351 HydrophobicContact CB-CD2 3.77Å; H316-L351 WeakPolarHBondContact CD2-CD2 3.38Å
317	F	86.2	Confident	77.6	Confident	71 Å²	71	57.8 Å²	57.8	31%	0.311	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	140.3	169.2	-64.9	-98.6	0	0	0	111.1	E214 V215 L218 F219 C287 S288 V289	E214-F317 HydrophobicContact CB-CE2 4.47Å; E214-F317 HydrophobicContact CB-CZ 4.43Å; E214-F317 VanDerWaalsContact CD-CE2 3.5Å; E214-F317 HydrophobicContact CG-CE2 3.97Å; E214-F317 HydrophobicContact CG-CZ 3.73Å; E214-F317 WeakPolarHBondContact OE2-CE2 3.49Å; V215-F317 HydrophobicContact CG2-CE2 4.11Å; V215-F317 HydrophobicContact CG2-CZ 4.02Å; L218-F317 HydrophobicContact CD1-CE1 4.14Å; L218-F317 HydrophobicContact CD1-CZ 4.17Å; F219-F317 AromaticContact CE2-CE1 3.53Å; F219-F317 HydrophobicContact CE2-CE1 3.53Å; F219-F317 HydrophobicContact CE2-CZ 4Å; F219-F317 AromaticContact CZ-CE1 3.85Å; F219-F317 HydrophobicContact CZ-CE1 3.85Å; C287-F317 HydrophobicContact CB-CB 4.4Å; C287-F317 HydrophobicContact CB-CD1 4.45Å; S288-F317 CarbonylContact O-C 3.59Å; V289-F317 HydrophobicContact CG2-CD1 3.98Å; V289-F317 HydrophobicContact CG2-CE1 3.99Å
318	R	78.8	Confident	76.3	Confident	18 Å²	18	59 Å²	59	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	124.8	176.6	171.9	-175.2	-123.5	88.6	23.7	111	C287 S288 I290 H323 Q324 S325 C326 L351	C287-R318 CarbonylContact C-O 3.58Å; C287-R318 VanDerWaalsContact CA-O 3.25Å; C287-R318 WeakPolarHBondContact CA-O 3.4Å; C287-R318 VanDerWaalsContact CB-O 3.32Å; C287-R318 WeakPolarHBondContact CB-O 3.32Å; S288-R318 PolarHBondContact N-O 3.02Å; S288-R318 PolarHBondContact O-N 3.02Å; S288-R318 WeakPolarHBondContact OG-CB 3.3Å; S288-R318 PolarHBondContact OG-O 3.22Å; I290-R318 HydrophobicContact CD1-CB 4.49Å; R318-H323 PolarHBondContact NE-O 3.41Å; R318-H323 PolarHBondContact NH2-O 3.41Å; R318-Q324 VanDerWaalsContact CZ-C 3.43Å; R318-S325 PolarHBondContact NH2-O 3.26Å; R318-C326 PolarHBondContact NH1-SG 3.3Å; R318-L351 PolarHBondContact NH1-O 2.93Å
319	S	70.1	Confident	74.4	Confident	37 Å²	37	63.8 Å²	63.8	26%	0.259	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	132.5	167.8	176.1	0	0	0	0	111.3	I321 E322	S319-I321 PolarHBondContact O-N 3.18Å; S319-I321 VanDerWaalsContact O-N 3.08Å; S319-I321 PolarHBondContact OG-N 3.33Å; S319-E322 PolarHBondContact O-N 3.24Å
320	H	63.8	Low	72.5	Confident	100 Å²	100	67.3 Å²	67.3	46%	0.463	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-11.1	175.1	-67.5	-73.4	0	0	0	113.7	V284 P286 S288	V284-H320 PolarHBondContact O-NE2 3.36Å; P286-H320 PolarHBondContact O-CD2 3.29Å; S288-H320 PolarHBondContact N-NE2 3.45Å
321	I	51.8	Low	70.4	Confident	164 Å²	164	71.9 Å²	71.9	84%	0.841	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-21	-177.6	-55.1	175.7	0	0	0	111.9	S319	S319-I321 PolarHBondContact O-N 3.18Å; S319-I321 VanDerWaalsContact O-N 3.08Å; S319-I321 PolarHBondContact OG-N 3.33Å
322	E	51.5	Low	68.6	Low	131 Å²	131	72 Å²	72	61%	0.612	38%	0.379	S	S	*	.	S	Bend	trans	-95.3	153.5	-175.6	-65.4	-171.2	166.2	0	0	113.4	S319 Q324	S319-E322 PolarHBondContact O-N 3.24Å; E322-Q324 PolarHBondContact O-N 2.81Å
323	H	51.8	Low	66.9	Low	174 Å²	174	73.4 Å²	73.4	81%	0.806	39%	0.389	S	S	*	.			trans	-49.7	136	176.5	-72.2	-61.5	0	0	0	112	R318 S325	R318-H323 PolarHBondContact NE-O 3.41Å; R318-H323 PolarHBondContact NH2-O 3.41Å; H323-S325 PolarHBondContact O-N 2.78Å
324	Q	60	Low	65.7	Low	129 Å²	129	74.4 Å²	74.4	60%	0.603	40%	0.396	S	S	*	.	S	Bend	trans	-68.4	7.7	-166.5	-67	-176.6	-6.2	0	0	116.8	R318 E322 S352	R318-Q324 VanDerWaalsContact CZ-C 3.43Å; E322-Q324 PolarHBondContact O-N 2.81Å; Q324-S352 WeakPolarHBondContact O-CB 3.15Å
325	S	59	Low	64.7	Low	63 Å²	63	78.1 Å²	78.1	44%	0.441	42%	0.424	S	S	.	.			trans	-133.3	126.7	173.2	63.8	0	0	0	0	111.6	R318 H323 L351	R318-S325 PolarHBondContact NH2-O 3.26Å; H323-S325 PolarHBondContact O-N 2.78Å; S325-L351 WeakPolarHBondContact CA-O 3.39Å
326	C	61.4	Low	63.7	Low	44 Å²	44	85.7 Å²	85.7	30%	0.297	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.6	171.2	49.5	0	0	0	0	109.4	R318 K350 L351	R318-C326 PolarHBondContact NH1-SG 3.3Å; C326-K350 CarbonylContact O-C 3.48Å; C326-K350 WeakPolarHBondContact O-CA 3.46Å; C326-L351 PolarHBondContact N-O 2.87Å; C326-L351 VanDerWaalsContact N-O 3.07Å; C326-L351 PolarHBondContact O-N 3.34Å; C326-L351 PolarHBondContact SG-O 3.3Å
327	T	69.6	Low	63.5	Low	100 Å²	100	82.6 Å²	82.6	61%	0.613	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.5	174.5	-77.4	0	0	0	0	109.5	Q348 G349	T327-Q348 WeakPolarHBondContact CG2-O 3.47Å; T327-Q348 PolarHBondContact OG1-O 3.38Å; T327-G349 CarbonylContact C-O 3.36Å; T327-G349 WeakPolarHBondContact CA-O 3.43Å
328	I	70.7	Confident	63.6	Low	25 Å²	25	82.1 Å²	82.1	13%	0.128	44%	0.442	C	S	.	.			trans	-108.6	155.4	176.9	68.8	164.4	0	0	0	111.7	M330 Y345 G349 L351	I328-M330 PolarHBondContact O-N 3.48Å; I328-M330 VanDerWaalsContact O-N 3.15Å; I328-Y345 HydrophobicContact CD1-CE2 3.79Å; I328-Y345 HydrophobicContact CG1-CE2 4.26Å; I328-G349 PolarHBondContact N-O 2.77Å; I328-L351 HydrophobicContact CD1-CD2 4.22Å
329	N	59.6	Low	64.3	Low	137 Å²	137	86.8 Å²	86.8	73%	0.733	46%	0.459	S	S	*	.			trans	-73	105.5	176.1	-77.3	-19.4	0	0	0	110.5	T331 S332	N329-T331 PolarHBondContact O-N 2.59Å; N329-S332 PolarHBondContact O-N 3.33Å; N329-S332 PolarHBondContact O-OG 2.88Å
330	M	57.5	Low	65.5	Low	74 Å²	74	85.5 Å²	85.5	37%	0.365	45%	0.449	S	S	.	.	S	Bend	trans	-52.3	-17	-175.4	-89.6	-177.5	70.7	0	0	116.6	I328 S332 S333 Y345 I346	I328-M330 PolarHBondContact O-N 3.48Å; I328-M330 VanDerWaalsContact O-N 3.15Å; M330-S332 PolarHBondContact O-N 2.76Å; M330-S333 PolarHBondContact O-N 3.48Å; M330-S333 VanDerWaalsContact O-N 3.14Å; M330-S333 PolarHBondContact O-OG 3.12Å; M330-S333 VanDerWaalsContact O-OG 3.07Å; M330-Y345 VanDerWaalsContact SD-O 3.42Å; M330-I346 HydrophobicContact CE-CG2 4.36Å; M330-I346 WeakPolarHBondContact CE-O 3.3Å; M330-I346 VanDerWaalsContact SD-C 3.55Å
331	T	50.8	Low	67	Low	105 Å²	105	81 Å²	81	64%	0.644	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	15.8	174.5	75.7	0	0	0	0	114.7	K204 N329	K204-T331 PolarHBondContact NZ-O 3.33Å; K204-T331 PolarHBondContact NZ-OG1 3.39Å; N329-T331 PolarHBondContact O-N 2.59Å
332	S	51.6	Low	69	Low	37 Å²	37	73.2 Å²	73.2	26%	0.259	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-7.6	178.5	51.2	0	0	0	0	113.5	R208 N329 M330	R208-S332 PolarHBondContact NH2-O 3.25Å; N329-S332 PolarHBondContact O-N 3.33Å; N329-S332 PolarHBondContact O-OG 2.88Å; M330-S332 PolarHBondContact O-N 2.76Å
333	S	56.3	Low	70.9	Confident	30 Å²	30	71.1 Å²	71.1	21%	0.21	38%	0.379	C	S	.	.			trans	-77.8	133.7	-179.9	-41	0	0	0	0	111.2	M330 Y345	M330-S333 PolarHBondContact O-N 3.48Å; M330-S333 VanDerWaalsContact O-N 3.14Å; M330-S333 PolarHBondContact O-OG 3.12Å; M330-S333 VanDerWaalsContact O-OG 3.07Å; S333-Y345 WeakPolarHBondContact OG-CE1 3.4Å; S333-Y345 PolarHBondContact OG-OH 3.4Å
334	S	61.9	Low	72.8	Confident	26 Å²	26	64.2 Å²	64.2	18%	0.182	35%	0.346	C	S	.	.			trans	-75	142.3	172.3	69.5	0	0	0	0	110.8	E175 K336 H337 L338	E175-S334 WeakPolarHBondContact OE2-CA 3.46Å; E175-S334 WeakPolarHBondContact OE2-CB 3.47Å; S334-K336 VanDerWaalsContact C-N 3.26Å; S334-K336 PolarHBondContact O-N 3.05Å; S334-H337 PolarHBondContact O-N 3.16Å; S334-H337 VanDerWaalsContact O-N 3.16Å; S334-H337 VanDerWaalsContact OG-CB 3.28Å; S334-H337 WeakPolarHBondContact OG-CB 3.47Å; S334-L338 PolarHBondContact O-N 3.18Å
335	S	65.7	Low	74.3	Confident	98 Å²	98	58.1 Å²	58.1	69%	0.685	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.4	-174.5	56.9	0	0	0	0	113.5
336	K	70	Confident	75.7	Confident	164 Å²	164	58.1 Å²	58.1	71%	0.713	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-31.4	177.4	-63.6	-178.1	-179.2	178.9	0	112.8	S334	S334-K336 VanDerWaalsContact C-N 3.26Å; S334-K336 PolarHBondContact O-N 3.05Å
337	H	85.5	Confident	76.9	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.037	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-13.6	-176.2	-163.6	59.1	0	0	0	113.6	G292 S293 I294 S334 W339 Y340 M341	G292-H337 PolarHBondContact O-CD2 2.77Å; G292-H337 VanDerWaalsContact O-CD2 3.26Å; G292-H337 PolarHBondContact O-NE2 3.37Å; S293-H337 VanDerWaalsContact CA-NE2 3.32Å; S293-H337 WeakPolarHBondContact CA-NE2 3.44Å; S293-H337 PolarHBondContact O-CE1 3.21Å; S293-H337 VanDerWaalsContact O-CE1 3.3Å; I294-H337 PolarHBondContact N-CE1 3.49Å; I294-H337 PolarHBondContact O-CE1 3.37Å; S334-H337 PolarHBondContact O-N 3.16Å; S334-H337 VanDerWaalsContact O-N 3.16Å; S334-H337 VanDerWaalsContact OG-CB 3.28Å; S334-H337 WeakPolarHBondContact OG-CB 3.47Å; H337-W339 PolarHBondContact O-N 3.15Å; H337-W339 VanDerWaalsContact O-N 3.09Å; H337-Y340 VanDerWaalsContact CE1-CB 3.46Å; H337-Y340 WeakPolarHBondContact CE1-CB 3.22Å; H337-Y340 AromaticContact CE1-CG 3.9Å; H337-Y340 AromaticContact ND1-CD2 3.84Å; H337-Y340 PolarHBondContact O-N 3.42Å; H337-M341 WeakPolarHBondContact NE2-CE 3.43Å
338	L	88.7	Confident	77.7	Confident	61 Å²	61	64.8 Å²	64.8	32%	0.319	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-53	-35.1	-178.5	-172.6	64.5	0	0	0	113.6	S334 Y340 M341 I346	S334-L338 PolarHBondContact O-N 3.18Å; L338-Y340 PolarHBondContact O-N 3.48Å; L338-M341 WeakPolarHBondContact O-CB 3.41Å; L338-M341 PolarHBondContact O-N 3.49Å; L338-I346 HydrophobicContact CD1-CD1 3.82Å; L338-I346 HydrophobicContact CD1-CG1 3.79Å; L338-I346 HydrophobicContact CD1-CG2 4.45Å; L338-I346 HydrophobicContact CG-CD1 4.37Å
339	W	92.5	Very high	78.4	Confident	115 Å²	115	63.8 Å²	63.8	44%	0.436	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-67.5	-15.1	178.8	-49.9	118.6	0	0	0	114.7	H337 I362 V373 V374 Q382	H337-W339 PolarHBondContact O-N 3.15Å; H337-W339 VanDerWaalsContact O-N 3.09Å; W339-I362 WeakPolarHBondContact O-CD1 3.16Å; W339-V373 HydrophobicContact CB-CG1 4.1Å; W339-V373 HydrophobicContact CB-CG2 3.77Å; W339-V374 HydrophobicContact CB-CG2 4.42Å; W339-V374 HydrophobicContact CD2-CG2 3.68Å; W339-V374 HydrophobicContact CE3-CG2 4.05Å; W339-V374 HydrophobicContact CG-CG2 3.84Å; W339-Q382 HydrophobicContact CE3-CG 4.35Å
340	Y	96.5	Very high	79.7	Confident	11 Å²	11	60.6 Å²	60.6	4%	0.043	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-96.2	-4.5	174.3	-64	-94.9	0	0	0	112.3	S295 S296 H337 L338 Y358 S359 I362 V363 E366 V373	S295-Y340 VanDerWaalsContact CB-CZ 3.45Å; S296-Y340 PolarHBondContact OG-OH 3.3Å; H337-Y340 VanDerWaalsContact CE1-CB 3.46Å; H337-Y340 WeakPolarHBondContact CE1-CB 3.22Å; H337-Y340 AromaticContact CE1-CG 3.9Å; H337-Y340 AromaticContact ND1-CD2 3.84Å; H337-Y340 PolarHBondContact O-N 3.42Å; L338-Y340 PolarHBondContact O-N 3.48Å; Y340-Y358 VanDerWaalsContact O-CD1 3.22Å; Y340-Y358 WeakPolarHBondContact O-CD1 3.46Å; Y340-Y358 WeakPolarHBondContact O-CE1 3.46Å; Y340-S359 PolarHBondContact O-OG 2.59Å; Y340-I362 HydrophobicContact CD1-CB 4.17Å; Y340-I362 HydrophobicContact CD1-CG2 3.78Å; Y340-I362 HydrophobicContact CE1-CG2 3.8Å; Y340-V363 HydrophobicContact CD1-CG2 4.47Å; Y340-V363 HydrophobicContact CE1-CG2 4.09Å; Y340-E366 PolarHBondContact OH-OE1 2.88Å; Y340-E366 PolarHBondContact OH-OE2 2.88Å; Y340-V373 HydrophobicContact CE2-CB 4.35Å; Y340-V373 HydrophobicContact CE2-CG1 3.94Å; Y340-V373 HydrophobicContact CE2-CG2 4.4Å
341	M	94.4	Very high	81.2	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.025	28%	0.283	C	S	.	.			trans	-91.9	142.6	-173.7	-65.9	-72.3	87	0	0	113.1	H337 L338 Y345 I346 T355 Y358 S359	H337-M341 WeakPolarHBondContact NE2-CE 3.43Å; L338-M341 WeakPolarHBondContact O-CB 3.41Å; L338-M341 PolarHBondContact O-N 3.49Å; M341-Y345 HydrophobicContact CB-CD1 3.78Å; M341-Y345 HydrophobicContact CB-CE1 4.34Å; M341-Y345 HydrophobicContact CB-CG 4.4Å; M341-Y345 HydrophobicContact CG-CD1 3.77Å; M341-Y345 HydrophobicContact CG-CE1 3.83Å; M341-Y345 HydrophobicContact CG-CG 4.48Å; M341-Y345 HydrophobicContact SD-CD1 3.67Å; M341-Y345 HydrophobicContact SD-CD2 4.13Å; M341-Y345 HydrophobicContact SD-CE1 3.65Å; M341-Y345 HydrophobicContact SD-CE2 4.09Å; M341-Y345 HydrophobicContact SD-CG 3.92Å; M341-I346 HydrophobicContact CB-CD1 3.95Å; M341-I346 HydrophobicContact CB-CG1 3.85Å; M341-I346 WeakPolarHBondContact O-CD1 3.46Å; M341-T355 HydrophobicContact CE-CG2 3.84Å; M341-T355 HydrophobicContact SD-CG2 4.04Å; M341-Y358 WeakPolarHBondContact O-CE1 3.39Å; M341-S359 VanDerWaalsContact CE-OG 3.23Å; M341-S359 WeakPolarHBondContact CE-OG 3.28Å
342	P	94.7	Very high	83.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.			trans	-81.2	160.8	178	33.1	-36.2	0	0	0	112.8	E344 Y345 I346 T355 Y358	P342-E344 VanDerWaalsContact C-N 3.32Å; P342-E344 WeakPolarHBondContact CB-OE1 3.48Å; P342-E344 VanDerWaalsContact CG-OE1 3.26Å; P342-E344 WeakPolarHBondContact CG-OE1 3.41Å; P342-E344 PolarHBondContact O-N 3.01Å; P342-Y345 WeakPolarHBondContact O-CB 3.41Å; P342-Y345 PolarHBondContact O-N 3.18Å; P342-I346 WeakPolarHBondContact O-CG1 3.29Å; P342-I346 PolarHBondContact O-N 3.43Å; P342-T355 HydrophobicContact CG-CG2 3.99Å; P342-Y358 HydrophobicContact CB-CD1 3.81Å; P342-Y358 HydrophobicContact CB-CD2 3.84Å; P342-Y358 HydrophobicContact CB-CE1 3.97Å; P342-Y358 HydrophobicContact CB-CE2 3.97Å; P342-Y358 HydrophobicContact CB-CG 3.74Å; P342-Y358 HydrophobicContact CG-CD1 4.28Å; P342-Y358 HydrophobicContact CG-CG 4.34Å
343	E	91.6	Very high	85.2	Confident	88 Å²	88	52.7 Å²	52.7	41%	0.411	25%	0.252	S	S	.	.	H	α-helix	trans	-57.3	-38.6	-177.3	-171	-176.7	-174	0	0	113.3	Y345 I346 R347 T428	E343-Y345 VanDerWaalsContact C-N 3.25Å; E343-Y345 PolarHBondContact O-N 3.12Å; E343-I346 PolarHBondContact O-N 3.38Å; E343-R347 HydrophobicContact CG-CG 3.88Å; E343-R347 WeakPolarHBondContact O-CB 3.34Å; E343-R347 PolarHBondContact O-N 2.76Å; E343-R347 WeakPolarHBondContact OE1-CD 3.09Å; E343-R347 IonicContact OE1-CZ 3.79Å; E343-R347 IonicContact OE1-NE 2.69Å; E343-R347 IonicContact OE1-NH1 2.69Å; E343-R347 PolarHBondContact OE1-NH1 3.36Å; E343-T428 HydrophobicContact CB-CG2 4.43Å
344	E	90.9	Very high	87.1	Confident	28 Å²	28	53.2 Å²	53.2	13%	0.131	25%	0.251	C	S	.	.	H	α-helix	trans	-67.4	-25.9	178.5	73.9	-76.6	174.6	0	0	113.4	P342 Q348 G349 K350 R433	P342-E344 VanDerWaalsContact C-N 3.32Å; P342-E344 WeakPolarHBondContact CB-OE1 3.48Å; P342-E344 VanDerWaalsContact CG-OE1 3.26Å; P342-E344 WeakPolarHBondContact CG-OE1 3.41Å; P342-E344 PolarHBondContact O-N 3.01Å; E344-Q348 CarbonylContact O-C 3.55Å; E344-Q348 WeakPolarHBondContact O-CA 3.25Å; E344-Q348 VanDerWaalsContact O-CB 3.28Å; E344-Q348 WeakPolarHBondContact O-CB 3.42Å; E344-Q348 PolarHBondContact O-N 3.15Å; E344-Q348 VanDerWaalsContact O-N 3.1Å; E344-G349 PolarHBondContact O-N 3.01Å; E344-K350 HydrophobicContact CB-CB 4.25Å; E344-K350 HydrophobicContact CG-CB 4.03Å; E344-K350 WeakPolarHBondContact O-CB 3.24Å; E344-K350 PolarHBondContact O-N 3.09Å; E344-R433 VanDerWaalsContact CD-NH2 3.34Å; E344-R433 IonicContact OE1-CZ 2.7Å; E344-R433 VanDerWaalsContact OE1-CZ 3.3Å; E344-R433 IonicContact OE1-NH1 2.65Å; E344-R433 PolarHBondContact OE1-NH1 2.82Å; E344-R433 IonicContact OE1-NH2 3.94Å; E344-R433 PolarHBondContact OE1-NH2 3.25Å; E344-R433 IonicContact OE2-CZ 3.06Å; E344-R433 IonicContact OE2-NH1 3.74Å; E344-R433 IonicContact OE2-NH2 3.38Å; E344-R433 PolarHBondContact OE2-NH2 3.25Å
345	Y	90.6	Very high	88.7	Confident	2 Å²	2	52 Å²	52	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-73	-51.7	169.6	-177.8	-85.5	0	0	0	109.9	M314 I328 M330 S333 M341 P342 E343 R347 G349 L351 T355	M314-Y345 WeakPolarHBondContact CE-OH 3.47Å; I328-Y345 HydrophobicContact CD1-CE2 3.79Å; I328-Y345 HydrophobicContact CG1-CE2 4.26Å; M330-Y345 VanDerWaalsContact SD-O 3.42Å; S333-Y345 WeakPolarHBondContact OG-CE1 3.4Å; S333-Y345 PolarHBondContact OG-OH 3.4Å; M341-Y345 HydrophobicContact CB-CD1 3.78Å; M341-Y345 HydrophobicContact CB-CE1 4.34Å; M341-Y345 HydrophobicContact CB-CG 4.4Å; M341-Y345 HydrophobicContact CG-CD1 3.77Å; M341-Y345 HydrophobicContact CG-CE1 3.83Å; M341-Y345 HydrophobicContact CG-CG 4.48Å; M341-Y345 HydrophobicContact SD-CD1 3.67Å; M341-Y345 HydrophobicContact SD-CD2 4.13Å; M341-Y345 HydrophobicContact SD-CE1 3.65Å; M341-Y345 HydrophobicContact SD-CE2 4.09Å; M341-Y345 HydrophobicContact SD-CG 3.92Å; P342-Y345 WeakPolarHBondContact O-CB 3.41Å; P342-Y345 PolarHBondContact O-N 3.18Å; E343-Y345 VanDerWaalsContact C-N 3.25Å; E343-Y345 PolarHBondContact O-N 3.12Å; Y345-R347 VanDerWaalsContact C-N 3.28Å; Y345-R347 PolarHBondContact O-N 3.3Å; Y345-G349 VanDerWaalsContact O-CA 3.25Å; Y345-G349 WeakPolarHBondContact O-CA 3.32Å; Y345-G349 PolarHBondContact O-N 2.78Å; Y345-L351 HydrophobicContact CD2-CB 4.34Å; Y345-L351 HydrophobicContact CD2-CD1 4.16Å; Y345-L351 HydrophobicContact CE2-CB 4.41Å; Y345-L351 HydrophobicContact CE2-CD1 4.07Å; Y345-T355 HydrophobicContact CD2-CG2 4.29Å
346	I	89.3	Confident	90.2	Very high	62 Å²	62	47.3 Å²	47.3	32%	0.318	21%	0.209	S	C	.	.	H	α-helix	trans	-67	-22.2	-175.7	-61	176.4	0	0	0	113.4	M330 L338 M341 P342 E343	M330-I346 HydrophobicContact CE-CG2 4.36Å; M330-I346 WeakPolarHBondContact CE-O 3.3Å; M330-I346 VanDerWaalsContact SD-C 3.55Å; L338-I346 HydrophobicContact CD1-CD1 3.82Å; L338-I346 HydrophobicContact CD1-CG1 3.79Å; L338-I346 HydrophobicContact CD1-CG2 4.45Å; L338-I346 HydrophobicContact CG-CD1 4.37Å; M341-I346 HydrophobicContact CB-CD1 3.95Å; M341-I346 HydrophobicContact CB-CG1 3.85Å; M341-I346 WeakPolarHBondContact O-CD1 3.46Å; P342-I346 WeakPolarHBondContact O-CG1 3.29Å; P342-I346 PolarHBondContact O-N 3.43Å; E343-I346 PolarHBondContact O-N 3.38Å
347	R	87.3	Confident	91.6	Very high	184 Å²	184	39.6 Å²	39.6	69%	0.694	18%	0.176	S	C	*	.	H	α-helix	trans	-115	-19.2	-178.1	-61	-174.2	73.1	171	3.9	115.2	E343 Y345	E343-R347 HydrophobicContact CG-CG 3.88Å; E343-R347 WeakPolarHBondContact O-CB 3.34Å; E343-R347 PolarHBondContact O-N 2.76Å; E343-R347 WeakPolarHBondContact OE1-CD 3.09Å; E343-R347 IonicContact OE1-CZ 3.79Å; E343-R347 IonicContact OE1-NE 2.69Å; E343-R347 IonicContact OE1-NH1 2.69Å; E343-R347 PolarHBondContact OE1-NH1 3.36Å; Y345-R347 VanDerWaalsContact C-N 3.28Å; Y345-R347 PolarHBondContact O-N 3.3Å
348	Q	86	Confident	92.2	Very high	101 Å²	101	39.8 Å²	39.8	47%	0.472	18%	0.177	S	C	.	.	H	α-helix	trans	-134.3	4.1	-172.4	-46.3	179.6	9.9	0	0	112.6	T327 E344 K350	T327-Q348 WeakPolarHBondContact CG2-O 3.47Å; T327-Q348 PolarHBondContact OG1-O 3.38Å; E344-Q348 CarbonylContact O-C 3.55Å; E344-Q348 WeakPolarHBondContact O-CA 3.25Å; E344-Q348 VanDerWaalsContact O-CB 3.28Å; E344-Q348 WeakPolarHBondContact O-CB 3.42Å; E344-Q348 PolarHBondContact O-N 3.15Å; E344-Q348 VanDerWaalsContact O-N 3.1Å; Q348-K350 HydrophobicContact CB-CD 4.01Å; Q348-K350 HydrophobicContact CB-CG 3.99Å; Q348-K350 PolarHBondContact O-N 2.73Å; Q348-K350 VanDerWaalsContact O-N 3.16Å; Q348-K350 VanDerWaalsContact OE1-CE 3.3Å
349	G	85.4	Confident	92.7	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	16%	0.162	C	C	.	.			trans	61.8	15.3	-175.4	0	0	0	0	0	113.9	T327 I328 E344 Y345 L351	T327-G349 CarbonylContact C-O 3.36Å; T327-G349 WeakPolarHBondContact CA-O 3.43Å; I328-G349 PolarHBondContact N-O 2.77Å; E344-G349 PolarHBondContact O-N 3.01Å; Y345-G349 VanDerWaalsContact O-CA 3.25Å; Y345-G349 WeakPolarHBondContact O-CA 3.32Å; Y345-G349 PolarHBondContact O-N 2.78Å; G349-L351 PolarHBondContact O-N 3.48Å
350	K	87.6	Confident	93	Very high	70 Å²	70	31.4 Å²	31.4	30%	0.304	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	108.9	-169.2	-75.7	177.3	179.2	167.6	0	111.8	C326 E344 Q348	C326-K350 CarbonylContact O-C 3.48Å; C326-K350 WeakPolarHBondContact O-CA 3.46Å; E344-K350 HydrophobicContact CB-CB 4.25Å; E344-K350 HydrophobicContact CG-CB 4.03Å; E344-K350 WeakPolarHBondContact O-CB 3.24Å; E344-K350 PolarHBondContact O-N 3.09Å; Q348-K350 HydrophobicContact CB-CD 4.01Å; Q348-K350 HydrophobicContact CB-CG 3.99Å; Q348-K350 PolarHBondContact O-N 2.73Å; Q348-K350 VanDerWaalsContact O-N 3.16Å; Q348-K350 VanDerWaalsContact OE1-CE 3.3Å
351	L	88.1	Confident	93.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.4	174.6	-173.9	61.1	0	0	0	110.9	I290 H316 R318 S325 C326 I328 Y345 G349 T355	I290-L351 HydrophobicContact CD1-CG 4.23Å; I290-L351 HydrophobicContact CG2-CD1 3.63Å; I290-L351 HydrophobicContact CG2-CD2 4.35Å; I290-L351 HydrophobicContact CG2-CG 3.91Å; H316-L351 HydrophobicContact CB-CD2 3.77Å; H316-L351 WeakPolarHBondContact CD2-CD2 3.38Å; R318-L351 PolarHBondContact NH1-O 2.93Å; S325-L351 WeakPolarHBondContact CA-O 3.39Å; C326-L351 PolarHBondContact N-O 2.87Å; C326-L351 VanDerWaalsContact N-O 3.07Å; C326-L351 PolarHBondContact O-N 3.34Å; C326-L351 PolarHBondContact SG-O 3.3Å; I328-L351 HydrophobicContact CD1-CD2 4.22Å; Y345-L351 HydrophobicContact CD2-CB 4.34Å; Y345-L351 HydrophobicContact CD2-CD1 4.16Å; Y345-L351 HydrophobicContact CE2-CB 4.41Å; Y345-L351 HydrophobicContact CE2-CD1 4.07Å; G349-L351 PolarHBondContact O-N 3.48Å; L351-T355 HydrophobicContact CD1-CG2 3.78Å
352	S	91.7	Very high	93.3	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.063	14%	0.138	C	C	.	.			trans	-155.5	166.5	-175.7	66.4	0	0	0	0	110.9	I290 Q324 K354 T355	I290-S352 WeakPolarHBondContact CG2-O 3.25Å; Q324-S352 WeakPolarHBondContact O-CB 3.15Å; S352-K354 PolarHBondContact O-N 3.44Å; S352-K354 VanDerWaalsContact O-N 3.13Å; S352-K354 PolarHBondContact OG-N 3.32Å; S352-T355 PolarHBondContact N-OG1 2.93Å; S352-T355 VanDerWaalsContact N-OG1 3.1Å; S352-T355 WeakPolarHBondContact O-CB 3.22Å; S352-T355 PolarHBondContact O-N 2.87Å; S352-T355 PolarHBondContact O-OG1 3.36Å; S352-T355 PolarHBondContact OG-N 3.21Å; S352-T355 PolarHBondContact OG-OG1 3.26Å
353	I	94.2	Very high	93.5	Very high	38 Å²	38	30.7 Å²	30.7	20%	0.195	14%	0.138	C	C	.	.	H	α-helix	trans	-56.4	-26.3	167.9	57.5	172.8	0	0	0	112.7	H282 I290 T355 D356 V357	H282-I353 HydrophobicContact CB-CG2 4.31Å; H282-I353 PolarHBondContact CE1-O 3.49Å; H282-I353 VanDerWaalsContact CE1-O 3.29Å; I290-I353 HydrophobicContact CG1-CG2 4.05Å; I353-T355 VanDerWaalsContact C-N 3.26Å; I353-T355 PolarHBondContact O-N 2.75Å; I353-D356 PolarHBondContact O-N 3Å; I353-V357 WeakPolarHBondContact O-CG2 3.41Å; I353-V357 PolarHBondContact O-N 3.36Å
354	K	96.4	Very high	93.8	Very high	41 Å²	41	26.5 Å²	26.5	18%	0.178	12%	0.118	C	C	.	.	H	α-helix	trans	-76.1	-10.8	176.2	-58.2	-66.8	-178.7	167.8	0	113.1	S352 V357 Y358 A430 R433 P434	S352-K354 PolarHBondContact O-N 3.44Å; S352-K354 VanDerWaalsContact O-N 3.13Å; S352-K354 PolarHBondContact OG-N 3.32Å; K354-V357 HydrophobicContact CD-CG2 4.48Å; K354-Y358 PolarHBondContact O-N 2.93Å; K354-A430 HydrophobicContact CB-CB 4.15Å; K354-R433 HydrophobicContact CD-CB 4.25Å; K354-R433 PolarHBondContact NZ-O 3.15Å; K354-R433 WeakPolarHBondContact O-CD 3.21Å; K354-R433 PolarHBondContact O-NH1 2.83Å; K354-P434 PolarHBondContact NZ-O 2.72Å
355	T	95.9	Very high	94.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-73.1	-45	170.5	-52.3	0	0	0	0	110.1	M341 P342 Y345 L351 S352 I353 Y358 S359	M341-T355 HydrophobicContact CE-CG2 3.84Å; M341-T355 HydrophobicContact SD-CG2 4.04Å; P342-T355 HydrophobicContact CG-CG2 3.99Å; Y345-T355 HydrophobicContact CD2-CG2 4.29Å; L351-T355 HydrophobicContact CD1-CG2 3.78Å; S352-T355 PolarHBondContact N-OG1 2.93Å; S352-T355 VanDerWaalsContact N-OG1 3.1Å; S352-T355 WeakPolarHBondContact O-CB 3.22Å; S352-T355 PolarHBondContact O-N 2.87Å; S352-T355 PolarHBondContact O-OG1 3.36Å; S352-T355 PolarHBondContact OG-N 3.21Å; S352-T355 PolarHBondContact OG-OG1 3.26Å; I353-T355 VanDerWaalsContact C-N 3.26Å; I353-T355 PolarHBondContact O-N 2.75Å; T355-Y358 PolarHBondContact O-N 3.37Å; T355-S359 PolarHBondContact O-N 3.36Å; T355-S359 VanDerWaalsContact O-N 3.09Å; T355-S359 PolarHBondContact O-OG 3.16Å
356	D	97.6	Very high	94.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.1	-43.2	175.1	-72.1	-11.8	0	0	0	111.7	I278 H282 I290 C291 G292 I294 I353 Y358 S359 F360	I278-D356 HydrophobicContact CG2-CB 4.12Å; H282-D356 IonicContact CD2-OD2 3.86Å; H282-D356 IonicContact CE1-OD2 3.17Å; H282-D356 IonicContact NE2-OD2 2.63Å; H282-D356 PolarHBondContact NE2-OD2 3.48Å; I290-D356 WeakPolarHBondContact CA-OD2 3.35Å; C291-D356 PolarHBondContact N-OD1 3.17Å; C291-D356 PolarHBondContact N-OD2 3.47Å; G292-D356 PolarHBondContact N-OD1 2.86Å; I294-D356 HydrophobicContact CD1-CB 3.42Å; I294-D356 VanDerWaalsContact CD1-CB 3.42Å; I294-D356 VanDerWaalsContact CD1-CG 3.47Å; I353-D356 PolarHBondContact O-N 3Å; D356-Y358 VanDerWaalsContact C-N 3.3Å; D356-Y358 PolarHBondContact O-N 3.5Å; D356-S359 PolarHBondContact O-N 3.42Å; D356-F360 WeakPolarHBondContact O-CB 3.11Å; D356-F360 PolarHBondContact O-N 3.28Å
357	V	98.6	Very high	95	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-56.5	-42.9	175.1	176.7	0	0	0	0	111.7	I353 K354 G361 C425 R433 P434 M436	I353-V357 WeakPolarHBondContact O-CG2 3.41Å; I353-V357 PolarHBondContact O-N 3.36Å; K354-V357 HydrophobicContact CD-CG2 4.48Å; V357-G361 PolarHBondContact O-N 3.37Å; V357-C425 HydrophobicContact CG1-CB 4.06Å; V357-C425 WeakPolarHBondContact O-CB 3.36Å; V357-R433 HydrophobicContact CG1-CB 4.01Å; V357-P434 HydrophobicContact CG1-CG 4.31Å; V357-M436 HydrophobicContact CB-SD 4.38Å; V357-M436 HydrophobicContact CG2-CG 3.82Å; V357-M436 HydrophobicContact CG2-SD 3.7Å
358	Y	98.6	Very high	95.6	Very high	13 Å²	13	13.7 Å²	13.7	5%	0.051	7%	0.065	C	C	.	.	H	α-helix	trans	-64.9	-46.2	178.2	177.1	-84.6	0	0	0	112	Y340 M341 P342 K354 T355 D356 F360 G361 I362 R384 C425 A426	Y340-Y358 VanDerWaalsContact O-CD1 3.22Å; Y340-Y358 WeakPolarHBondContact O-CD1 3.46Å; Y340-Y358 WeakPolarHBondContact O-CE1 3.46Å; M341-Y358 WeakPolarHBondContact O-CE1 3.39Å; P342-Y358 HydrophobicContact CB-CD1 3.81Å; P342-Y358 HydrophobicContact CB-CD2 3.84Å; P342-Y358 HydrophobicContact CB-CE1 3.97Å; P342-Y358 HydrophobicContact CB-CE2 3.97Å; P342-Y358 HydrophobicContact CB-CG 3.74Å; P342-Y358 HydrophobicContact CG-CD1 4.28Å; P342-Y358 HydrophobicContact CG-CG 4.34Å; K354-Y358 PolarHBondContact O-N 2.93Å; T355-Y358 PolarHBondContact O-N 3.37Å; D356-Y358 VanDerWaalsContact C-N 3.3Å; D356-Y358 PolarHBondContact O-N 3.5Å; Y358-F360 VanDerWaalsContact C-N 3.33Å; Y358-F360 PolarHBondContact O-N 2.82Å; Y358-G361 PolarHBondContact O-N 3.39Å; Y358-G361 VanDerWaalsContact O-N 3.13Å; Y358-I362 HydrophobicContact CD1-CD1 4.03Å; Y358-I362 HydrophobicContact CE1-CD1 3.51Å; Y358-I362 PolarHBondContact O-N 3.34Å; Y358-R384 VanDerWaalsContact OH-CD 3.29Å; Y358-R384 WeakPolarHBondContact OH-CD 3.24Å; Y358-R384 PolarHBondContact OH-NE 3.07Å; Y358-C425 VanDerWaalsContact CA-O 3.31Å; Y358-C425 WeakPolarHBondContact CA-O 3.47Å; Y358-A426 HydrophobicContact CD2-CB 4.47Å; Y358-A426 WeakPolarHBondContact CD2-O 3.24Å; Y358-A426 WeakPolarHBondContact CE2-O 3.49Å
359	S	98.5	Very high	96.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.2	-43.8	178.3	-46.6	0	0	0	0	111.1	I294 Y340 M341 T355 D356 I362 V363	I294-S359 WeakPolarHBondContact O-CB 3.32Å; Y340-S359 PolarHBondContact O-OG 2.59Å; M341-S359 VanDerWaalsContact CE-OG 3.23Å; M341-S359 WeakPolarHBondContact CE-OG 3.28Å; T355-S359 PolarHBondContact O-N 3.36Å; T355-S359 VanDerWaalsContact O-N 3.09Å; T355-S359 PolarHBondContact O-OG 3.16Å; D356-S359 PolarHBondContact O-N 3.42Å; S359-I362 PolarHBondContact O-N 2.97Å; S359-V363 PolarHBondContact O-N 3.07Å
360	F	98.8	Very high	96.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.1	-35.7	174.7	-175.7	-107.6	0	0	0	112.8	L271 I274 I278 I294 D356 Y358 I362 V363 I364 M436 V439 L443	L271-F360 HydrophobicContact CB-CZ 4.24Å; L271-F360 HydrophobicContact CD2-CE2 4.01Å; L271-F360 HydrophobicContact CD2-CZ 3.95Å; L271-F360 WeakPolarHBondContact O-CZ 3.32Å; I274-F360 HydrophobicContact CB-CE2 4.08Å; I274-F360 HydrophobicContact CG2-CD2 3.85Å; I274-F360 HydrophobicContact CG2-CE2 3.66Å; I278-F360 HydrophobicContact CD1-CB 4.21Å; I278-F360 HydrophobicContact CD1-CD2 3.83Å; I278-F360 HydrophobicContact CD1-CE2 4.5Å; I278-F360 HydrophobicContact CD1-CG 4.1Å; I294-F360 HydrophobicContact CG2-CB 4.27Å; D356-F360 WeakPolarHBondContact O-CB 3.11Å; D356-F360 PolarHBondContact O-N 3.28Å; Y358-F360 VanDerWaalsContact C-N 3.33Å; Y358-F360 PolarHBondContact O-N 2.82Å; F360-I362 VanDerWaalsContact C-N 3.26Å; F360-I362 PolarHBondContact O-N 2.64Å; F360-V363 WeakPolarHBondContact O-CB 3.44Å; F360-V363 PolarHBondContact O-N 2.98Å; F360-V363 VanDerWaalsContact O-N 3.07Å; F360-I364 HydrophobicContact CD1-CD1 4.04Å; F360-I364 HydrophobicContact CD1-CG1 4.35Å; F360-I364 HydrophobicContact CE1-CD1 3.78Å; F360-I364 HydrophobicContact CE1-CG1 4.03Å; F360-I364 HydrophobicContact CZ-CG1 4.34Å; F360-I364 WeakPolarHBondContact O-CG1 3.28Å; F360-I364 PolarHBondContact O-N 3.37Å; F360-M436 HydrophobicContact CD1-CE 4.13Å; F360-M436 HydrophobicContact CE1-CE 4.33Å; F360-V439 HydrophobicContact CD1-CG1 3.95Å; F360-V439 HydrophobicContact CE1-CG1 3.56Å; F360-L443 HydrophobicContact CE1-CD1 3.93Å; F360-L443 HydrophobicContact CZ-CD1 3.94Å
361	G	98.8	Very high	97.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-56.4	-39.3	172.3	0	0	0	0	0	113.3	V357 Y358 I364 M365 C425	V357-G361 PolarHBondContact O-N 3.37Å; Y358-G361 PolarHBondContact O-N 3.39Å; Y358-G361 VanDerWaalsContact O-N 3.13Å; G361-I364 PolarHBondContact O-N 3.45Å; G361-M365 WeakPolarHBondContact O-CG 3.23Å; G361-M365 PolarHBondContact O-N 2.69Å; G361-C425 VanDerWaalsContact CA-CB 3.42Å
362	I	98.7	Very high	97.5	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-68.2	-39.5	174.3	-67	170.3	0	0	0	111.1	W339 Y340 Y358 S359 F360 I364 M365 E366 V373 R384 A426	W339-I362 WeakPolarHBondContact O-CD1 3.16Å; Y340-I362 HydrophobicContact CD1-CB 4.17Å; Y340-I362 HydrophobicContact CD1-CG2 3.78Å; Y340-I362 HydrophobicContact CE1-CG2 3.8Å; Y358-I362 HydrophobicContact CD1-CD1 4.03Å; Y358-I362 HydrophobicContact CE1-CD1 3.51Å; Y358-I362 PolarHBondContact O-N 3.34Å; S359-I362 PolarHBondContact O-N 2.97Å; F360-I362 VanDerWaalsContact C-N 3.26Å; F360-I362 PolarHBondContact O-N 2.64Å; I362-I364 VanDerWaalsContact C-N 3.31Å; I362-I364 PolarHBondContact O-N 2.76Å; I362-M365 WeakPolarHBondContact O-CA 3.46Å; I362-M365 WeakPolarHBondContact O-CB 3.38Å; I362-M365 PolarHBondContact O-N 2.69Å; I362-E366 PolarHBondContact O-N 3.24Å; I362-V373 HydrophobicContact CG2-CB 4.34Å; I362-V373 HydrophobicContact CG2-CG2 3.63Å; I362-R384 HydrophobicContact CG1-CB 4.47Å; I362-A426 HydrophobicContact CG1-CB 4.49Å
363	V	98.8	Very high	97.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.6	-37	173.8	176.6	0	0	0	0	111.7	L249 L271 I299 Y340 S359 F360 M365 E366 V367	L249-V363 HydrophobicContact CD2-CG1 3.97Å; L271-V363 HydrophobicContact CD2-CG1 4.33Å; I299-V363 HydrophobicContact CD1-CG1 3.86Å; I299-V363 HydrophobicContact CD1-CG2 4.45Å; Y340-V363 HydrophobicContact CD1-CG2 4.47Å; Y340-V363 HydrophobicContact CE1-CG2 4.09Å; S359-V363 PolarHBondContact O-N 3.07Å; F360-V363 WeakPolarHBondContact O-CB 3.44Å; F360-V363 PolarHBondContact O-N 2.98Å; F360-V363 VanDerWaalsContact O-N 3.07Å; V363-M365 VanDerWaalsContact C-N 3.29Å; V363-M365 PolarHBondContact O-N 3.22Å; V363-E366 PolarHBondContact O-N 3.28Å; V363-V367 HydrophobicContact CG1-CG2 4.28Å; V363-V367 WeakPolarHBondContact O-CB 3.5Å; V363-V367 VanDerWaalsContact O-CG2 3.24Å; V363-V367 WeakPolarHBondContact O-CG2 3.19Å; V363-V367 PolarHBondContact O-N 3.45Å
364	I	98.9	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61	-39.5	172.5	-57.8	166.9	0	0	0	110.7	L271 F360 G361 I362 V367 L368 L418 L421 A422	L271-I364 HydrophobicContact CD1-CG1 4.2Å; L271-I364 HydrophobicContact CD1-CG2 4.19Å; L271-I364 HydrophobicContact CD2-CG1 3.9Å; F360-I364 HydrophobicContact CD1-CD1 4.04Å; F360-I364 HydrophobicContact CD1-CG1 4.35Å; F360-I364 HydrophobicContact CE1-CD1 3.78Å; F360-I364 HydrophobicContact CE1-CG1 4.03Å; F360-I364 HydrophobicContact CZ-CG1 4.34Å; F360-I364 WeakPolarHBondContact O-CG1 3.28Å; F360-I364 PolarHBondContact O-N 3.37Å; G361-I364 PolarHBondContact O-N 3.45Å; I362-I364 VanDerWaalsContact C-N 3.31Å; I362-I364 PolarHBondContact O-N 2.76Å; I364-V367 PolarHBondContact O-N 3.24Å; I364-L368 HydrophobicContact CG2-CD1 3.94Å; I364-L368 HydrophobicContact CG2-CG 4.35Å; I364-L368 WeakPolarHBondContact O-CB 3.08Å; I364-L368 WeakPolarHBondContact O-CG 3.14Å; I364-L368 PolarHBondContact O-N 3.36Å; I364-L418 HydrophobicContact CG2-CB 4.38Å; I364-L421 HydrophobicContact CD1-CD2 4.21Å; I364-L421 HydrophobicContact CD1-CG 4.22Å; I364-A422 HydrophobicContact CB-CB 3.91Å; I364-A422 HydrophobicContact CG2-CB 3.79Å
365	M	98.8	Very high	97.3	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-65.7	-43.4	177.1	-62.9	177.5	179.5	0	0	112.5	G361 I362 V363 V367 L368 T369 L383 R384 L387 I388 A422 A426	G361-M365 WeakPolarHBondContact O-CG 3.23Å; G361-M365 PolarHBondContact O-N 2.69Å; I362-M365 WeakPolarHBondContact O-CA 3.46Å; I362-M365 WeakPolarHBondContact O-CB 3.38Å; I362-M365 PolarHBondContact O-N 2.69Å; V363-M365 VanDerWaalsContact C-N 3.29Å; V363-M365 PolarHBondContact O-N 3.22Å; M365-V367 VanDerWaalsContact C-N 3.34Å; M365-L368 PolarHBondContact O-N 3.15Å; M365-T369 WeakPolarHBondContact O-CB 3.46Å; M365-T369 WeakPolarHBondContact O-CG2 3.41Å; M365-T369 PolarHBondContact O-N 2.79Å; M365-T369 PolarHBondContact O-OG1 3.14Å; M365-L383 HydrophobicContact CB-CD2 3.99Å; M365-L383 HydrophobicContact CB-CG 4.27Å; M365-R384 HydrophobicContact SD-CB 4.19Å; M365-R384 HydrophobicContact SD-CG 4.37Å; M365-L387 HydrophobicContact CB-CD1 3.7Å; M365-L387 HydrophobicContact CG-CD1 3.72Å; M365-L387 HydrophobicContact SD-CB 4.43Å; M365-L387 HydrophobicContact SD-CD1 3.89Å; M365-I388 HydrophobicContact CE-CD1 4.41Å; M365-A422 HydrophobicContact CE-CB 4.03Å; M365-A422 HydrophobicContact CG-CB 3.86Å; M365-A426 HydrophobicContact CE-CB 3.79Å
366	E	98.7	Very high	96.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-62.4	-41.6	174.1	-67.2	-170.6	122	0	0	111.1	L253 S296 Y340 I362 V363 T369 G370 V373 L383	L253-E366 HydrophobicContact CD1-CB 4.22Å; S296-E366 WeakPolarHBondContact CB-OE2 3.46Å; S296-E366 PolarHBondContact OG-OE2 3.13Å; Y340-E366 PolarHBondContact OH-OE1 2.88Å; Y340-E366 PolarHBondContact OH-OE2 2.88Å; I362-E366 PolarHBondContact O-N 3.24Å; V363-E366 PolarHBondContact O-N 3.28Å; E366-T369 PolarHBondContact O-N 3.29Å; E366-G370 WeakPolarHBondContact O-CA 3.35Å; E366-G370 PolarHBondContact O-N 2.79Å; E366-V373 WeakPolarHBondContact OE1-CB 3.18Å; E366-V373 PolarHBondContact OE1-N 2.94Å; E366-L383 HydrophobicContact CG-CD2 3.92Å
367	V	98.8	Very high	95.9	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-65.9	-37.3	177.9	169.8	0	0	0	0	112.4	L249 L253 R267 L271 V363 I364 M365	L249-V367 HydrophobicContact CD1-CG2 4.4Å; L249-V367 HydrophobicContact CD2-CG2 3.94Å; L253-V367 HydrophobicContact CD1-CG2 3.91Å; R267-V367 HydrophobicContact CB-CG1 3.66Å; R267-V367 WeakPolarHBondContact CD-O 3.46Å; R267-V367 HydrophobicContact CG-CG1 4.02Å; R267-V367 PolarHBondContact NH1-O 3.09Å; L271-V367 HydrophobicContact CD1-CB 4.4Å; L271-V367 HydrophobicContact CD1-CG1 3.93Å; L271-V367 HydrophobicContact CD2-CB 4.41Å; L271-V367 HydrophobicContact CD2-CG2 4.08Å; L271-V367 HydrophobicContact CG-CG1 4.21Å; V363-V367 HydrophobicContact CG1-CG2 4.28Å; V363-V367 WeakPolarHBondContact O-CB 3.5Å; V363-V367 VanDerWaalsContact O-CG2 3.24Å; V363-V367 WeakPolarHBondContact O-CG2 3.19Å; V363-V367 PolarHBondContact O-N 3.45Å; I364-V367 PolarHBondContact O-N 3.24Å; M365-V367 VanDerWaalsContact C-N 3.34Å
368	L	98.4	Very high	94.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-71.9	-38.6	177	-78.1	168.9	0	0	0	113.6	W264 I364 M365 L403 D404 L418 F419	W264-L368 WeakPolarHBondContact CH2-O 3.38Å; W264-L368 HydrophobicContact CZ3-CD2 4.24Å; I364-L368 HydrophobicContact CG2-CD1 3.94Å; I364-L368 HydrophobicContact CG2-CG 4.35Å; I364-L368 WeakPolarHBondContact O-CB 3.08Å; I364-L368 WeakPolarHBondContact O-CG 3.14Å; I364-L368 PolarHBondContact O-N 3.36Å; M365-L368 PolarHBondContact O-N 3.15Å; L368-L403 HydrophobicContact CD2-CD2 4.08Å; L368-D404 PolarHBondContact O-N 2.99Å; L368-L418 HydrophobicContact CD1-CB 3.83Å; L368-L418 HydrophobicContact CD2-CB 3.85Å; L368-L418 HydrophobicContact CD2-CD1 3.93Å; L368-L418 HydrophobicContact CG-CB 4.24Å; L368-F419 HydrophobicContact CB-CE1 4.06Å; L368-F419 HydrophobicContact CB-CZ 4.01Å; L368-F419 HydrophobicContact CD1-CB 4.46Å; L368-F419 HydrophobicContact CD1-CD1 3.58Å; L368-F419 HydrophobicContact CD1-CD2 4.15Å; L368-F419 HydrophobicContact CD1-CE1 3.74Å; L368-F419 HydrophobicContact CD1-CE2 4.3Å; L368-F419 HydrophobicContact CD1-CG 3.79Å; L368-F419 HydrophobicContact CD1-CZ 4.1Å
369	T	97.8	Very high	94	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.037	17%	0.174	C	C	.	.	H	α-helix	trans	-99.2	-23.6	-170.7	60.5	0	0	0	0	113.9	M365 E366 C371 L383 L387 F402 D404 F419	M365-T369 WeakPolarHBondContact O-CB 3.46Å; M365-T369 WeakPolarHBondContact O-CG2 3.41Å; M365-T369 PolarHBondContact O-N 2.79Å; M365-T369 PolarHBondContact O-OG1 3.14Å; E366-T369 PolarHBondContact O-N 3.29Å; T369-C371 PolarHBondContact O-N 3.26Å; T369-C371 WeakPolarHBondContact OG1-CB 3.27Å; T369-C371 PolarHBondContact OG1-N 3.29Å; T369-L383 HydrophobicContact CG2-CD1 4.24Å; T369-L387 HydrophobicContact CG2-CD1 4.16Å; T369-F402 VanDerWaalsContact CA-O 3.27Å; T369-F402 WeakPolarHBondContact CA-O 3.05Å; T369-F402 WeakPolarHBondContact CB-O 3.27Å; T369-F402 HydrophobicContact CG2-CB 4.05Å; T369-F402 WeakPolarHBondContact CG2-O 3.45Å; T369-D404 WeakPolarHBondContact O-CA 3.27Å; T369-D404 WeakPolarHBondContact O-CB 3.26Å; T369-F419 HydrophobicContact CG2-CE1 4.31Å; T369-F419 HydrophobicContact CG2-CZ 4.43Å
370	G	97.1	Very high	93.2	Very high	4 Å²	4	39.3 Å²	39.3	4%	0.041	20%	0.203	C	C	.	.			trans	67.6	9.1	-169.1	0	0	0	0	0	113.5	Q254 E366 K406	Q254-G370 PolarHBondContact NE2-O 2.77Å; E366-G370 WeakPolarHBondContact O-CA 3.35Å; E366-G370 PolarHBondContact O-N 2.79Å; G370-K406 PolarHBondContact O-NZ 3.45Å
371	C	96.6	Very high	92.8	Very high	40 Å²	40	42.3 Å²	42.3	27%	0.27	22%	0.218	S	C	.	.			trans	-85.1	163	174.9	-64.7	0	0	0	0	111.4	T369 L375 L383	T369-C371 PolarHBondContact O-N 3.26Å; T369-C371 WeakPolarHBondContact OG1-CB 3.27Å; T369-C371 PolarHBondContact OG1-N 3.29Å; C371-L375 HydrophobicContact CB-CD2 3.91Å; C371-L383 HydrophobicContact CB-CD1 4Å; C371-L383 HydrophobicContact CB-CD2 4.18Å
372	R	95.9	Very high	92.6	Very high	87 Å²	87	44.6 Å²	44.6	33%	0.328	23%	0.229	S	C	.	.			trans	-78.9	153.5	169.6	-55.3	177.8	-161.6	-72.7	-2.1	110.4	F250 V374 D376	F250-R372 HydrophobicContact CE2-CG 4.3Å; R372-V374 VanDerWaalsContact CB-O 3.28Å; R372-V374 WeakPolarHBondContact CB-O 2.85Å; R372-V374 PolarHBondContact O-N 3.33Å; R372-D376 IonicContact CZ-OD2 3.28Å; R372-D376 IonicContact NE-OD1 3.6Å; R372-D376 PolarHBondContact NE-OD1 2.92Å; R372-D376 IonicContact NE-OD2 2.71Å; R372-D376 PolarHBondContact NE-OD2 2.82Å; R372-D376 IonicContact NH2-OD2 3.35Å
373	V	95.3	Very high	92.5	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.097	23%	0.229	C	C	.	.	S	Bend	trans	-51.6	-34.3	173.4	62.8	0	0	0	0	114.8	W339 Y340 I362 E366 Q382 L383	W339-V373 HydrophobicContact CB-CG1 4.1Å; W339-V373 HydrophobicContact CB-CG2 3.77Å; Y340-V373 HydrophobicContact CE2-CB 4.35Å; Y340-V373 HydrophobicContact CE2-CG1 3.94Å; Y340-V373 HydrophobicContact CE2-CG2 4.4Å; I362-V373 HydrophobicContact CG2-CB 4.34Å; I362-V373 HydrophobicContact CG2-CG2 3.63Å; E366-V373 WeakPolarHBondContact OE1-CB 3.18Å; E366-V373 PolarHBondContact OE1-N 2.94Å; V373-Q382 WeakPolarHBondContact O-CA 3.39Å; V373-L383 WeakPolarHBondContact O-CB 3.49Å; V373-L383 PolarHBondContact O-N 2.73Å
374	V	93.8	Very high	92.4	Very high	26 Å²	26	45.6 Å²	45.6	16%	0.158	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-113.9	128.8	167.2	177.7	0	0	0	0	107.5	W339 R372 H380	W339-V374 HydrophobicContact CB-CG2 4.42Å; W339-V374 HydrophobicContact CD2-CG2 3.68Å; W339-V374 HydrophobicContact CE3-CG2 4.05Å; W339-V374 HydrophobicContact CG-CG2 3.84Å; R372-V374 VanDerWaalsContact CB-O 3.28Å; R372-V374 WeakPolarHBondContact CB-O 2.85Å; R372-V374 PolarHBondContact O-N 3.33Å; V374-H380 HydrophobicContact CG1-CB 3.98Å
375	L	89.4	Confident	92.2	Very high	31 Å²	31	48.5 Å²	48.5	16%	0.162	25%	0.248	C	C	.	.			trans	-75.5	144.7	-176	-61.7	174.1	0	0	0	111.5	C371 D377 I381 L383 L386	C371-L375 HydrophobicContact CB-CD2 3.91Å; L375-D377 PolarHBondContact O-N 3.26Å; L375-I381 WeakPolarHBondContact CB-O 3.21Å; L375-I381 HydrophobicContact CD1-CB 4.45Å; L375-I381 WeakPolarHBondContact CG-O 3.45Å; L375-I381 PolarHBondContact N-O 3.3Å; L375-L383 HydrophobicContact CD2-CD1 4.23Å; L375-L386 HydrophobicContact CD1-CD2 3.54Å
376	D	83	Confident	92.1	Very high	137 Å²	137	50.3 Å²	50.3	73%	0.733	26%	0.258	S	S	*	.	S	Bend	trans	-75.1	50.2	175.4	-63.2	-40.9	0	0	0	111	R372	R372-D376 IonicContact CZ-OD2 3.28Å; R372-D376 IonicContact NE-OD1 3.6Å; R372-D376 PolarHBondContact NE-OD1 2.92Å; R372-D376 IonicContact NE-OD2 2.71Å; R372-D376 PolarHBondContact NE-OD2 2.82Å; R372-D376 IonicContact NH2-OD2 3.35Å
377	D	82	Confident	92	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.214	26%	0.258	C	S	.	.	S	Bend	trans	-114.6	153.8	179.9	103.4	82.5	0	0	0	111.2	L375 K379 H380 I381	L375-D377 PolarHBondContact O-N 3.26Å; D377-K379 PolarHBondContact O-N 3.16Å; D377-K379 WeakPolarHBondContact OD1-CA 3.3Å; D377-K379 VanDerWaalsContact OD1-CB 3.31Å; D377-K379 WeakPolarHBondContact OD1-CB 3.44Å; D377-K379 PolarHBondContact OD1-N 2.88Å; D377-H380 PolarHBondContact O-N 3.1Å; D377-H380 PolarHBondContact O-ND1 2.98Å; D377-H380 PolarHBondContact OD2-N 2.87Å; D377-I381 WeakPolarHBondContact OD2-CB 3.43Å; D377-I381 WeakPolarHBondContact OD2-CG1 3.48Å; D377-I381 PolarHBondContact OD2-N 2.82Å
378	P	75.4	Confident	91.8	Very high	128 Å²	128	51.4 Å²	51.4	83%	0.831	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.9	-176.2	-26.4	35.5	0	0	0	115.2	H380	P378-H380 PolarHBondContact O-ND1 3.41Å
379	K	80.7	Confident	91.6	Very high	172 Å²	172	56 Å²	56	75%	0.748	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-6.2	178.3	-57.8	174.6	-176.9	176.7	0	113.3	D377 I381	D377-K379 PolarHBondContact O-N 3.16Å; D377-K379 WeakPolarHBondContact OD1-CA 3.3Å; D377-K379 VanDerWaalsContact OD1-CB 3.31Å; D377-K379 WeakPolarHBondContact OD1-CB 3.44Å; D377-K379 PolarHBondContact OD1-N 2.88Å; K379-I381 HydrophobicContact CB-CD1 4.23Å; K379-I381 HydrophobicContact CB-CG1 3.92Å; K379-I381 HydrophobicContact CD-CD1 4.24Å; K379-I381 PolarHBondContact O-N 2.94Å
380	H	82.3	Confident	91.5	Very high	131 Å²	131	56.4 Å²	56.4	61%	0.606	29%	0.287	S	S	*	.			trans	52.7	49.5	179.3	-60.9	68.3	0	0	0	112.5	V374 D377 P378	V374-H380 HydrophobicContact CG1-CB 3.98Å; D377-H380 PolarHBondContact O-N 3.1Å; D377-H380 PolarHBondContact O-ND1 2.98Å; D377-H380 PolarHBondContact OD2-N 2.87Å; P378-H380 PolarHBondContact O-ND1 3.41Å
381	I	90.4	Very high	91.4	Very high	62 Å²	62	58.3 Å²	58.3	32%	0.318	30%	0.295	S	S	.	.			trans	-69.2	135.2	-176	-63.1	170.4	0	0	0	109.9	L375 D377 K379 L386	L375-I381 WeakPolarHBondContact CB-O 3.21Å; L375-I381 HydrophobicContact CD1-CB 4.45Å; L375-I381 WeakPolarHBondContact CG-O 3.45Å; L375-I381 PolarHBondContact N-O 3.3Å; D377-I381 WeakPolarHBondContact OD2-CB 3.43Å; D377-I381 WeakPolarHBondContact OD2-CG1 3.48Å; D377-I381 PolarHBondContact OD2-N 2.82Å; K379-I381 HydrophobicContact CB-CD1 4.23Å; K379-I381 HydrophobicContact CB-CG1 3.92Å; K379-I381 HydrophobicContact CD-CD1 4.24Å; K379-I381 PolarHBondContact O-N 2.94Å; I381-L386 HydrophobicContact CG2-CB 4.1Å
382	Q	93.9	Very high	91.2	Very high	48 Å²	48	63.8 Å²	63.8	22%	0.224	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-68.5	132.5	172.2	-60.9	-174.7	104.8	0	0	110.1	W339 V373 R384 D385 L386	W339-Q382 HydrophobicContact CE3-CG 4.35Å; V373-Q382 WeakPolarHBondContact O-CA 3.39Å; Q382-R384 PolarHBondContact O-N 2.75Å; Q382-R384 VanDerWaalsContact O-N 3.16Å; Q382-D385 HydrophobicContact CB-CB 4.43Å; Q382-D385 PolarHBondContact NE2-OD2 2.87Å; Q382-D385 PolarHBondContact O-N 2.85Å; Q382-L386 PolarHBondContact O-N 3.47Å
383	L	96.2	Very high	91.2	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-52.3	-39.2	177.6	175.3	63.5	0	0	0	111.9	M365 E366 T369 C371 V373 L375 L387	M365-L383 HydrophobicContact CB-CD2 3.99Å; M365-L383 HydrophobicContact CB-CG 4.27Å; E366-L383 HydrophobicContact CG-CD2 3.92Å; T369-L383 HydrophobicContact CG2-CD1 4.24Å; C371-L383 HydrophobicContact CB-CD1 4Å; C371-L383 HydrophobicContact CB-CD2 4.18Å; V373-L383 WeakPolarHBondContact O-CB 3.49Å; V373-L383 PolarHBondContact O-N 2.73Å; L375-L383 HydrophobicContact CD2-CD1 4.23Å; L383-L387 HydrophobicContact CD1-CD1 3.85Å; L383-L387 HydrophobicContact CD1-CG 4.22Å; L383-L387 HydrophobicContact CG-CD1 4.01Å; L383-L387 WeakPolarHBondContact O-CB 3.48Å; L383-L387 WeakPolarHBondContact O-CG 3.29Å; L383-L387 PolarHBondContact O-N 2.9Å; L383-L387 VanDerWaalsContact O-N 3.09Å
384	R	96.6	Very high	91.1	Very high	22 Å²	22	75 Å²	75	8%	0.083	36%	0.361	C	S	.	.	H	α-helix	trans	-54.5	-55.1	173.7	-179.8	-164.5	173	-91.3	0.2	112	Y358 I362 M365 Q382 L386 L387 I388 A426 T428	Y358-R384 VanDerWaalsContact OH-CD 3.29Å; Y358-R384 WeakPolarHBondContact OH-CD 3.24Å; Y358-R384 PolarHBondContact OH-NE 3.07Å; I362-R384 HydrophobicContact CG1-CB 4.47Å; M365-R384 HydrophobicContact SD-CB 4.19Å; M365-R384 HydrophobicContact SD-CG 4.37Å; Q382-R384 PolarHBondContact O-N 2.75Å; Q382-R384 VanDerWaalsContact O-N 3.16Å; R384-L386 VanDerWaalsContact C-N 3.32Å; R384-L386 PolarHBondContact O-N 3.22Å; R384-L387 PolarHBondContact O-N 3.13Å; R384-I388 HydrophobicContact CG-CG1 4.19Å; R384-I388 WeakPolarHBondContact O-CB 3.37Å; R384-I388 VanDerWaalsContact O-CG1 3.3Å; R384-I388 WeakPolarHBondContact O-CG1 3.27Å; R384-I388 PolarHBondContact O-N 3.28Å; R384-A426 HydrophobicContact CG-CB 4.24Å; R384-A426 PolarHBondContact NE-O 3.38Å; R384-A426 PolarHBondContact NH2-O 2.86Å; R384-T428 PolarHBondContact NH2-OG1 3.23Å
385	D	95.5	Very high	91	Very high	60 Å²	60	75.4 Å²	75.4	32%	0.321	37%	0.37	S	S	.	.	H	α-helix	trans	-69.9	-35.6	-168.7	-60.1	-23.1	0	0	0	110.7	Q382 E389	Q382-D385 HydrophobicContact CB-CB 4.43Å; Q382-D385 PolarHBondContact NE2-OD2 2.87Å; Q382-D385 PolarHBondContact O-N 2.85Å; D385-E389 VanDerWaalsContact O-CB 3.3Å; D385-E389 WeakPolarHBondContact O-CB 3.37Å; D385-E389 PolarHBondContact O-N 3.38Å
386	L	95.6	Very high	91.1	Very high	40 Å²	40	76 Å²	76	21%	0.209	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-49.1	169.9	176.9	61.7	0	0	0	112.2	L375 I381 Q382 R384 E389 L390 F402	L375-L386 HydrophobicContact CD1-CD2 3.54Å; I381-L386 HydrophobicContact CG2-CB 4.1Å; Q382-L386 PolarHBondContact O-N 3.47Å; R384-L386 VanDerWaalsContact C-N 3.32Å; R384-L386 PolarHBondContact O-N 3.22Å; L386-E389 PolarHBondContact O-N 3.26Å; L386-L390 HydrophobicContact CD1-CD1 3.99Å; L386-L390 HydrophobicContact CD1-CG 4.34Å; L386-L390 HydrophobicContact CG-CD1 4.01Å; L386-L390 WeakPolarHBondContact O-CB 3.42Å; L386-L390 WeakPolarHBondContact O-CD1 3.33Å; L386-L390 VanDerWaalsContact O-CG 3.25Å; L386-L390 WeakPolarHBondContact O-CG 3.43Å; L386-L390 PolarHBondContact O-N 2.81Å; L386-F402 HydrophobicContact CD2-CD1 4.44Å; L386-F402 HydrophobicContact CD2-CE1 3.71Å; L386-F402 HydrophobicContact CD2-CZ 4.08Å
387	L	96.8	Very high	91.5	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-68.5	-40.6	-177.7	-72.4	173.7	0	0	0	112.1	M365 T369 L383 R384 L390 M391 C399 F402 F419	M365-L387 HydrophobicContact CB-CD1 3.7Å; M365-L387 HydrophobicContact CG-CD1 3.72Å; M365-L387 HydrophobicContact SD-CB 4.43Å; M365-L387 HydrophobicContact SD-CD1 3.89Å; T369-L387 HydrophobicContact CG2-CD1 4.16Å; L383-L387 HydrophobicContact CD1-CD1 3.85Å; L383-L387 HydrophobicContact CD1-CG 4.22Å; L383-L387 HydrophobicContact CG-CD1 4.01Å; L383-L387 WeakPolarHBondContact O-CB 3.48Å; L383-L387 WeakPolarHBondContact O-CG 3.29Å; L383-L387 PolarHBondContact O-N 2.9Å; L383-L387 VanDerWaalsContact O-N 3.09Å; R384-L387 PolarHBondContact O-N 3.13Å; L387-L390 PolarHBondContact O-N 3.19Å; L387-M391 VanDerWaalsContact O-CG 3.24Å; L387-M391 WeakPolarHBondContact O-CG 3.27Å; L387-M391 PolarHBondContact O-N 3.18Å; L387-C399 HydrophobicContact CD2-CB 4.44Å; L387-F402 HydrophobicContact CD2-CB 4.36Å; L387-F402 HydrophobicContact CD2-CG 4.49Å; L387-F419 HydrophobicContact CD1-CE1 4.24Å; L387-F419 HydrophobicContact CD2-CE1 4.01Å
388	I	95.7	Very high	92.1	Very high	27 Å²	27	72.5 Å²	72.5	14%	0.138	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-45.6	174.4	-65.5	-66	0	0	0	110.6	M365 R384 L390 M391 E392	M365-I388 HydrophobicContact CE-CD1 4.41Å; R384-I388 HydrophobicContact CG-CG1 4.19Å; R384-I388 WeakPolarHBondContact O-CB 3.37Å; R384-I388 VanDerWaalsContact O-CG1 3.3Å; R384-I388 WeakPolarHBondContact O-CG1 3.27Å; R384-I388 PolarHBondContact O-N 3.28Å; I388-L390 VanDerWaalsContact C-N 3.29Å; I388-L390 PolarHBondContact O-N 3.13Å; I388-M391 HydrophobicContact CD1-SD 4.42Å; I388-M391 PolarHBondContact O-N 3.01Å; I388-E392 HydrophobicContact CG2-CG 4.32Å; I388-E392 WeakPolarHBondContact O-CB 3.48Å; I388-E392 WeakPolarHBondContact O-CG 3.35Å; I388-E392 PolarHBondContact O-N 2.84Å
389	E	94.9	Very high	93	Very high	98 Å²	98	66.4 Å²	66.4	46%	0.458	32%	0.317	S	S	.	.	H	α-helix	trans	-58.3	-40.9	175.9	177.2	171.2	171	0	0	112.1	D385 L386 K393	D385-E389 VanDerWaalsContact O-CB 3.3Å; D385-E389 WeakPolarHBondContact O-CB 3.37Å; D385-E389 PolarHBondContact O-N 3.38Å; L386-E389 PolarHBondContact O-N 3.26Å; E389-K393 HydrophobicContact CG-CD 3.66Å; E389-K393 HydrophobicContact CG-CG 4.23Å; E389-K393 VanDerWaalsContact O-CB 3.3Å; E389-K393 WeakPolarHBondContact O-CB 3.5Å; E389-K393 WeakPolarHBondContact O-CG 3.34Å; E389-K393 PolarHBondContact O-N 2.93Å; E389-K393 WeakPolarHBondContact OE1-CE 3.44Å; E389-K393 IonicContact OE1-NZ 2.67Å; E389-K393 PolarHBondContact OE1-NZ 3.07Å; E389-K393 IonicContact OE2-NZ 3.55Å
390	L	94.9	Very high	93.7	Very high	15 Å²	15	60.3 Å²	60.3	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-46.2	177.1	-73.6	167.3	0	0	0	112	L386 L387 I388 E392 R394 G395 S398 F402	L386-L390 HydrophobicContact CD1-CD1 3.99Å; L386-L390 HydrophobicContact CD1-CG 4.34Å; L386-L390 HydrophobicContact CG-CD1 4.01Å; L386-L390 WeakPolarHBondContact O-CB 3.42Å; L386-L390 WeakPolarHBondContact O-CD1 3.33Å; L386-L390 VanDerWaalsContact O-CG 3.25Å; L386-L390 WeakPolarHBondContact O-CG 3.43Å; L386-L390 PolarHBondContact O-N 2.81Å; L387-L390 PolarHBondContact O-N 3.19Å; I388-L390 VanDerWaalsContact C-N 3.29Å; I388-L390 PolarHBondContact O-N 3.13Å; L390-E392 VanDerWaalsContact C-N 3.33Å; L390-E392 PolarHBondContact O-N 2.86Å; L390-R394 CarbonylContact O-C 3.4Å; L390-R394 WeakPolarHBondContact O-CA 3.48Å; L390-R394 WeakPolarHBondContact O-CB 3.5Å; L390-R394 PolarHBondContact O-N 3.4Å; L390-G395 PolarHBondContact O-N 3.27Å; L390-S398 PolarHBondContact O-OG 2.67Å; L390-F402 HydrophobicContact CD1-CD2 3.79Å; L390-F402 HydrophobicContact CD1-CE2 3.31Å; L390-F402 HydrophobicContact CD1-CZ 3.85Å
391	M	94.2	Very high	94.3	Very high	43 Å²	43	57.4 Å²	57.4	21%	0.212	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-45	175.7	-70.5	170.9	65.2	0	0	111.5	L387 I388 G395 L396 C399	L387-M391 VanDerWaalsContact O-CG 3.24Å; L387-M391 WeakPolarHBondContact O-CG 3.27Å; L387-M391 PolarHBondContact O-N 3.18Å; I388-M391 HydrophobicContact CD1-SD 4.42Å; I388-M391 PolarHBondContact O-N 3.01Å; M391-G395 VanDerWaalsContact O-CA 3.32Å; M391-G395 WeakPolarHBondContact O-CA 3.36Å; M391-G395 PolarHBondContact O-N 3.49Å; M391-L396 HydrophobicContact CE-CD1 3.91Å; M391-L396 HydrophobicContact CG-CD1 3.99Å; M391-L396 HydrophobicContact SD-CD1 4.29Å; M391-C399 WeakPolarHBondContact CG-SG 3.43Å
392	E	93.3	Very high	94.5	Very high	155 Å²	155	57.6 Å²	57.6	72%	0.724	29%	0.285	S	S	*	.	H	α-helix	trans	-74.1	-43.7	-177.8	-70.4	-179.6	170.7	0	0	113.3	I388 L390	I388-E392 HydrophobicContact CG2-CG 4.32Å; I388-E392 WeakPolarHBondContact O-CB 3.48Å; I388-E392 WeakPolarHBondContact O-CG 3.35Å; I388-E392 PolarHBondContact O-N 2.84Å; L390-E392 VanDerWaalsContact C-N 3.33Å; L390-E392 PolarHBondContact O-N 2.86Å
393	K	94.9	Very high	94.7	Very high	144 Å²	144	56.7 Å²	56.7	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-92.9	-22.5	-172.8	-62.2	-175.9	-172.1	170.9	0	114.8	E389	E389-K393 HydrophobicContact CG-CD 3.66Å; E389-K393 HydrophobicContact CG-CG 4.23Å; E389-K393 VanDerWaalsContact O-CB 3.3Å; E389-K393 WeakPolarHBondContact O-CB 3.5Å; E389-K393 WeakPolarHBondContact O-CG 3.34Å; E389-K393 PolarHBondContact O-N 2.93Å; E389-K393 WeakPolarHBondContact OE1-CE 3.44Å; E389-K393 IonicContact OE1-NZ 2.67Å; E389-K393 PolarHBondContact OE1-NZ 3.07Å; E389-K393 IonicContact OE2-NZ 3.55Å
394	R	93.1	Very high	94.7	Very high	196 Å²	196	57 Å²	57	74%	0.74	28%	0.284	S	S	*	.	H	α-helix	trans	-130.6	0.3	-173.5	-59.6	-173	-176.8	-174.9	0.1	113.9	L390	L390-R394 CarbonylContact O-C 3.4Å; L390-R394 WeakPolarHBondContact O-CA 3.48Å; L390-R394 WeakPolarHBondContact O-CB 3.5Å; L390-R394 PolarHBondContact O-N 3.4Å
395	G	92.4	Very high	94.7	Very high	33 Å²	33	64.4 Å²	64.4	34%	0.34	32%	0.317	S	S	.	.			trans	75.8	164.6	-177.9	0	0	0	0	0	113.4	L390 M391 D397 S398	L390-G395 PolarHBondContact O-N 3.27Å; M391-G395 VanDerWaalsContact O-CA 3.32Å; M391-G395 WeakPolarHBondContact O-CA 3.36Å; M391-G395 PolarHBondContact O-N 3.49Å; G395-D397 VanDerWaalsContact C-N 3.29Å; G395-D397 PolarHBondContact O-N 3.26Å; G395-S398 WeakPolarHBondContact O-CB 3.28Å; G395-S398 PolarHBondContact O-N 2.96Å; G395-S398 PolarHBondContact O-OG 3.05Å
396	L	91.3	Very high	94.8	Very high	45 Å²	45	65.7 Å²	65.7	24%	0.236	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-64.3	-27.8	-168.5	-169.9	53	0	0	0	114.3	M391 S398 C399 I416 F419 C420	M391-L396 HydrophobicContact CE-CD1 3.91Å; M391-L396 HydrophobicContact CG-CD1 3.99Å; M391-L396 HydrophobicContact SD-CD1 4.29Å; L396-S398 PolarHBondContact O-N 3.12Å; L396-C399 WeakPolarHBondContact O-CB 3.34Å; L396-C399 PolarHBondContact O-N 3.4Å; L396-I416 HydrophobicContact CB-CD1 4.39Å; L396-I416 HydrophobicContact CD2-CG2 3.7Å; L396-I416 HydrophobicContact CG-CD1 3.9Å; L396-I416 HydrophobicContact CG-CG2 4.21Å; L396-F419 HydrophobicContact CD1-CB 3.58Å; L396-C420 HydrophobicContact CD2-CB 3.9Å
397	D	92.1	Very high	94.8	Very high	78 Å²	78	64.6 Å²	64.6	42%	0.417	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-64	-25.9	174.2	-80.1	-63.9	0	0	0	113.5	G395 C399 L400 R412	G395-D397 VanDerWaalsContact C-N 3.29Å; G395-D397 PolarHBondContact O-N 3.26Å; D397-C399 PolarHBondContact O-N 2.87Å; D397-L400 HydrophobicContact CB-CD1 4.45Å; D397-L400 VanDerWaalsContact O-CB 3.31Å; D397-L400 WeakPolarHBondContact O-CB 3.22Å; D397-L400 WeakPolarHBondContact O-CG 3.31Å; D397-L400 PolarHBondContact O-N 3.17Å; D397-L400 VanDerWaalsContact O-N 3.14Å; D397-L400 WeakPolarHBondContact OD1-CD1 3.36Å; D397-R412 IonicContact OD1-CZ 3.22Å; D397-R412 IonicContact OD1-NE 2.76Å; D397-R412 PolarHBondContact OD1-NE 3.09Å; D397-R412 IonicContact OD1-NH2 3.72Å; D397-R412 PolarHBondContact OD1-NH2 2.99Å; D397-R412 IonicContact OD2-CZ 3.18Å; D397-R412 IonicContact OD2-NH2 2.69Å; D397-R412 PolarHBondContact OD2-NH2 3.46Å
398	S	93.4	Very high	94.7	Very high	24 Å²	24	69.5 Å²	69.5	17%	0.168	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-64.7	-29	179.2	70.3	0	0	0	0	112.7	L390 G395 L396 L400 S401	L390-S398 PolarHBondContact O-OG 2.67Å; G395-S398 WeakPolarHBondContact O-CB 3.28Å; G395-S398 PolarHBondContact O-N 2.96Å; G395-S398 PolarHBondContact O-OG 3.05Å; L396-S398 PolarHBondContact O-N 3.12Å; S398-L400 PolarHBondContact O-N 3.12Å; S398-S401 PolarHBondContact O-N 2.96Å; S398-S401 PolarHBondContact O-OG 3.4Å
399	C	94.7	Very high	94.5	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-66	-23.5	176.5	-57.1	0	0	0	0	113.1	L387 M391 L396 D397 S401 F402 F419	L387-C399 HydrophobicContact CD2-CB 4.44Å; M391-C399 WeakPolarHBondContact CG-SG 3.43Å; L396-C399 WeakPolarHBondContact O-CB 3.34Å; L396-C399 PolarHBondContact O-N 3.4Å; D397-C399 PolarHBondContact O-N 2.87Å; C399-S401 PolarHBondContact O-N 2.76Å; C399-S401 VanDerWaalsContact O-N 3.16Å; C399-F402 WeakPolarHBondContact O-CB 3.47Å; C399-F402 PolarHBondContact O-N 2.92Å; C399-F419 HydrophobicContact CB-CB 4.49Å; C399-F419 HydrophobicContact CB-CD1 3.79Å; C399-F419 HydrophobicContact CB-CD2 3.78Å; C399-F419 HydrophobicContact CB-CE1 3.84Å; C399-F419 HydrophobicContact CB-CE2 3.83Å; C399-F419 HydrophobicContact CB-CG 3.77Å; C399-F419 HydrophobicContact CB-CZ 3.87Å; C399-F419 WeakPolarHBondContact O-CZ 3.34Å
400	L	94.9	Very high	94.5	Very high	45 Å²	45	70.5 Å²	70.5	24%	0.236	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-60.3	-27.3	177.6	-58	177.4	0	0	0	112.4	D397 S398 F402 L403 R412 S415 I416	D397-L400 HydrophobicContact CB-CD1 4.45Å; D397-L400 VanDerWaalsContact O-CB 3.31Å; D397-L400 WeakPolarHBondContact O-CB 3.22Å; D397-L400 WeakPolarHBondContact O-CG 3.31Å; D397-L400 PolarHBondContact O-N 3.17Å; D397-L400 VanDerWaalsContact O-N 3.14Å; D397-L400 WeakPolarHBondContact OD1-CD1 3.36Å; S398-L400 PolarHBondContact O-N 3.12Å; L400-F402 PolarHBondContact O-N 3.12Å; L400-L403 HydrophobicContact CB-CD1 4.33Å; L400-L403 HydrophobicContact CD2-CD1 3.97Å; L400-L403 WeakPolarHBondContact O-CB 3.2Å; L400-L403 PolarHBondContact O-N 3.29Å; L400-R412 HydrophobicContact CD1-CG 4.06Å; L400-S415 VanDerWaalsContact CD2-CB 3.4Å; L400-I416 HydrophobicContact CD1-CD1 4.16Å; L400-I416 HydrophobicContact CD2-CD1 3.97Å; L400-I416 HydrophobicContact CD2-CG1 4.22Å; L400-I416 HydrophobicContact CG-CD1 4.12Å
401	S	94.5	Very high	94.5	Very high	70 Å²	70	71.6 Å²	71.6	49%	0.49	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-67.9	-14.7	175.8	67.9	0	0	0	0	114.5	S398 C399 K405	S398-S401 PolarHBondContact O-N 2.96Å; S398-S401 PolarHBondContact O-OG 3.4Å; C399-S401 PolarHBondContact O-N 2.76Å; C399-S401 VanDerWaalsContact O-N 3.16Å; S401-K405 WeakPolarHBondContact O-CE 3.38Å; S401-K405 PolarHBondContact O-NZ 3.01Å
402	F	95.6	Very high	94.5	Very high	66 Å²	66	75 Å²	75	29%	0.289	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-102.6	0.7	177.7	-71.5	-94.4	0	0	0	113.7	T369 L386 L387 L390 C399 L400	T369-F402 VanDerWaalsContact CA-O 3.27Å; T369-F402 WeakPolarHBondContact CA-O 3.05Å; T369-F402 WeakPolarHBondContact CB-O 3.27Å; T369-F402 HydrophobicContact CG2-CB 4.05Å; T369-F402 WeakPolarHBondContact CG2-O 3.45Å; L386-F402 HydrophobicContact CD2-CD1 4.44Å; L386-F402 HydrophobicContact CD2-CE1 3.71Å; L386-F402 HydrophobicContact CD2-CZ 4.08Å; L387-F402 HydrophobicContact CD2-CB 4.36Å; L387-F402 HydrophobicContact CD2-CG 4.49Å; L390-F402 HydrophobicContact CD1-CD2 3.79Å; L390-F402 HydrophobicContact CD1-CE2 3.31Å; L390-F402 HydrophobicContact CD1-CZ 3.85Å; C399-F402 WeakPolarHBondContact O-CB 3.47Å; C399-F402 PolarHBondContact O-N 2.92Å; L400-F402 PolarHBondContact O-N 3.12Å
403	L	97.4	Very high	94.4	Very high	29 Å²	29	70.4 Å²	70.4	15%	0.152	36%	0.362	C	S	.	.	S	Bend	trans	-55.7	144.4	171.7	-74.7	169.1	0	0	0	111	W264 L368 L400 K405 F419	W264-L403 HydrophobicContact CH2-CD2 3.92Å; W264-L403 HydrophobicContact CZ2-CD2 4.39Å; L368-L403 HydrophobicContact CD2-CD2 4.08Å; L400-L403 HydrophobicContact CB-CD1 4.33Å; L400-L403 HydrophobicContact CD2-CD1 3.97Å; L400-L403 WeakPolarHBondContact O-CB 3.2Å; L400-L403 PolarHBondContact O-N 3.29Å; L403-K405 WeakPolarHBondContact O-CG 3.48Å; L403-K405 PolarHBondContact O-N 3.05Å; L403-K405 VanDerWaalsContact O-N 3.07Å; L403-F419 HydrophobicContact CD2-CE2 3.73Å; L403-F419 HydrophobicContact CD2-CZ 4.12Å; L403-F419 HydrophobicContact CG-CE2 4.07Å; L403-F419 HydrophobicContact CG-CZ 4.47Å
404	D	97.4	Very high	94.5	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.043	33%	0.332	C	S	.	.			trans	-61.2	110	-175.5	-170.6	-8.7	0	0	0	112.7	W264 R267 L368 T369 K406 V407	W264-D404 HydrophobicContact CH2-CB 4.41Å; R267-D404 IonicContact CZ-OD2 2.72Å; R267-D404 VanDerWaalsContact CZ-OD2 3.22Å; R267-D404 IonicContact NH1-OD2 2.88Å; R267-D404 PolarHBondContact NH1-OD2 2.85Å; R267-D404 IonicContact NH2-OD2 2.78Å; R267-D404 PolarHBondContact NH2-OD2 2.99Å; L368-D404 PolarHBondContact O-N 2.99Å; T369-D404 WeakPolarHBondContact O-CA 3.27Å; T369-D404 WeakPolarHBondContact O-CB 3.26Å; D404-K406 VanDerWaalsContact CG-CE 3.41Å; D404-K406 PolarHBondContact O-N 2.96Å; D404-K406 WeakPolarHBondContact OD1-CB 3.46Å; D404-K406 WeakPolarHBondContact OD1-CE 3.5Å; D404-K406 WeakPolarHBondContact OD1-CG 3.5Å; D404-K406 PolarHBondContact OD1-N 3.01Å; D404-K406 VanDerWaalsContact OD2-CE 3.27Å; D404-K406 WeakPolarHBondContact OD2-CE 3.33Å; D404-K406 IonicContact OD2-NZ 2.81Å; D404-V407 HydrophobicContact CB-CG2 4.28Å; D404-V407 VanDerWaalsContact O-CG2 3.25Å; D404-V407 WeakPolarHBondContact O-CG2 3.39Å; D404-V407 PolarHBondContact O-N 2.87Å
405	K	96.8	Very high	94.6	Very high	177 Å²	177	54.3 Å²	54.3	77%	0.77	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-3.9	-177.4	-61.6	169.2	-170.8	164.2	0	113.3	S401 L403 V407	S401-K405 WeakPolarHBondContact O-CE 3.38Å; S401-K405 PolarHBondContact O-NZ 3.01Å; L403-K405 WeakPolarHBondContact O-CG 3.48Å; L403-K405 PolarHBondContact O-N 3.05Å; L403-K405 VanDerWaalsContact O-N 3.07Å; K405-V407 PolarHBondContact O-N 3.37Å
406	K	96.3	Very high	94.8	Very high	86 Å²	86	54.2 Å²	54.2	37%	0.374	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.4	172.8	-63.1	169.6	-75.8	-169.3	0	112.6	L253 P261 G370 D404	L253-K406 PolarHBondContact O-NZ 3.36Å; P261-K406 HydrophobicContact CB-CB 4Å; P261-K406 HydrophobicContact CG-CB 3.79Å; P261-K406 WeakPolarHBondContact CG-O 3.39Å; G370-K406 PolarHBondContact O-NZ 3.45Å; D404-K406 VanDerWaalsContact CG-CE 3.41Å; D404-K406 PolarHBondContact O-N 2.96Å; D404-K406 WeakPolarHBondContact OD1-CB 3.46Å; D404-K406 WeakPolarHBondContact OD1-CE 3.5Å; D404-K406 WeakPolarHBondContact OD1-CG 3.5Å; D404-K406 PolarHBondContact OD1-N 3.01Å; D404-K406 VanDerWaalsContact OD2-CE 3.27Å; D404-K406 WeakPolarHBondContact OD2-CE 3.33Å; D404-K406 IonicContact OD2-NZ 2.81Å
407	V	95.8	Very high	95	Very high	18 Å²	18	55.9 Å²	55.9	11%	0.109	29%	0.294	C	S	.	.	S	Bend	trans	-128.9	157.4	177.3	-71.8	0	0	0	0	111.8	P261 L262 W264 D404 K405	P261-V407 HydrophobicContact CB-CG1 3.71Å; L262-V407 WeakPolarHBondContact O-CG1 3.25Å; W264-V407 HydrophobicContact CD2-CG2 4.44Å; W264-V407 HydrophobicContact CH2-CG2 4.48Å; W264-V407 HydrophobicContact CZ2-CG2 3.55Å; D404-V407 HydrophobicContact CB-CG2 4.28Å; D404-V407 VanDerWaalsContact O-CG2 3.25Å; D404-V407 WeakPolarHBondContact O-CG2 3.39Å; D404-V407 PolarHBondContact O-N 2.87Å; K405-V407 PolarHBondContact O-N 3.37Å
408	P	95	Very high	95.3	Very high	103 Å²	103	52.4 Å²	52.4	67%	0.669	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-57.1	151.1	171.7	-24.4	34.7	0	0	0	112.1	W264	W264-P408 PolarHBondContact NE1-O 3.44Å
409	P	92.4	Very high	95.5	Very high	128 Å²	128	51.3 Å²	51.3	83%	0.831	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-57.5	143.6	177.2	-25.1	34.7	0	0	0	113.2
410	C	93.7	Very high	95.7	Very high	18 Å²	18	53.5 Å²	53.5	12%	0.122	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-99.1	164.9	170.2	48.4	0	0	0	0	111.3	W264 F414 S415 L450	W264-C410 HydrophobicContact CB-CB 4.43Å; W264-C410 HydrophobicContact CD2-CB 3.92Å; W264-C410 HydrophobicContact CG-CB 3.73Å; C410-F414 HydrophobicContact CB-CD1 3.8Å; C410-F414 HydrophobicContact CB-CE1 4.12Å; C410-S415 PolarHBondContact SG-OG 3.29Å; C410-L450 HydrophobicContact CB-CD1 4.15Å
411	P	95.1	Very high	95.9	Very high	38 Å²	38	51.4 Å²	51.4	25%	0.247	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-55	144.7	178.7	-26.8	36.1	0	0	0	112.6	N413 F414 S415	P411-N413 PolarHBondContact O-N 3.16Å; P411-F414 HydrophobicContact CB-CB 4.22Å; P411-F414 WeakPolarHBondContact O-CB 3.48Å; P411-F414 PolarHBondContact O-N 3.27Å; P411-S415 PolarHBondContact O-N 3.04Å; P411-S415 VanDerWaalsContact O-N 3.12Å; P411-S415 PolarHBondContact O-OG 3.21Å; P411-S415 VanDerWaalsContact O-OG 3.12Å
412	R	93.9	Very high	96.1	Very high	114 Å²	114	48.1 Å²	48.1	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-46.2	-178.9	178.2	171	168.2	-89.8	1.2	111.3	D397 L400 F414 S415 I416	D397-R412 IonicContact OD1-CZ 3.22Å; D397-R412 IonicContact OD1-NE 2.76Å; D397-R412 PolarHBondContact OD1-NE 3.09Å; D397-R412 IonicContact OD1-NH2 3.72Å; D397-R412 PolarHBondContact OD1-NH2 2.99Å; D397-R412 IonicContact OD2-CZ 3.18Å; D397-R412 IonicContact OD2-NH2 2.69Å; D397-R412 PolarHBondContact OD2-NH2 3.46Å; L400-R412 HydrophobicContact CD1-CG 4.06Å; R412-F414 VanDerWaalsContact C-N 3.32Å; R412-F414 PolarHBondContact O-N 2.99Å; R412-S415 WeakPolarHBondContact O-CB 3.28Å; R412-S415 PolarHBondContact O-N 3.24Å; R412-S415 VanDerWaalsContact O-N 3.17Å; R412-I416 HydrophobicContact CG-CG1 3.85Å; R412-I416 WeakPolarHBondContact O-CB 3.36Å; R412-I416 VanDerWaalsContact O-CG1 3.24Å; R412-I416 WeakPolarHBondContact O-CG1 3.33Å; R412-I416 PolarHBondContact O-N 2.94Å
413	N	92.6	Very high	96.2	Very high	59 Å²	59	45.4 Å²	45.4	32%	0.316	24%	0.239	S	C	.	.	H	α-helix	trans	-63.5	-35.5	-179.2	-65.1	-20.6	0	0	0	113.1	P411 K417 D455	P411-N413 PolarHBondContact O-N 3.16Å; N413-K417 WeakPolarHBondContact O-CB 3.49Å; N413-K417 WeakPolarHBondContact O-CG 3.28Å; N413-K417 PolarHBondContact O-N 3.27Å; N413-D455 PolarHBondContact ND2-OD1 2.96Å
414	F	95.7	Very high	96.2	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-51.8	172.1	171.1	-91.2	0	0	0	110.7	W264 I268 C410 P411 R412 I416 K417 L418 T446 L450	W264-F414 HydrophobicContact CB-CE1 4.45Å; W264-F414 HydrophobicContact CB-CZ 4.49Å; W264-F414 HydrophobicContact CD2-CE1 4.3Å; W264-F414 AromaticContact CE3-CE1 3.84Å; W264-F414 HydrophobicContact CE3-CE1 3.84Å; W264-F414 HydrophobicContact CE3-CZ 4.41Å; I268-F414 HydrophobicContact CB-CE2 4.02Å; I268-F414 HydrophobicContact CB-CZ 4.11Å; I268-F414 HydrophobicContact CG1-CE2 4.13Å; I268-F414 HydrophobicContact CG2-CE2 4.28Å; C410-F414 HydrophobicContact CB-CD1 3.8Å; C410-F414 HydrophobicContact CB-CE1 4.12Å; P411-F414 HydrophobicContact CB-CB 4.22Å; P411-F414 WeakPolarHBondContact O-CB 3.48Å; P411-F414 PolarHBondContact O-N 3.27Å; R412-F414 VanDerWaalsContact C-N 3.32Å; R412-F414 PolarHBondContact O-N 2.99Å; F414-I416 PolarHBondContact O-N 3.43Å; F414-K417 PolarHBondContact O-N 3.28Å; F414-L418 HydrophobicContact CD1-CD1 4.2Å; F414-L418 HydrophobicContact CD2-CD1 4.47Å; F414-L418 HydrophobicContact CE1-CD1 3.66Å; F414-L418 HydrophobicContact CE2-CD1 3.97Å; F414-L418 HydrophobicContact CZ-CD1 3.54Å; F414-L418 WeakPolarHBondContact O-CG 3.34Å; F414-L418 PolarHBondContact O-N 3.46Å; F414-T446 HydrophobicContact CD2-CG2 3.73Å; F414-T446 WeakPolarHBondContact CD2-O 3.3Å; F414-T446 HydrophobicContact CE2-CG2 4.25Å; F414-T446 HydrophobicContact CG-CG2 4.34Å; F414-L450 HydrophobicContact CD1-CD1 4.28Å; F414-L450 HydrophobicContact CD2-CB 3.73Å; F414-L450 HydrophobicContact CD2-CD1 4.1Å; F414-L450 HydrophobicContact CD2-CG 4.35Å; F414-L450 HydrophobicContact CE1-CD1 4.33Å; F414-L450 HydrophobicContact CE2-CB 3.89Å; F414-L450 HydrophobicContact CE2-CD1 4.14Å; F414-L450 HydrophobicContact CE2-CD2 4.01Å; F414-L450 HydrophobicContact CE2-CG 4.24Å; F414-L450 HydrophobicContact CG-CB 4.48Å; F414-L450 HydrophobicContact CG-CD1 4.16Å; F414-L450 HydrophobicContact CZ-CD1 4.25Å; F414-L450 HydrophobicContact CZ-CD2 4.23Å
415	S	95.9	Very high	96.3	Very high	1 Å²	1	48 Å²	48	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-48.6	179.7	-54.1	0	0	0	0	112.7	L400 C410 P411 R412 L418 F419	L400-S415 VanDerWaalsContact CD2-CB 3.4Å; C410-S415 PolarHBondContact SG-OG 3.29Å; P411-S415 PolarHBondContact O-N 3.04Å; P411-S415 VanDerWaalsContact O-N 3.12Å; P411-S415 PolarHBondContact O-OG 3.21Å; P411-S415 VanDerWaalsContact O-OG 3.12Å; R412-S415 WeakPolarHBondContact O-CB 3.28Å; R412-S415 PolarHBondContact O-N 3.24Å; R412-S415 VanDerWaalsContact O-N 3.17Å; S415-L418 PolarHBondContact O-N 2.86Å; S415-F419 VanDerWaalsContact O-CD2 3.29Å; S415-F419 WeakPolarHBondContact O-CD2 3.35Å; S415-F419 PolarHBondContact O-N 2.85Å
416	I	95.5	Very high	96.3	Very high	31 Å²	31	39.6 Å²	39.6	16%	0.159	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-42.6	-178	-70.1	-65.9	0	0	0	111.3	L396 L400 R412 F414 C420	L396-I416 HydrophobicContact CB-CD1 4.39Å; L396-I416 HydrophobicContact CD2-CG2 3.7Å; L396-I416 HydrophobicContact CG-CD1 3.9Å; L396-I416 HydrophobicContact CG-CG2 4.21Å; L400-I416 HydrophobicContact CD1-CD1 4.16Å; L400-I416 HydrophobicContact CD2-CD1 3.97Å; L400-I416 HydrophobicContact CD2-CG1 4.22Å; L400-I416 HydrophobicContact CG-CD1 4.12Å; R412-I416 HydrophobicContact CG-CG1 3.85Å; R412-I416 WeakPolarHBondContact O-CB 3.36Å; R412-I416 VanDerWaalsContact O-CG1 3.24Å; R412-I416 WeakPolarHBondContact O-CG1 3.33Å; R412-I416 PolarHBondContact O-N 2.94Å; F414-I416 PolarHBondContact O-N 3.43Å; I416-C420 WeakPolarHBondContact O-CB 3.46Å; I416-C420 PolarHBondContact O-N 2.95Å
417	K	96.9	Very high	96.4	Very high	80 Å²	80	36.3 Å²	36.3	35%	0.348	20%	0.202	S	C	.	.	H	α-helix	trans	-59.5	-46.6	174.3	-76.9	176.3	-179.5	-174.7	0	111.8	N413 F414 C420 L421 T446 S449	N413-K417 WeakPolarHBondContact O-CB 3.49Å; N413-K417 WeakPolarHBondContact O-CG 3.28Å; N413-K417 PolarHBondContact O-N 3.27Å; F414-K417 PolarHBondContact O-N 3.28Å; K417-C420 PolarHBondContact O-N 2.87Å; K417-L421 WeakPolarHBondContact O-CB 3.41Å; K417-L421 PolarHBondContact O-N 3.4Å; K417-T446 HydrophobicContact CB-CG2 3.84Å; K417-T446 HydrophobicContact CD-CG2 4.08Å; K417-T446 WeakPolarHBondContact CD-OG1 3.42Å; K417-S449 PolarHBondContact NZ-OG 3.25Å
418	L	98.2	Very high	96.4	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-69.3	-40.4	-178.4	-65.5	-178.5	0	0	0	113.1	I268 I364 L368 F414 S415 C420 L421 A422 L443 T446	I268-L418 HydrophobicContact CD1-CD1 4.29Å; I268-L418 HydrophobicContact CD1-CD2 3.89Å; I364-L418 HydrophobicContact CG2-CB 4.38Å; L368-L418 HydrophobicContact CD1-CB 3.83Å; L368-L418 HydrophobicContact CD2-CB 3.85Å; L368-L418 HydrophobicContact CD2-CD1 3.93Å; L368-L418 HydrophobicContact CG-CB 4.24Å; F414-L418 HydrophobicContact CD1-CD1 4.2Å; F414-L418 HydrophobicContact CD2-CD1 4.47Å; F414-L418 HydrophobicContact CE1-CD1 3.66Å; F414-L418 HydrophobicContact CE2-CD1 3.97Å; F414-L418 HydrophobicContact CZ-CD1 3.54Å; F414-L418 WeakPolarHBondContact O-CG 3.34Å; F414-L418 PolarHBondContact O-N 3.46Å; S415-L418 PolarHBondContact O-N 2.86Å; L418-C420 VanDerWaalsContact C-N 3.34Å; L418-L421 PolarHBondContact O-N 3.06Å; L418-A422 VanDerWaalsContact O-CB 3.27Å; L418-A422 WeakPolarHBondContact O-CB 3.34Å; L418-A422 PolarHBondContact O-N 3.26Å; L418-L443 HydrophobicContact CD2-CD2 3.66Å; L418-T446 HydrophobicContact CD1-CG2 4.48Å; L418-T446 HydrophobicContact CD2-CG2 3.78Å; L418-T446 HydrophobicContact CG-CG2 3.81Å
419	F	98.3	Very high	96.4	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-39	173.2	-80.3	-64.9	0	0	0	111.8	L368 T369 L387 L396 C399 L403 S415 A422 G423	L368-F419 HydrophobicContact CB-CE1 4.06Å; L368-F419 HydrophobicContact CB-CZ 4.01Å; L368-F419 HydrophobicContact CD1-CB 4.46Å; L368-F419 HydrophobicContact CD1-CD1 3.58Å; L368-F419 HydrophobicContact CD1-CD2 4.15Å; L368-F419 HydrophobicContact CD1-CE1 3.74Å; L368-F419 HydrophobicContact CD1-CE2 4.3Å; L368-F419 HydrophobicContact CD1-CG 3.79Å; L368-F419 HydrophobicContact CD1-CZ 4.1Å; T369-F419 HydrophobicContact CG2-CE1 4.31Å; T369-F419 HydrophobicContact CG2-CZ 4.43Å; L387-F419 HydrophobicContact CD1-CE1 4.24Å; L387-F419 HydrophobicContact CD2-CE1 4.01Å; L396-F419 HydrophobicContact CD1-CB 3.58Å; C399-F419 HydrophobicContact CB-CB 4.49Å; C399-F419 HydrophobicContact CB-CD1 3.79Å; C399-F419 HydrophobicContact CB-CD2 3.78Å; C399-F419 HydrophobicContact CB-CE1 3.84Å; C399-F419 HydrophobicContact CB-CE2 3.83Å; C399-F419 HydrophobicContact CB-CG 3.77Å; C399-F419 HydrophobicContact CB-CZ 3.87Å; C399-F419 WeakPolarHBondContact O-CZ 3.34Å; L403-F419 HydrophobicContact CD2-CE2 3.73Å; L403-F419 HydrophobicContact CD2-CZ 4.12Å; L403-F419 HydrophobicContact CG-CE2 4.07Å; L403-F419 HydrophobicContact CG-CZ 4.47Å; S415-F419 VanDerWaalsContact O-CD2 3.29Å; S415-F419 WeakPolarHBondContact O-CD2 3.35Å; S415-F419 PolarHBondContact O-N 2.85Å; F419-A422 PolarHBondContact O-N 3.36Å; F419-G423 PolarHBondContact O-N 3.32Å
420	C	97.6	Very high	96.5	Very high	46 Å²	46	37 Å²	37	31%	0.311	19%	0.187	S	C	.	.	H	α-helix	trans	-60.6	-51	175.2	-167.7	0	0	0	0	111.4	L396 I416 K417 L418 A422 G423 Q424	L396-C420 HydrophobicContact CD2-CB 3.9Å; I416-C420 WeakPolarHBondContact O-CB 3.46Å; I416-C420 PolarHBondContact O-N 2.95Å; K417-C420 PolarHBondContact O-N 2.87Å; L418-C420 VanDerWaalsContact C-N 3.34Å; C420-A422 PolarHBondContact O-N 2.69Å; C420-G423 PolarHBondContact O-N 2.78Å; C420-Q424 WeakPolarHBondContact O-CG 3.31Å; C420-Q424 PolarHBondContact O-N 3Å
421	L	98.6	Very high	96.6	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-44.9	177.6	-178.3	63	0	0	0	111.6	I364 K417 L418 G423 Q424 C425 P434 V439 T442 L443	I364-L421 HydrophobicContact CD1-CD2 4.21Å; I364-L421 HydrophobicContact CD1-CG 4.22Å; K417-L421 WeakPolarHBondContact O-CB 3.41Å; K417-L421 PolarHBondContact O-N 3.4Å; L418-L421 PolarHBondContact O-N 3.06Å; L421-G423 PolarHBondContact O-N 3.21Å; L421-Q424 PolarHBondContact O-N 3.03Å; L421-C425 WeakPolarHBondContact O-CB 3.48Å; L421-C425 PolarHBondContact O-N 3.01Å; L421-C425 PolarHBondContact O-SG 3.07Å; L421-P434 HydrophobicContact CD1-CG 4.48Å; L421-V439 HydrophobicContact CD1-CG2 4.17Å; L421-V439 HydrophobicContact CD2-CG1 4.4Å; L421-T442 HydrophobicContact CB-CG2 4.37Å; L421-T442 HydrophobicContact CD1-CG2 4.11Å; L421-T442 HydrophobicContact CD2-CG2 3.92Å; L421-T442 HydrophobicContact CG-CG2 4.36Å; L421-L443 HydrophobicContact CD2-CD2 3.78Å; L421-L443 HydrophobicContact CD2-CG 3.82Å
422	A	98.6	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-45.1	177.3	0	0	0	0	0	112.2	I364 M365 L418 F419 C420 C425 A426	I364-A422 HydrophobicContact CB-CB 3.91Å; I364-A422 HydrophobicContact CG2-CB 3.79Å; M365-A422 HydrophobicContact CE-CB 4.03Å; M365-A422 HydrophobicContact CG-CB 3.86Å; L418-A422 VanDerWaalsContact O-CB 3.27Å; L418-A422 WeakPolarHBondContact O-CB 3.34Å; L418-A422 PolarHBondContact O-N 3.26Å; F419-A422 PolarHBondContact O-N 3.36Å; C420-A422 PolarHBondContact O-N 2.69Å; A422-C425 PolarHBondContact O-N 3.23Å; A422-A426 VanDerWaalsContact O-CB 3.28Å; A422-A426 WeakPolarHBondContact O-CB 3.44Å; A422-A426 PolarHBondContact O-N 3.38Å
423	G	98.2	Very high	96.8	Very high	9 Å²	9	43.5 Å²	43.5	9%	0.093	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-38	177	0	0	0	0	0	113.5	F419 C420 L421 A427	F419-G423 PolarHBondContact O-N 3.32Å; C420-G423 PolarHBondContact O-N 2.78Å; L421-G423 PolarHBondContact O-N 3.21Å; G423-A427 PolarHBondContact O-N 3.24Å; G423-A427 VanDerWaalsContact O-N 3.1Å
424	Q	98.2	Very high	97.1	Very high	92 Å²	92	41.2 Å²	41.2	43%	0.43	21%	0.205	S	C	.	.	H	α-helix	trans	-64.9	-45.9	173	-70.7	173.8	-2.1	0	0	111.6	C420 L421 A427 R433	C420-Q424 WeakPolarHBondContact O-CG 3.31Å; C420-Q424 PolarHBondContact O-N 3Å; L421-Q424 PolarHBondContact O-N 3.03Å; Q424-A427 VanDerWaalsContact O-CB 3.27Å; Q424-A427 WeakPolarHBondContact O-CB 3.45Å; Q424-A427 PolarHBondContact O-N 3.45Å; Q424-R433 WeakPolarHBondContact O-CA 3.3Å
425	C	98.8	Very high	97.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-48.8	175.1	-71.3	0	0	0	0	111.9	V357 Y358 G361 L421 A422 A427 R433 V439	V357-C425 HydrophobicContact CG1-CB 4.06Å; V357-C425 WeakPolarHBondContact O-CB 3.36Å; Y358-C425 VanDerWaalsContact CA-O 3.31Å; Y358-C425 WeakPolarHBondContact CA-O 3.47Å; G361-C425 VanDerWaalsContact CA-CB 3.42Å; L421-C425 WeakPolarHBondContact O-CB 3.48Å; L421-C425 PolarHBondContact O-N 3.01Å; L421-C425 PolarHBondContact O-SG 3.07Å; A422-C425 PolarHBondContact O-N 3.23Å; C425-A427 PolarHBondContact O-N 3.32Å; C425-R433 WeakPolarHBondContact O-CD 3.47Å; C425-R433 VanDerWaalsContact O-CG 3.27Å; C425-R433 WeakPolarHBondContact O-CG 3.19Å; C425-V439 VanDerWaalsContact SG-CG2 3.58Å
426	A	98.1	Very high	97.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	10.7	-179.1	0	0	0	0	0	114.2	Y358 I362 M365 R384 A422 T428	Y358-A426 HydrophobicContact CD2-CB 4.47Å; Y358-A426 WeakPolarHBondContact CD2-O 3.24Å; Y358-A426 WeakPolarHBondContact CE2-O 3.49Å; I362-A426 HydrophobicContact CG1-CB 4.49Å; M365-A426 HydrophobicContact CE-CB 3.79Å; R384-A426 HydrophobicContact CG-CB 4.24Å; R384-A426 PolarHBondContact NE-O 3.38Å; R384-A426 PolarHBondContact NH2-O 2.86Å; A422-A426 VanDerWaalsContact O-CB 3.28Å; A422-A426 WeakPolarHBondContact O-CB 3.44Å; A422-A426 PolarHBondContact O-N 3.38Å; A426-T428 PolarHBondContact O-N 2.98Å
427	A	97.7	Very high	97.4	Very high	17 Å²	17	45 Å²	45	14%	0.14	23%	0.228	C	C	.	.			trans	-60.8	134.8	-178.2	0	0	0	0	0	111.9	G423 Q424 C425 R429 L432 R433	G423-A427 PolarHBondContact O-N 3.24Å; G423-A427 VanDerWaalsContact O-N 3.1Å; Q424-A427 VanDerWaalsContact O-CB 3.27Å; Q424-A427 WeakPolarHBondContact O-CB 3.45Å; Q424-A427 PolarHBondContact O-N 3.45Å; C425-A427 PolarHBondContact O-N 3.32Å; A427-R429 VanDerWaalsContact C-N 3.27Å; A427-R429 PolarHBondContact O-N 3.06Å; A427-L432 HydrophobicContact CB-CB 4.24Å; A427-R433 HydrophobicContact CB-CG 4.23Å; A427-R433 PolarHBondContact O-NE 2.98Å; A427-R433 PolarHBondContact O-NH2 2.97Å
428	T	95.4	Very high	97.5	Very high	66 Å²	66	45.9 Å²	45.9	41%	0.405	23%	0.233	S	C	.	.	S	Bend	trans	-57.9	-39.3	-175.6	-47	0	0	0	0	112	E343 R384 A426 A430 R433	E343-T428 HydrophobicContact CB-CG2 4.43Å; R384-T428 PolarHBondContact NH2-OG1 3.23Å; A426-T428 PolarHBondContact O-N 2.98Å; T428-A430 PolarHBondContact O-N 3.16Å; T428-R433 PolarHBondContact O-NH2 3.49Å
429	R	94.9	Very high	97.5	Very high	170 Å²	170	45.7 Å²	45.7	64%	0.642	23%	0.232	S	C	*	.	S	Bend	trans	-84.9	110.9	178.1	-63	172.9	72.4	-158.7	4.9	110.6	A427 K431 L432	A427-R429 VanDerWaalsContact C-N 3.27Å; A427-R429 PolarHBondContact O-N 3.06Å; R429-K431 PolarHBondContact O-N 2.96Å; R429-L432 HydrophobicContact CB-CD1 4.05Å; R429-L432 HydrophobicContact CB-CG 4.07Å; R429-L432 WeakPolarHBondContact O-CB 3.49Å; R429-L432 PolarHBondContact O-N 3.39Å
430	A	95.2	Very high	97.5	Very high	28 Å²	28	46.5 Å²	46.5	23%	0.231	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-50.6	-28.8	178.2	0	0	0	0	0	115.6	K354 T428 L432 R433	K354-A430 HydrophobicContact CB-CB 4.15Å; T428-A430 PolarHBondContact O-N 3.16Å; A430-L432 VanDerWaalsContact C-N 3.26Å; A430-L432 PolarHBondContact O-N 3.26Å; A430-R433 PolarHBondContact O-N 3.1Å
431	K	94.8	Very high	97.5	Very high	198 Å²	198	48.2 Å²	48.2	86%	0.861	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-69.2	-16	175.2	-67.9	-167.5	176.4	-170.1	0	114.9	R429	R429-K431 PolarHBondContact O-N 2.96Å
432	L	96.6	Very high	97.5	Very high	104 Å²	104	50.4 Å²	50.4	55%	0.545	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-97.2	-8.7	177.9	-59.6	-179.6	0	0	0	112.8	A427 R429 A430	A427-L432 HydrophobicContact CB-CB 4.24Å; R429-L432 HydrophobicContact CB-CD1 4.05Å; R429-L432 HydrophobicContact CB-CG 4.07Å; R429-L432 WeakPolarHBondContact O-CB 3.49Å; R429-L432 PolarHBondContact O-N 3.39Å; A430-L432 VanDerWaalsContact C-N 3.26Å; A430-L432 PolarHBondContact O-N 3.26Å
433	R	98.2	Very high	97.4	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.015	26%	0.256	C	S	.	.	S	Bend	trans	-79.1	137.1	179.1	-54.2	178.3	-164.4	141	14.5	109.5	E344 K354 V357 Q424 C425 A427 T428 A430	E344-R433 VanDerWaalsContact CD-NH2 3.34Å; E344-R433 IonicContact OE1-CZ 2.7Å; E344-R433 VanDerWaalsContact OE1-CZ 3.3Å; E344-R433 IonicContact OE1-NH1 2.65Å; E344-R433 PolarHBondContact OE1-NH1 2.82Å; E344-R433 IonicContact OE1-NH2 3.94Å; E344-R433 PolarHBondContact OE1-NH2 3.25Å; E344-R433 IonicContact OE2-CZ 3.06Å; E344-R433 IonicContact OE2-NH1 3.74Å; E344-R433 IonicContact OE2-NH2 3.38Å; E344-R433 PolarHBondContact OE2-NH2 3.25Å; K354-R433 HydrophobicContact CD-CB 4.25Å; K354-R433 PolarHBondContact NZ-O 3.15Å; K354-R433 WeakPolarHBondContact O-CD 3.21Å; K354-R433 PolarHBondContact O-NH1 2.83Å; V357-R433 HydrophobicContact CG1-CB 4.01Å; Q424-R433 WeakPolarHBondContact O-CA 3.3Å; C425-R433 WeakPolarHBondContact O-CD 3.47Å; C425-R433 VanDerWaalsContact O-CG 3.27Å; C425-R433 WeakPolarHBondContact O-CG 3.19Å; A427-R433 HydrophobicContact CB-CG 4.23Å; A427-R433 PolarHBondContact O-NE 2.98Å; A427-R433 PolarHBondContact O-NH2 2.97Å; T428-R433 PolarHBondContact O-NH2 3.49Å; A430-R433 PolarHBondContact O-N 3.1Å
434	P	98.3	Very high	97.3	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.071	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-63.4	168.6	178.9	25.1	-34.6	0	0	0	112.7	K354 V357 L421 E438 V439	K354-P434 PolarHBondContact NZ-O 2.72Å; V357-P434 HydrophobicContact CG1-CG 4.31Å; L421-P434 HydrophobicContact CD1-CG 4.48Å; P434-E438 WeakPolarHBondContact CA-OE2 3.48Å; P434-E438 HydrophobicContact CB-CB 3.9Å; P434-E438 WeakPolarHBondContact CB-OE2 3.29Å; P434-V439 HydrophobicContact CB-CG2 4.05Å; P434-V439 HydrophobicContact CG-CG2 3.58Å
435	S	97.4	Very high	97.2	Very high	33 Å²	33	51.9 Å²	51.9	23%	0.231	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-75.3	159.4	162.4	70.5	0	0	0	0	111	D437 E438 V439	S435-D437 PolarHBondContact O-N 2.88Å; S435-E438 WeakPolarHBondContact CB-OE1 3.37Å; S435-E438 VanDerWaalsContact N-CD 3.27Å; S435-E438 PolarHBondContact N-OE1 3.19Å; S435-E438 PolarHBondContact N-OE2 2.81Å; S435-E438 PolarHBondContact O-N 3.33Å; S435-E438 WeakPolarHBondContact OG-CG 3.37Å; S435-E438 PolarHBondContact OG-N 2.85Å; S435-E438 PolarHBondContact OG-OE1 2.92Å; S435-V439 VanDerWaalsContact O-CG2 3.28Å; S435-V439 WeakPolarHBondContact O-CG2 3.48Å; S435-V439 PolarHBondContact O-N 2.87Å
436	M	97.9	Very high	97	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-19	175.2	-76.1	-55.2	-48	0	0	113.2	I278 H279 H282 V357 F360 V439 L440	I278-M436 HydrophobicContact CB-CE 4.18Å; I278-M436 HydrophobicContact CB-CG 4.46Å; I278-M436 HydrophobicContact CD1-CE 4.3Å; I278-M436 HydrophobicContact CG2-CE 4.38Å; I278-M436 HydrophobicContact CG2-CG 3.81Å; I278-M436 HydrophobicContact CG2-SD 4.17Å; H279-M436 HydrophobicContact CB-CB 4.1Å; H282-M436 WeakPolarHBondContact ND1-CG 3.21Å; V357-M436 HydrophobicContact CB-SD 4.38Å; V357-M436 HydrophobicContact CG2-CG 3.82Å; V357-M436 HydrophobicContact CG2-SD 3.7Å; F360-M436 HydrophobicContact CD1-CE 4.13Å; F360-M436 HydrophobicContact CE1-CE 4.33Å; M436-V439 HydrophobicContact CE-CB 4.11Å; M436-V439 HydrophobicContact CE-CG1 3.82Å; M436-V439 HydrophobicContact SD-CB 4.39Å; M436-V439 HydrophobicContact SD-CG1 4.43Å; M436-V439 HydrophobicContact SD-CG2 4.37Å; M436-L440 WeakPolarHBondContact O-CB 3.25Å; M436-L440 PolarHBondContact O-N 3.44Å
437	D	97.6	Very high	96.8	Very high	75 Å²	75	54.2 Å²	54.2	40%	0.401	28%	0.279	S	S	.	.	H	α-helix	trans	-69.1	-53.4	169.5	-176.3	74.3	0	0	0	111.7	H279 S435 V439 L440 N441	H279-D437 IonicContact CE1-OD1 3.01Å; H279-D437 PolarHBondContact CE1-OD1 3.14Å; H279-D437 IonicContact ND1-OD1 4Å; S435-D437 PolarHBondContact O-N 2.88Å; D437-V439 PolarHBondContact O-N 3.19Å; D437-L440 PolarHBondContact O-N 3.09Å; D437-L440 VanDerWaalsContact O-N 3.09Å; D437-N441 WeakPolarHBondContact O-CB 3.4Å; D437-N441 PolarHBondContact O-N 3.16Å; D437-N441 PolarHBondContact O-ND2 3.47Å; D437-N441 PolarHBondContact OD1-ND2 2.8Å; D437-N441 PolarHBondContact OD2-ND2 2.98Å
438	E	98.2	Very high	96.5	Very high	98 Å²	98	55.5 Å²	55.5	46%	0.458	29%	0.289	S	S	.	.	H	α-helix	trans	-55.2	-40	173.7	-69.6	144.7	-126.7	0	0	111.8	P434 S435 T442	P434-E438 WeakPolarHBondContact CA-OE2 3.48Å; P434-E438 HydrophobicContact CB-CB 3.9Å; P434-E438 WeakPolarHBondContact CB-OE2 3.29Å; S435-E438 WeakPolarHBondContact CB-OE1 3.37Å; S435-E438 VanDerWaalsContact N-CD 3.27Å; S435-E438 PolarHBondContact N-OE1 3.19Å; S435-E438 PolarHBondContact N-OE2 2.81Å; S435-E438 PolarHBondContact O-N 3.33Å; S435-E438 WeakPolarHBondContact OG-CG 3.37Å; S435-E438 PolarHBondContact OG-N 2.85Å; S435-E438 PolarHBondContact OG-OE1 2.92Å; E438-T442 WeakPolarHBondContact O-CB 3.43Å; E438-T442 PolarHBondContact O-N 3.1Å; E438-T442 PolarHBondContact O-OG1 2.83Å
439	V	98.7	Very high	96.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-48.5	175.2	172.1	0	0	0	0	111.4	F360 L421 C425 P434 S435 M436 D437 T442 L443	F360-V439 HydrophobicContact CD1-CG1 3.95Å; F360-V439 HydrophobicContact CE1-CG1 3.56Å; L421-V439 HydrophobicContact CD1-CG2 4.17Å; L421-V439 HydrophobicContact CD2-CG1 4.4Å; C425-V439 VanDerWaalsContact SG-CG2 3.58Å; P434-V439 HydrophobicContact CB-CG2 4.05Å; P434-V439 HydrophobicContact CG-CG2 3.58Å; S435-V439 VanDerWaalsContact O-CG2 3.28Å; S435-V439 WeakPolarHBondContact O-CG2 3.48Å; S435-V439 PolarHBondContact O-N 2.87Å; M436-V439 HydrophobicContact CE-CB 4.11Å; M436-V439 HydrophobicContact CE-CG1 3.82Å; M436-V439 HydrophobicContact SD-CB 4.39Å; M436-V439 HydrophobicContact SD-CG1 4.43Å; M436-V439 HydrophobicContact SD-CG2 4.37Å; D437-V439 PolarHBondContact O-N 3.19Å; V439-T442 PolarHBondContact O-N 2.93Å; V439-L443 HydrophobicContact CG1-CD1 3.93Å; V439-L443 HydrophobicContact CG1-CG 4.48Å; V439-L443 VanDerWaalsContact O-CG 3.29Å; V439-L443 WeakPolarHBondContact O-CG 3.32Å; V439-L443 PolarHBondContact O-N 2.98Å
440	L	98.1	Very high	95.8	Very high	18 Å²	18	46.7 Å²	46.7	9%	0.094	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-51.5	179.2	172.7	56.3	0	0	0	111.4	I272 S275 K276 M436 D437 T442 L443 E444	I272-L440 HydrophobicContact CG2-CD1 4.16Å; S275-L440 WeakPolarHBondContact OG-CD1 3.45Å; K276-L440 HydrophobicContact CD-CD1 4.37Å; K276-L440 HydrophobicContact CG-CD1 3.73Å; K276-L440 HydrophobicContact CG-CD2 3.84Å; K276-L440 HydrophobicContact CG-CG 4.47Å; M436-L440 WeakPolarHBondContact O-CB 3.25Å; M436-L440 PolarHBondContact O-N 3.44Å; D437-L440 PolarHBondContact O-N 3.09Å; D437-L440 VanDerWaalsContact O-N 3.09Å; L440-T442 PolarHBondContact O-N 3.23Å; L440-L443 PolarHBondContact O-N 3.33Å; L440-E444 HydrophobicContact CD1-CG 3.92Å; L440-E444 PolarHBondContact O-N 3.16Å
441	N	97.6	Very high	95	Very high	82 Å²	82	52.1 Å²	52.1	44%	0.439	27%	0.269	S	S	.	.	H	α-helix	trans	-57.8	-36.9	177.4	-72.4	-52.9	0	0	0	112.3	D437 S445	D437-N441 WeakPolarHBondContact O-CB 3.4Å; D437-N441 PolarHBondContact O-N 3.16Å; D437-N441 PolarHBondContact O-ND2 3.47Å; D437-N441 PolarHBondContact OD1-ND2 2.8Å; D437-N441 PolarHBondContact OD2-ND2 2.98Å; N441-S445 WeakPolarHBondContact O-CB 3.41Å; N441-S445 PolarHBondContact O-N 3.29Å; N441-S445 PolarHBondContact O-OG 3.06Å
442	T	98.1	Very high	93.7	Very high	48 Å²	48	50.5 Å²	50.5	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-71	-38	175.2	-54.4	0	0	0	0	112.2	L421 E438 V439 L440 S445 T446	L421-T442 HydrophobicContact CB-CG2 4.37Å; L421-T442 HydrophobicContact CD1-CG2 4.11Å; L421-T442 HydrophobicContact CD2-CG2 3.92Å; L421-T442 HydrophobicContact CG-CG2 4.36Å; E438-T442 WeakPolarHBondContact O-CB 3.43Å; E438-T442 PolarHBondContact O-N 3.1Å; E438-T442 PolarHBondContact O-OG1 2.83Å; V439-T442 PolarHBondContact O-N 2.93Å; L440-T442 PolarHBondContact O-N 3.23Å; T442-S445 PolarHBondContact O-OG 3.34Å; T442-T446 VanDerWaalsContact O-CB 3.22Å; T442-T446 WeakPolarHBondContact O-CB 3.49Å; T442-T446 PolarHBondContact O-N 2.87Å; T442-T446 PolarHBondContact O-OG1 3.27Å
443	L	98.2	Very high	91.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68	-44.7	178.1	-71.7	167.4	0	0	0	112	I268 L271 I272 S275 F360 L418 L421 V439 L440 T446 Q447	I268-L443 HydrophobicContact CD1-CB 4.32Å; I268-L443 HydrophobicContact CD1-CD2 3.67Å; L271-L443 HydrophobicContact CB-CD1 4.23Å; L271-L443 HydrophobicContact CB-CD2 4.08Å; L271-L443 HydrophobicContact CD1-CD2 4.26Å; I272-L443 HydrophobicContact CD1-CB 4.48Å; I272-L443 HydrophobicContact CG1-CB 3.7Å; S275-L443 WeakPolarHBondContact OG-CD1 3.46Å; F360-L443 HydrophobicContact CE1-CD1 3.93Å; F360-L443 HydrophobicContact CZ-CD1 3.94Å; L418-L443 HydrophobicContact CD2-CD2 3.66Å; L421-L443 HydrophobicContact CD2-CD2 3.78Å; L421-L443 HydrophobicContact CD2-CG 3.82Å; V439-L443 HydrophobicContact CG1-CD1 3.93Å; V439-L443 HydrophobicContact CG1-CG 4.48Å; V439-L443 VanDerWaalsContact O-CG 3.29Å; V439-L443 WeakPolarHBondContact O-CG 3.32Å; V439-L443 PolarHBondContact O-N 2.98Å; L440-L443 PolarHBondContact O-N 3.33Å; L443-T446 CarbonylContact O-C 3.58Å; L443-T446 WeakPolarHBondContact O-CB 3.44Å; L443-T446 PolarHBondContact O-N 3.44Å; L443-T446 VanDerWaalsContact O-N 3.16Å; L443-Q447 PolarHBondContact O-N 3.18Å
444	E	96.1	Very high	89.3	Confident	68 Å²	68	55.9 Å²	55.9	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-43.7	-179.3	-65.8	-170.4	138.8	0	0	111.9	I272 K276 L440 T446 Q447 A448	I272-E444 HydrophobicContact CD1-CG 4.04Å; I272-E444 HydrophobicContact CG1-CG 4.16Å; I272-E444 HydrophobicContact CG2-CG 4.01Å; K276-E444 WeakPolarHBondContact CE-OE1 3.35Å; K276-E444 IonicContact NZ-OE1 3.09Å; K276-E444 PolarHBondContact NZ-OE1 3.32Å; L440-E444 HydrophobicContact CD1-CG 3.92Å; L440-E444 PolarHBondContact O-N 3.16Å; E444-T446 PolarHBondContact O-N 2.71Å; E444-Q447 WeakPolarHBondContact O-CB 3.47Å; E444-Q447 PolarHBondContact O-N 2.83Å; E444-Q447 VanDerWaalsContact O-N 3.15Å; E444-A448 PolarHBondContact O-N 3.25Å
445	S	94.9	Very high	87	Confident	65 Å²	65	59.6 Å²	59.6	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-66.7	-21.3	172.5	60.6	0	0	0	0	113.5	N441 T442 S449	N441-S445 WeakPolarHBondContact O-CB 3.41Å; N441-S445 PolarHBondContact O-N 3.29Å; N441-S445 PolarHBondContact O-OG 3.06Å; T442-S445 PolarHBondContact O-OG 3.34Å; S445-S449 PolarHBondContact O-OG 3.34Å
446	T	95.4	Very high	84.7	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-81.1	-33.9	171.2	-58.7	0	0	0	0	112.1	F414 K417 L418 T442 L443 E444 A448 S449 L450	F414-T446 HydrophobicContact CD2-CG2 3.73Å; F414-T446 WeakPolarHBondContact CD2-O 3.3Å; F414-T446 HydrophobicContact CE2-CG2 4.25Å; F414-T446 HydrophobicContact CG-CG2 4.34Å; K417-T446 HydrophobicContact CB-CG2 3.84Å; K417-T446 HydrophobicContact CD-CG2 4.08Å; K417-T446 WeakPolarHBondContact CD-OG1 3.42Å; L418-T446 HydrophobicContact CD1-CG2 4.48Å; L418-T446 HydrophobicContact CD2-CG2 3.78Å; L418-T446 HydrophobicContact CG-CG2 3.81Å; T442-T446 VanDerWaalsContact O-CB 3.22Å; T442-T446 WeakPolarHBondContact O-CB 3.49Å; T442-T446 PolarHBondContact O-N 2.87Å; T442-T446 PolarHBondContact O-OG1 3.27Å; L443-T446 CarbonylContact O-C 3.58Å; L443-T446 WeakPolarHBondContact O-CB 3.44Å; L443-T446 PolarHBondContact O-N 3.44Å; L443-T446 VanDerWaalsContact O-N 3.16Å; E444-T446 PolarHBondContact O-N 2.71Å; T446-A448 VanDerWaalsContact C-N 3.3Å; T446-A448 PolarHBondContact O-N 2.71Å; T446-S449 WeakPolarHBondContact O-CA 3.31Å; T446-S449 VanDerWaalsContact O-CB 3.25Å; T446-S449 WeakPolarHBondContact O-CB 3.39Å; T446-S449 PolarHBondContact O-N 3.25Å; T446-L450 PolarHBondContact O-N 2.92Å
447	Q	94.4	Very high	82.2	Confident	49 Å²	49	65.5 Å²	65.5	23%	0.229	36%	0.355	C	S	.	.	H	α-helix	trans	-59.1	-40.4	173.8	-176.9	177.7	40	0	0	111.8	I268 I272 L443 E444 S449 L450 Y451	I268-Q447 HydrophobicContact CG1-CB 3.89Å; I268-Q447 HydrophobicContact CG1-CG 4.4Å; I268-Q447 HydrophobicContact CG2-CB 4.26Å; I268-Q447 HydrophobicContact CG2-CG 3.88Å; I272-Q447 HydrophobicContact CD1-CB 3.87Å; I272-Q447 HydrophobicContact CD1-CG 4.31Å; L443-Q447 PolarHBondContact O-N 3.18Å; E444-Q447 WeakPolarHBondContact O-CB 3.47Å; E444-Q447 PolarHBondContact O-N 2.83Å; E444-Q447 VanDerWaalsContact O-N 3.15Å; Q447-S449 PolarHBondContact O-N 3.25Å; Q447-L450 VanDerWaalsContact O-CB 3.3Å; Q447-L450 WeakPolarHBondContact O-CB 3.01Å; Q447-L450 PolarHBondContact O-N 3.25Å; Q447-Y451 HydrophobicContact CG-CE2 4.01Å; Q447-Y451 WeakPolarHBondContact O-CD2 3.49Å
448	A	89.4	Confident	79.9	Confident	44 Å²	44	69.1 Å²	69.1	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-57.6	-36.2	172.1	0	0	0	0	0	112.3	E444 T446 L450 Y451 F452	E444-A448 PolarHBondContact O-N 3.25Å; T446-A448 VanDerWaalsContact C-N 3.3Å; T446-A448 PolarHBondContact O-N 2.71Å; A448-L450 PolarHBondContact O-N 3.43Å; A448-L450 VanDerWaalsContact O-N 3.16Å; A448-Y451 PolarHBondContact O-N 2.9Å; A448-F452 HydrophobicContact CB-CD2 4.44Å; A448-F452 VanDerWaalsContact O-CD2 3.32Å; A448-F452 WeakPolarHBondContact O-CD2 3.3Å; A448-F452 PolarHBondContact O-N 3.31Å; A448-F452 VanDerWaalsContact O-N 3.12Å
449	S	87.8	Confident	77.5	Confident	23 Å²	23	67.6 Å²	67.6	16%	0.161	38%	0.38	C	S	.	.	H	α-helix	trans	-72.5	-0.7	178.2	-46	0	0	0	0	114.2	K417 S445 T446 Q447	K417-S449 PolarHBondContact NZ-OG 3.25Å; S445-S449 PolarHBondContact O-OG 3.34Å; T446-S449 WeakPolarHBondContact O-CA 3.31Å; T446-S449 VanDerWaalsContact O-CB 3.25Å; T446-S449 WeakPolarHBondContact O-CB 3.39Å; T446-S449 PolarHBondContact O-N 3.25Å; Q447-S449 PolarHBondContact O-N 3.25Å
450	L	88	Confident	75	Confident	27 Å²	27	74.9 Å²	74.9	14%	0.141	42%	0.419	C	S	.	.	H	α-helix	trans	-90.6	-30.1	171.1	-173.5	60.9	0	0	0	112.3	W264 H265 I268 C410 F414 T446 Q447 A448	W264-L450 HydrophobicContact CB-CD1 4Å; W264-L450 HydrophobicContact CB-CD2 4Å; H265-L450 HydrophobicContact CB-CD2 3.91Å; I268-L450 HydrophobicContact CG2-CD2 4.1Å; C410-L450 HydrophobicContact CB-CD1 4.15Å; F414-L450 HydrophobicContact CD1-CD1 4.28Å; F414-L450 HydrophobicContact CD2-CB 3.73Å; F414-L450 HydrophobicContact CD2-CD1 4.1Å; F414-L450 HydrophobicContact CD2-CG 4.35Å; F414-L450 HydrophobicContact CE1-CD1 4.33Å; F414-L450 HydrophobicContact CE2-CB 3.89Å; F414-L450 HydrophobicContact CE2-CD1 4.14Å; F414-L450 HydrophobicContact CE2-CD2 4.01Å; F414-L450 HydrophobicContact CE2-CG 4.24Å; F414-L450 HydrophobicContact CG-CB 4.48Å; F414-L450 HydrophobicContact CG-CD1 4.16Å; F414-L450 HydrophobicContact CZ-CD1 4.25Å; F414-L450 HydrophobicContact CZ-CD2 4.23Å; T446-L450 PolarHBondContact O-N 2.92Å; Q447-L450 VanDerWaalsContact O-CB 3.3Å; Q447-L450 WeakPolarHBondContact O-CB 3.01Å; Q447-L450 PolarHBondContact O-N 3.25Å; A448-L450 PolarHBondContact O-N 3.43Å; A448-L450 VanDerWaalsContact O-N 3.16Å
451	Y	79.4	Confident	72.6	Confident	142 Å²	142	83.2 Å²	83.2	56%	0.557	45%	0.454	S	S	*	.	H	α-helix	trans	-95	-37.6	-177.1	-62.8	-73.8	0	0	0	112.4	Q447 A448 A453	Q447-Y451 HydrophobicContact CG-CE2 4.01Å; Q447-Y451 WeakPolarHBondContact O-CD2 3.49Å; A448-Y451 PolarHBondContact O-N 2.9Å; Y451-A453 PolarHBondContact O-N 3.33Å; Y451-A453 VanDerWaalsContact O-N 3.16Å
452	F	67.3	Low	70.1	Confident	165 Å²	165	82.6 Å²	82.6	72%	0.724	46%	0.456	S	S	*	.			trans	-83.8	89.2	172.1	-61.5	-67.8	0	0	0	109.4	A448 E454	A448-F452 HydrophobicContact CB-CD2 4.44Å; A448-F452 VanDerWaalsContact O-CD2 3.32Å; A448-F452 WeakPolarHBondContact O-CD2 3.3Å; A448-F452 PolarHBondContact O-N 3.31Å; A448-F452 VanDerWaalsContact O-N 3.12Å; F452-E454 VanDerWaalsContact C-N 3.33Å; F452-E454 PolarHBondContact O-N 3.45Å
453	A	53	Low	67.2	Low	75 Å²	75	88 Å²	88	62%	0.62	48%	0.476	S	S	*	.			trans	-80.2	-3.5	-170.5	0	0	0	0	0	115.4	Y451 D455	Y451-A453 PolarHBondContact O-N 3.33Å; Y451-A453 VanDerWaalsContact O-N 3.16Å; A453-D455 PolarHBondContact O-N 3.03Å
454	E	48.7	Very low	64.7	Low	146 Å²	146	98.6 Å²	98.6	68%	0.682	52%	0.516	S	S	*	.			trans	-83.7	103.9	176.7	-63.2	-159.9	169.3	0	0	111.1	F452	F452-E454 VanDerWaalsContact C-N 3.33Å; F452-E454 PolarHBondContact O-N 3.45Å
455	D	50.8	Low	61.7	Low	89 Å²	89	100.8 Å²	100.8	48%	0.476	54%	0.537	S	S	.	.			trans	-51.5	130.3	150.7	-85.2	-55.1	0	0	0	108.3	N413 A453	N413-D455 PolarHBondContact ND2-OD1 2.96Å; A453-D455 PolarHBondContact O-N 3.03Å
456	P	48.6	Very low	59.1	Low	96 Å²	96	103 Å²	103	62%	0.623	55%	0.55	S	S	*	.			trans	-59.5	137.1	-175.4	23.4	-33.5	0	0	0	110.7	T458	P456-T458 PolarHBondContact O-N 2.99Å
457	P	45.6	Very low	56.4	Low	66 Å²	66	108 Å²	108	43%	0.429	59%	0.585	S	S	.	*			trans	-43.9	106.6	-177.4	-36.9	38.8	0	0	0	114.7	S459 S462	P457-S459 PolarHBondContact O-N 3.22Å; P457-S459 VanDerWaalsContact O-N 3.12Å; P457-S462 VanDerWaalsContact CB-OG 3.3Å; P457-S462 WeakPolarHBondContact CB-OG 3.43Å
458	T	50.4	Low	53.8	Low	151 Å²	151	111.1 Å²	111.1	93%	0.926	61%	0.609	S	S	*	*	S	Bend	trans	-68.5	-5.1	172	45.4	0	0	0	0	112.8	P456	P456-T458 PolarHBondContact O-N 2.99Å
459	S	46.9	Very low	51.6	Low	65 Å²	65	116.2 Å²	116.2	46%	0.455	63%	0.63	S	S	.	*	S	Bend	trans	-155.5	146.9	167.3	-171.8	0	0	0	0	110.7	P457 K461 S462	P457-S459 PolarHBondContact O-N 3.22Å; P457-S459 VanDerWaalsContact O-N 3.12Å; S459-K461 PolarHBondContact O-N 2.93Å; S459-S462 PolarHBondContact O-N 2.74Å; S459-S462 VanDerWaalsContact O-N 3.13Å; S459-S462 PolarHBondContact O-OG 2.71Å
460	L	47.1	Very low	49.4	Very low	154 Å²	154	124.9 Å²	124.9	81%	0.806	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-8.5	172.9	-76.8	168.2	0	0	0	114.6	F463	L460-F463 HydrophobicContact CD2-CE2 4.4Å
461	K	46.9	Very low	47	Very low	193 Å²	193	129.8 Å²	129.8	84%	0.839	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-5.2	178.1	-63.9	-173.2	177.6	-176.9	0	114.8	S459	S459-K461 PolarHBondContact O-N 2.93Å
462	S	45.3	Very low	45.1	Very low	68 Å²	68	131.7 Å²	131.7	48%	0.476	71%	0.705	S	S	.	*			trans	-91.4	8.4	-176.2	75.3	0	0	0	0	115.4	P457 S459 R464	P457-S462 VanDerWaalsContact CB-OG 3.3Å; P457-S462 WeakPolarHBondContact CB-OG 3.43Å; S459-S462 PolarHBondContact O-N 2.74Å; S459-S462 VanDerWaalsContact O-N 3.13Å; S459-S462 PolarHBondContact O-OG 2.71Å; S462-R464 PolarHBondContact O-N 2.88Å
463	F	36.5	Very low	44	Very low	161 Å²	161	131.5 Å²	131.5	71%	0.706	71%	0.711	S	S	*	*			trans	-64.1	104.1	172.4	-79.3	-75.9	0	0	0	111.3	L460	L460-F463 HydrophobicContact CD2-CE2 4.4Å
464	R	46.6	Very low	43.3	Very low	223 Å²	223	133 Å²	133	84%	0.842	71%	0.713	S	S	*	*			trans	-105.7	137.8	148.3	-74.1	-173.5	173.1	-170.5	-1.5	107.4	S462	S462-R464 PolarHBondContact O-N 2.88Å
465	C	33.9	Very low	42.7	Very low	115 Å²	115	131.5 Å²	131.5	78%	0.777	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-63.8	140.5	167.8	-60.5	0	0	0	0	109.4	S467	C465-S467 PolarHBondContact O-N 2.81Å
466	P	39.6	Very low	42	Very low	110 Å²	110	133 Å²	133	71%	0.714	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-56.1	126.8	170	-24.8	34.7	0	0	0	110.2	P468	P466-P468 WeakPolarHBondContact O-CD 3.47Å
467	S	38.7	Very low	41.5	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-74.7	122.4	169.7	-61.3	0	0	0	0	108.4	C465 L469	C465-S467 PolarHBondContact O-N 2.81Å; S467-L469 PolarHBondContact O-N 2.89Å
468	P	39.8	Very low	41.2	Very low	114 Å²	114	137.9 Å²	137.9	74%	0.74	76%	0.755	S	S	*	*			trans	-74.7	94.4	-175.6	29.7	-34.4	0	0	0	110.7	P466	P466-P468 WeakPolarHBondContact O-CD 3.47Å
469	L	43.2	Very low	40.5	Very low	151 Å²	151	136.8 Å²	136.8	79%	0.791	75%	0.748	S	S	*	*			trans	-85.7	133.8	157	-63.4	178.8	0	0	0	108.1	S467	S467-L469 PolarHBondContact O-N 2.89Å
470	F	41.3	Very low	40	Very low	205 Å²	205	142.3 Å²	142.3	90%	0.899	77%	0.766	S	S	*	*	S	Bend	trans	69.7	70	-172.9	-56.7	-80.4	0	0	0	115.9
471	L	38.3	Very low	39.6	Very low	130 Å²	130	142.6 Å²	142.6	68%	0.681	77%	0.768	S	S	*	*			trans	-144.7	44.4	152.9	-130.9	173.6	0	0	0	112.9	V474	L471-V474 HydrophobicContact CD2-CB 4.25Å; L471-V474 HydrophobicContact CD2-CG2 3.86Å
472	E	38.8	Very low	39.1	Very low	182 Å²	182	140.5 Å²	140.5	85%	0.85	77%	0.766	S	S	*	*			trans	-90.4	145.2	157.8	-69.9	-170	143.1	0	0	109.3
473	N	44.8	Very low	38.8	Very low	162 Å²	162	146.4 Å²	146.4	87%	0.866	79%	0.786	S	S	*	*			trans	71.8	55.1	-178.5	-52.4	-45.7	0	0	0	117.1
474	V	36.8	Very low	38.7	Very low	107 Å²	107	143.9 Å²	143.9	65%	0.648	79%	0.789	S	S	*	*			trans	-123	122.1	147.3	-178.5	0	0	0	0	108.2	L471	L471-V474 HydrophobicContact CD2-CB 4.25Å; L471-V474 HydrophobicContact CD2-CG2 3.86Å
475	P	37.2	Very low	38.2	Very low	113 Å²	113	142.8 Å²	142.8	73%	0.734	79%	0.793	S	S	*	*			trans	-65.7	133.9	174.5	-20	32.9	0	0	0	111.2	I477	P475-I477 PolarHBondContact O-N 3.04Å
476	S	35	Very low	38.2	Very low	122 Å²	122	144 Å²	144	85%	0.853	79%	0.792	S	S	*	*			trans	-65.9	112.6	179.8	-47.3	0	0	0	0	111.3
477	I	39.1	Very low	37.8	Very low	151 Å²	151	144.5 Å²	144.5	77%	0.774	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.4	131.2	164.3	-57.2	177	0	0	0	107.1	P475 V479	P475-I477 PolarHBondContact O-N 3.04Å; I477-V479 PolarHBondContact O-N 3.33Å
478	P	38.5	Very low	37.5	Very low	112 Å²	112	146.6 Å²	146.6	73%	0.727	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-62.7	132	171.3	-18.3	31.5	0	0	0	110.2
479	V	37.1	Very low	37	Very low	129 Å²	129	148.8 Å²	148.8	78%	0.782	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-83	123.2	164.7	179.9	0	0	0	0	106.8	I477	I477-V479 PolarHBondContact O-N 3.33Å
480	E	36.3	Very low	36.6	Very low	181 Å²	181	148.9 Å²	148.9	85%	0.846	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-85.3	123.2	166.4	-64.6	-173.5	145.4	0	0	108	D482	E480-D482 PolarHBondContact O-N 2.9Å
481	D	38.3	Very low	36.7	Very low	159 Å²	159	144.7 Å²	144.7	85%	0.85	79%	0.785	S	S	*	*			trans	-76.6	112.6	172	-70.5	-52.5	0	0	0	109.1
482	D	35.6	Very low	36.3	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	79%	0.792	S	S	*	*			trans	-110.6	97.3	177.9	-167.1	23	0	0	0	110.6	E480	E480-D482 PolarHBondContact O-N 2.9Å
483	E	40.3	Very low	35.9	Very low	192 Å²	192	142.3 Å²	142.3	90%	0.897	79%	0.788	S	S	*	*			trans	-80	119.6	173.4	-78.2	-159.9	135.8	0	0	111.3
484	S	34	Very low	35.3	Very low	108 Å²	108	143.2 Å²	143.2	76%	0.755	79%	0.787	S	S	*	*			trans	-138.4	71.5	168.5	72.9	0	0	0	0	113.3
485	Q	36.1	Very low	34.9	Very low	201 Å²	201	141.8 Å²	141.8	94%	0.939	79%	0.794	S	S	*	*			trans	-90.2	140.9	157.4	-70.2	-163.4	11.5	0	0	110.4
486	N	32.6	Very low	34.6	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	80%	0.796	S	S	*	*			trans	-141.6	94.3	-171.5	-154.1	-11.3	0	0	0	112
487	N	32.8	Very low	34.3	Very low	122 Å²	122	147.4 Å²	147.4	65%	0.652	79%	0.792	S	S	*	*			trans	64	147.8	146	-77.1	-47.9	0	0	0	120
488	H	31.5	Very low	33.9	Very low	149 Å²	149	147.5 Å²	147.5	69%	0.69	79%	0.793	S	S	*	*			cis	-147	160.4	1	-78.7	-59.8	0	0	0	110
489	L	29.1	Very low	33.4	Very low	160 Å²	160	148.1 Å²	148.1	84%	0.838	79%	0.79	S	S	*	*				174.1	98.2	117.9	-94.5	167.7	0	0	0	114.7
490	L	34.3	Very low	33	Very low	154 Å²	154	151.6 Å²	151.6	81%	0.806	79%	0.789	S	S	*	*			trans	50.2	162.8	139.5	-95.8	74.9	0	0	0	122.3
491	P	43.8	Very low	32.6	Very low	117 Å²	117	150.8 Å²	150.8	76%	0.76	79%	0.787	S	S	*	*				-134.4	179	-126.8	43.3	-25	0	0	0	116.4
492	S	31.2	Very low	32.4	Very low	119 Å²	119	149 Å²	149	83%	0.832	78%	0.782	S	S	*	*			trans	151.2	140.4	159.4	173.7	0	0	0	0	109
493	D	29.7	Very low	32.1	Very low	142 Å²	142	151.4 Å²	151.4	76%	0.759	79%	0.789	S	S	*	*			cis	-161	179.1	-24.3	-159.9	-0.5	0	0	0	108.1
494	E	31.4	Very low	31.6	Very low	182 Å²	182	151.1 Å²	151.1	85%	0.85	78%	0.784	S	S	*	*			trans	9.9	136.6	169	-62.2	-167.3	133.8	0	0	121.9
495	G	28.7	Very low	31.4	Very low	77 Å²	77	152 Å²	152	79%	0.794	79%	0.786	S	S	*	*			trans	178.5	33.1	171.3	0	0	0	0	0	123.8
496	L	30.7	Very low	32.2	Very low	146 Å²	146	147.5 Å²	147.5	76%	0.764	77%	0.774	S	S	*	*			trans	11.9	120.6	159.8	-66.4	165.5	0	0	0	122.4
497	R	29.8	Very low	31.9	Very low	206 Å²	206	150.2 Å²	150.2	78%	0.777	78%	0.779	S	S	*	*				71.9	136.9	127.5	-69.5	-179.7	176.9	-175.7	0.3	123.6
498	I	30.9	Very low	31.7	Very low	154 Å²	154	152.6 Å²	152.6	79%	0.79	79%	0.786	S	S	*	*			trans	68.9	145.1	137.8	-68.6	169	0	0	0	116.7
499	D	27.5	Very low	31.5	Very low	125 Å²	125	151 Å²	151	67%	0.668	79%	0.791	S	S	*	*			cis	-164.3	-175.2	-24.8	179.5	26.4	0	0	0	105.8
500	R	28.3	Very low	31.5	Very low	202 Å²	202	149 Å²	149	76%	0.762	79%	0.79	S	S	*	*			trans	-14.6	143.3	161.2	-70.4	160	177.3	-158.2	-1.4	116.2
501	M	29.1	Very low	31.3	Very low	163 Å²	163	148.4 Å²	148.4	80%	0.803	78%	0.783	S	S	*	*				-166.3	162	61.7	-162.4	65.6	166.3	0	0	112.8
502	T	33.9	Very low	30.7	Very low	122 Å²	122	148.8 Å²	148.8	75%	0.748	79%	0.789	S	S	*	*			trans	-73.4	146.5	172	37.9	0	0	0	0	113.8
503	Q	29	Very low	30.7	Very low	200 Å²	200	149.9 Å²	149.9	94%	0.935	78%	0.781	S	S	*	*			trans	-139.9	166.3	152.7	-101.4	-174.1	12.5	0	0	111.2
504	K	30.2	Very low	30.7	Very low	185 Å²	185	150.3 Å²	150.3	80%	0.804	79%	0.788	S	S	*	*			trans	-126.2	150.7	-165	-90.7	-171.9	176.3	-177	0	112.5
505	T	29.4	Very low	30.5	Very low	127 Å²	127	148.6 Å²	148.6	78%	0.779	78%	0.782	S	S	*	*			trans	66.2	168.1	151	54.1	0	0	0	0	115.6
506	P	51.6	Low	30.5	Very low	107 Å²	107	153 Å²	153	70%	0.695	78%	0.779	S	S	*	*				-129.1	-171	-83.7	35.3	-15.6	0	0	0	111.2
507	F	27.4	Very low	30.4	Very low	195 Å²	195	151.6 Å²	151.6	86%	0.855	77%	0.772	S	S	*	*			trans	-161.5	173.2	141.2	-107.7	-62.9	0	0	0	112.1
508	E	29.3	Very low	30.2	Very low	172 Å²	172	146.2 Å²	146.2	80%	0.804	77%	0.766	S	S	*	*			trans	-109.2	-169.9	-160.3	-56.2	169.9	106	0	0	113.1
509	C	26.6	Very low	30.1	Very low	115 Å²	115	146.2 Å²	146.2	78%	0.777	77%	0.767	S	S	*	*			trans	86.2	108.3	154.1	-153.8	0	0	0	0	117.9
510	S	29.2	Very low	30.2	Very low	118 Å²	118	146.9 Å²	146.9	83%	0.825	77%	0.77	S	S	*	*				-152	136.5	98.6	-163.7	0	0	0	0	111.6
511	Q	29	Very low	30.2	Very low	142 Å²	142	147.2 Å²	147.2	66%	0.664	78%	0.777	S	S	*	*			trans	-91.4	153.7	166.9	-72.8	167.5	-80.9	0	0	110	E513	Q511-E513 PolarHBondContact NE2-OE1 2.69Å
512	S	31.6	Very low	30.2	Very low	125 Å²	125	148.6 Å²	148.6	87%	0.874	78%	0.779	S	S	*	*			trans	-147.8	92.7	151.4	64.3	0	0	0	0	109.9
513	E	32.1	Very low	31.1	Very low	142 Å²	142	147.8 Å²	147.8	66%	0.664	78%	0.776	S	S	*	*			trans	-86	143.3	173.2	-62.2	169.8	-171	0	0	110.6	Q511	Q511-E513 PolarHBondContact NE2-OE1 2.69Å
514	V	28.8	Very low	31	Very low	151 Å²	151	145.6 Å²	145.6	92%	0.915	77%	0.766	S	S	*	*			trans	-140.4	146.5	140.7	-174.8	0	0	0	0	107.3
515	M	27.5	Very low	31	Very low	147 Å²	147	140.2 Å²	140.2	72%	0.724	75%	0.751	S	S	*	*			trans	-137.7	-175.7	-162.6	-142.2	-166.3	-144.5	0	0	111.6
516	F	28.7	Very low	31.1	Very low	169 Å²	169	142.1 Å²	142.1	74%	0.741	75%	0.749	S	S	*	*			trans	74.3	147.6	161.2	-79	-153.3	0	0	0	118
517	L	27.8	Very low	30.1	Very low	116 Å²	116	146.2 Å²	146.2	61%	0.607	75%	0.751	S	S	*	*			cis	-152.9	138.8	-24	-93.9	176	0	0	0	105.2
518	S	26.1	Very low	30.2	Very low	94 Å²	94	140.8 Å²	140.8	66%	0.657	73%	0.73	S	S	*	*				64	122.9	72.8	-54.3	0	0	0	0	116.6
519	L	28.8	Very low	30.3	Very low	153 Å²	153	139.4 Å²	139.4	80%	0.801	72%	0.724	S	S	*	*				-176.4	112.5	123.1	-112.9	82.3	0	0	0	107.1
520	D	29.8	Very low	30.4	Very low	139 Å²	139	142 Å²	142	74%	0.743	73%	0.725	S	S	*	*				73.5	115	89.1	-88.6	-47.5	0	0	0	117
521	K	28.5	Very low	30.4	Very low	209 Å²	209	141 Å²	141	91%	0.909	72%	0.723	S	S	*	*				-165.2	151.7	110.7	-105.2	166	-174.5	175.3	0	114.8
522	K	28.3	Very low	30.4	Very low	192 Å²	192	139.5 Å²	139.5	84%	0.835	73%	0.727	S	S	*	*			trans	-126.9	-174.2	178.7	-125.5	179.6	-174.7	176.9	0	106.4
523	P	52.9	Low	30.3	Very low	106 Å²	106	141.3 Å²	141.3	69%	0.688	73%	0.727	S	S	*	*			cis	-137.4	-147	-13.4	36.2	-12.7	0	0	0	112.5
524	E	27.5	Very low	30.3	Very low	154 Å²	154	142.5 Å²	142.5	72%	0.72	74%	0.735	S	S	*	*			trans	96.7	135.5	161.2	-64.8	-121.4	99.6	0	0	117.7	K526	E524-K526 IonicContact OE1-NZ 2.78Å; E524-K526 PolarHBondContact OE1-NZ 3.04Å
525	S	29.9	Very low	30.6	Very low	72 Å²	72	140.9 Å²	140.9	50%	0.503	73%	0.727	S	S	.	*			cis	-166.5	129.4	-0.4	145.4	0	0	0	0	115.9
526	K	31.9	Very low	30.7	Very low	167 Å²	167	139.1 Å²	139.1	73%	0.726	73%	0.729	S	S	*	*			trans	66	163.9	145.2	-58.3	172.7	-159.6	89.5	0	117.9	E524	E524-K526 IonicContact OE1-NZ 2.78Å; E524-K526 PolarHBondContact OE1-NZ 3.04Å
527	R	31	Very low	30.6	Very low	193 Å²	193	136.4 Å²	136.4	73%	0.728	73%	0.731	S	S	*	*			cis	-177.4	159.1	-25.3	177	173.4	178.1	-156.6	-14	105.9	E529	R527-E529 WeakPolarHBondContact CG-OE2 3.36Å; R527-E529 IonicContact NE-OE2 3.82Å
528	N	29	Very low	30.6	Very low	80 Å²	80	135.5 Å²	135.5	43%	0.428	74%	0.735	S	S	.	*			cis	-104.7	-176.8	2.2	-137.8	53.2	0	0	0	108.7	E530	N528-E530 PolarHBondContact ND2-OE1 2.67Å
529	E	32.2	Very low	30.6	Very low	144 Å²	144	140.3 Å²	140.3	67%	0.673	74%	0.739	S	S	*	*			cis	84.1	152.2	9.4	-60.6	149.2	109.3	0	0	117.8	R527	R527-E529 WeakPolarHBondContact CG-OE2 3.36Å; R527-E529 IonicContact NE-OE2 3.82Å
530	E	28.7	Very low	30.5	Very low	169 Å²	169	139.9 Å²	139.9	79%	0.79	73%	0.733	S	S	*	*			trans	71.7	139.6	-178.4	-64.3	168.5	-124.2	0	0	118.4	N528	N528-E530 PolarHBondContact ND2-OE1 2.67Å
531	A	29.2	Very low	30.4	Very low	96 Å²	96	142.5 Å²	142.5	79%	0.793	74%	0.74	S	S	*	*			cis	-160.3	169	-19.2	0	0	0	0	0	111.2
532	C	27.7	Very low	30.3	Very low	111 Å²	111	137.1 Å²	137.1	75%	0.75	73%	0.729	S	S	*	*			trans	-80.1	155.5	-172.4	-47.4	0	0	0	0	115.3
533	N	29.1	Very low	30.1	Very low	163 Å²	163	139.9 Å²	139.9	87%	0.872	74%	0.735	S	S	*	*				176.1	172.8	107.4	-94	-55	0	0	0	116.4
534	M	32.7	Very low	28.9	Very low	168 Å²	168	144 Å²	144	83%	0.828	74%	0.742	S	S	*	*			trans	-64.3	155	-174.7	-68.5	-79.9	-73.5	0	0	116
535	P	34.9	Very low	29.3	Very low	117 Å²	117	142.4 Å²	142.4	76%	0.76	75%	0.745	S	S	*	*			trans	-92.9	147.1	166.9	36.4	-32.4	0	0	0	113.3
536	S	29.3	Very low	29.2	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	76%	0.763	S	S	*	*			trans	-149.4	136.7	166.9	56.5	0	0	0	0	111.2
537	S	27.8	Very low	29	Very low	112 Å²	112	149.8 Å²	149.8	78%	0.783	77%	0.768	S	S	*	*			trans	17.2	135.2	157.2	63.9	0	0	0	0	119.3
538	S	26.8	Very low	28.7	Very low	98 Å²	98	148.5 Å²	148.5	69%	0.685	77%	0.774	S	S	*	*				178.3	160.9	52.9	64.8	0	0	0	0	114.4
539	R	26.4	Very low	28.6	Very low	195 Å²	195	150.9 Å²	150.9	74%	0.736	79%	0.791	S	S	*	*			trans	68	127.6	152.8	-68.2	-175.6	110.4	139.9	11.1	117.8
540	E	27.3	Very low	28.9	Very low	144 Å²	144	149.4 Å²	149.4	67%	0.673	79%	0.794	S	S	*	*				70.1	137	102.6	-60.2	164.3	-174.5	0	0	112.7
541	E	26.6	Very low	28.8	Very low	193 Å²	193	145.9 Å²	145.9	90%	0.902	79%	0.789	S	S	*	*			cis	-130.1	179.5	23.6	-68.5	-174.9	112	0	0	115.5
542	S	26.4	Very low	28.9	Very low	97 Å²	97	149.8 Å²	149.8	68%	0.678	79%	0.79	S	S	*	*			trans	-86.2	169.5	-175.6	67.2	0	0	0	0	115.5
543	W	23.8	Very low	28.9	Very low	250 Å²	250	150.7 Å²	150.7	95%	0.947	79%	0.787	S	S	*	*				-163	149.7	127.2	-107.8	28.6	0	0	0	113.6
544	F	29.3	Very low	28.8	Very low	191 Å²	191	150.4 Å²	150.4	84%	0.838	79%	0.785	S	S	*	*			trans	-137.1	154.3	172.9	-80.9	-86.4	0	0	0	109
545	P	35.3	Very low	28.6	Very low	122 Å²	122	152.2 Å²	152.2	79%	0.792	78%	0.783	S	S	*	*				-134.5	128.3	127.2	34.3	-23.3	0	0	0	111.1
546	K	27.5	Very low	28.7	Very low	200 Å²	200	152.9 Å²	152.9	87%	0.87	79%	0.787	S	S	*	*				70.7	116.1	61.3	-76.7	-163.5	173.5	-178.4	0	115.7
547	F	27.7	Very low	28.6	Very low	194 Å²	194	155.4 Å²	155.4	85%	0.851	79%	0.785	S	S	*	*			trans	-70.9	163.1	166.4	-83.1	-104.7	0	0	0	113.1
548	I	24.5	Very low	28.5	Very low	165 Å²	165	160 Å²	160	85%	0.846	79%	0.791	S	S	*	*			trans	-166.2	154.3	137.7	-101.6	152.1	0	0	0	109.9
549	V	28.1	Very low	28.5	Very low	130 Å²	130	160.2 Å²	160.2	79%	0.788	79%	0.787	S	S	*	*			trans	-139	132.6	-179.9	170.9	0	0	0	0	110.8
550	P	37.5	Very low	28.6	Very low	113 Å²	113	157.6 Å²	157.6	73%	0.734	79%	0.788	S	S	*	*			trans	-147.8	178.5	134.3	39.4	-24.7	0	0	0	113.7
551	S	27.8	Very low	28.6	Very low	96 Å²	96	158.4 Å²	158.4	67%	0.671	79%	0.794	S	S	*	*			cis	-174.1	135.8	-45.2	-170	0	0	0	0	109.9
552	Q	29.9	Very low	28.7	Very low	178 Å²	178	156.2 Å²	156.2	83%	0.832	79%	0.788	S	S	*	*			trans	62.1	161.7	171	-66.1	171.8	-42.2	0	0	115.6
553	D	27.5	Very low	29.4	Very low	129 Å²	129	157.7 Å²	157.7	69%	0.69	80%	0.796	S	S	*	*			cis	-154.1	176.4	4.1	-145.2	-20	0	0	0	113.8
554	L	28	Very low	29.6	Very low	158 Å²	158	150.8 Å²	150.8	83%	0.827	79%	0.785	S	S	*	*			trans	77.1	145.9	154.1	-69.3	166.1	0	0	0	122.4
555	R	29	Very low	29.7	Very low	206 Å²	206	147.1 Å²	147.1	78%	0.777	78%	0.784	S	S	*	*			trans	-100.9	175.3	171.7	-54.3	179.4	-176.7	174.8	0.6	110.8
556	P	36	Very low	29.3	Very low	130 Å²	130	150.5 Å²	150.5	84%	0.844	79%	0.789	S	S	*	*				-145.5	178.5	96.4	37.3	-20.7	0	0	0	116.5
557	F	26.9	Very low	29.4	Very low	162 Å²	162	145.4 Å²	145.4	71%	0.711	78%	0.784	S	S	*	*			trans	-73.1	160	-175	-76.8	-111.5	0	0	0	115.9	V559	F557-V559 HydrophobicContact CD1-CG2 4.14Å
558	K	25.7	Very low	30.1	Very low	210 Å²	210	142.4 Å²	142.4	91%	0.913	78%	0.784	S	S	*	*				-148.7	161.8	129.4	-125.6	175.1	-176.8	179.7	0	112.3
559	V	27.3	Very low	30.3	Very low	101 Å²	101	137.6 Å²	137.6	61%	0.612	77%	0.774	S	S	*	*			trans	-150.3	157.3	-160.4	160.9	0	0	0	0	110.1	F557	F557-V559 HydrophobicContact CD1-CG2 4.14Å
560	N	27.6	Very low	30.4	Very low	140 Å²	140	140.4 Å²	140.4	75%	0.749	78%	0.779	S	S	*	*			trans	71.7	153.8	171.9	-75.8	-1.2	0	0	0	116.9
561	M	28.2	Very low	29.9	Very low	162 Å²	162	140.3 Å²	140.3	80%	0.798	78%	0.781	S	S	*	*			cis	-152	169	4.4	-117.8	-118	-176.6	0	0	111.4
562	D	28.8	Very low	29.9	Very low	146 Å²	146	142 Å²	142	78%	0.781	79%	0.791	S	S	*	*			trans	-70	170.5	166.5	-64	-62.4	0	0	0	112.6
563	P	40.3	Very low	29.9	Very low	129 Å²	129	144.8 Å²	144.8	84%	0.838	79%	0.794	S	S	*	*				-143.1	171.2	104.7	39.8	-27.1	0	0	0	115.5
564	S	29.4	Very low	30.1	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	80%	0.802	S	S	*	*			trans	-108.9	164.1	-177.5	58.2	0	0	0	0	114.4
565	S	29.7	Very low	30.3	Very low	114 Å²	114	147.6 Å²	147.6	80%	0.797	80%	0.803	S	S	*	*			trans	65.9	146.1	170	64.6	0	0	0	0	115.8
566	E	27.9	Very low	30.7	Very low	193 Å²	193	143.6 Å²	143.6	90%	0.902	80%	0.803	S	S	*	*			cis	-135.9	-169.2	23	-66.1	179.8	116.1	0	0	113.7
567	A	30.2	Very low	30.3	Very low	92 Å²	92	143 Å²	143	76%	0.76	80%	0.797	S	S	*	*			trans	-110.8	-171.2	173.3	0	0	0	0	0	109.8
568	P	42.6	Very low	30.5	Very low	132 Å²	132	144.3 Å²	144.3	86%	0.857	81%	0.805	S	S	*	*			cis	-135.2	-175.3	-3.1	43.3	-26.4	0	0	0	115
569	G	27.4	Very low	30.7	Very low	63 Å²	63	140.2 Å²	140.2	65%	0.649	80%	0.803	S	S	*	*			trans	146.4	124	150.1	0	0	0	0	0	119.7
570	H	30.2	Very low	30.8	Very low	190 Å²	190	140.8 Å²	140.8	88%	0.88	81%	0.812	S	S	*	*			trans	52	101.5	147.5	-62	-78.9	0	0	0	122.7
571	S	28.6	Very low	30.7	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	82%	0.815	S	S	*	*				40.7	115.9	113.4	173.9	0	0	0	0	120.2
572	C	27.5	Very low	30.7	Very low	131 Å²	131	137.4 Å²	137.4	89%	0.885	81%	0.813	S	S	*	*				-158.2	170	110.1	-132.2	0	0	0	0	113.8
573	R	28.8	Very low	30.7	Very low	238 Å²	238	136.3 Å²	136.3	90%	0.898	82%	0.817	S	S	*	*			trans	-123.5	128.5	-168.2	178.6	-171.6	-172.7	-176.2	5	111.1
574	S	31.9	Very low	30.3	Very low	123 Å²	123	139 Å²	139	86%	0.86	82%	0.816	S	S	*	*			trans	-132.7	155.3	179.3	-70.7	0	0	0	0	113.3
575	R	32.8	Very low	30.2	Very low	223 Å²	223	143.7 Å²	143.7	84%	0.842	82%	0.823	S	S	*	*			trans	-91.2	169.1	-178.2	-62.3	174.9	171.7	161.4	-6	111.8	V577	R575-V577 HydrophobicContact CB-CG2 4.23Å
576	P	36.3	Very low	30.1	Very low	122 Å²	122	143 Å²	143	79%	0.792	82%	0.819	S	S	*	*				-118.7	140.7	85.8	35.1	-31.8	0	0	0	111.7
577	V	28.9	Very low	30.1	Very low	118 Å²	118	144.3 Å²	144.3	72%	0.715	82%	0.815	S	S	*	*				73.8	105.2	58.5	178.3	0	0	0	0	111.6	R575	R575-V577 HydrophobicContact CB-CG2 4.23Å
578	E	30.4	Very low	30	Very low	188 Å²	188	147.8 Å²	147.8	88%	0.879	82%	0.821	S	S	*	*			trans	-92.3	162.6	175.9	-57.4	168.2	125.8	0	0	111.1
579	S	29.8	Very low	29.6	Very low	125 Å²	125	149.3 Å²	149.3	87%	0.874	82%	0.817	S	S	*	*			trans	-133.2	134.1	161.4	59.7	0	0	0	0	109.2
580	S	30.1	Very low	29.7	Very low	112 Å²	112	157.8 Å²	157.8	78%	0.783	83%	0.831	S	S	*	*			trans	-133.3	139.2	-160.3	52.1	0	0	0	0	114.5
581	C	25.5	Very low	30	Very low	122 Å²	122	155.8 Å²	155.8	82%	0.824	82%	0.822	S	S	*	*			trans	-172.8	108.2	152.2	-94.4	0	0	0	0	105.9
582	S	28.7	Very low	30.3	Very low	109 Å²	109	157.8 Å²	157.8	76%	0.762	82%	0.819	S	S	*	*			cis	74.8	105	47.6	88	0	0	0	0	115.1
583	S	28.6	Very low	30.8	Very low	123 Å²	123	159.8 Å²	159.8	86%	0.86	82%	0.815	S	S	*	*			trans	-138.1	146.5	130.6	59.9	0	0	0	0	108.3
584	K	31.5	Very low	31.1	Very low	185 Å²	185	157.7 Å²	157.7	80%	0.804	81%	0.813	S	S	*	*			trans	-95.2	163	-177.7	-54.5	174.6	179.7	177.2	0	109.6
585	F	27.5	Very low	31.7	Very low	205 Å²	205	161.3 Å²	161.3	90%	0.899	81%	0.813	S	S	*	*				-157.3	164.6	101.2	-108.2	-74.5	0	0	0	111
586	S	27.9	Very low	32.1	Very low	100 Å²	100	163.5 Å²	163.5	70%	0.699	83%	0.833	S	S	*	*			trans	-97.6	167.5	-166.8	52.2	0	0	0	0	113.7
587	W	27.9	Very low	31.9	Very low	219 Å²	219	165.6 Å²	165.6	83%	0.83	84%	0.835	S	S	*	*			trans	-68.1	160.2	160.9	-67.5	56.6	0	0	0	110.7
588	D	28.4	Very low	32.1	Very low	165 Å²	165	168.1 Å²	168.1	88%	0.882	84%	0.841	S	S	*	*			trans	-150.7	143.4	136.4	-93.8	-41.1	0	0	0	108.3
589	E	33.8	Very low	32.2	Very low	164 Å²	164	166.9 Å²	166.9	77%	0.766	84%	0.839	S	S	*	*			trans	-94.9	143.8	173.5	-63.8	178.2	122.2	0	0	109.8
590	Y	29.2	Very low	32.3	Very low	242 Å²	242	169.4 Å²	169.4	95%	0.949	84%	0.837	S	S	*	*			trans	-150	138.7	157.4	-119.1	-81.9	0	0	0	110.8
591	E	36.2	Very low	32.5	Very low	148 Å²	148	173 Å²	173	69%	0.692	84%	0.84	S	S	*	*			trans	-107.7	174	-174.1	-145.4	-142.2	-125.8	0	0	112.6
592	Q	35.3	Very low	33	Very low	152 Å²	152	176.4 Å²	176.4	71%	0.71	84%	0.841	S	S	*	*			trans	93.4	101.6	146.6	-136.3	156.6	96.3	0	0	121
593	H	37.3	Very low	33.3	Very low	172 Å²	172	181.2 Å²	181.2	80%	0.796	85%	0.847	S	S	*	*			trans	47.9	118.4	140.2	-67.4	-48	0	0	0	123.8
594	K	34.8	Very low	33.6	Very low	195 Å²	195	185.7 Å²	185.7	85%	0.848	85%	0.846	S	S	*	*				-161.1	134.4	112.4	-98.6	172.1	-174.8	176.7	0	108.2
595	K	44.1	Very low	33.8	Very low	198 Å²	198	185.8 Å²	185.8	86%	0.861	85%	0.849	S	S	*	*				47.8	98.1	85	-85.1	-162.4	174.2	-169	0	113.8
596	E	43	Very low	34.4	Very low	269 Å²	269	184 Å²	184	100%	1.257	85%	0.845	S	S	*	*				-137.6	0	93.2	-97.6	173.3	177.8	0	0	109.8

Retrieved 596 of 596 residues in 142.3 ms (Link to these results)

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