A0A096NDG9_PAPAN Loading...

Zinc finger and BTB domain-containing protein 7C

May be a tumor suppressor gene.

AlphaFold DB (A0A2K6BW60), UniProt , Accession A0A096NDG9, Species PAPAN (Papio anubis, Olive baboon), Gene ZBTB7C, Length 620 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39.8	Very low	58.7	Low	248 Å²	248	143.5 Å²	143.5	100%	1.222	79%	0.79	S	S	*	*				0	86.5	0	-71.7	-170.5	169.9	0	0	107.7
2	A	46	Very low	60.5	Low	82 Å²	82	141 Å²	141	68%	0.678	79%	0.786	S	S	*	*			trans	176	49.8	165.1	0	0	0	0	0	110
3	N	45.3	Very low	62.4	Low	150 Å²	150	141.7 Å²	141.7	80%	0.802	78%	0.776	S	S	*	*	S	Bend	trans	-113.9	10.1	177.3	-81.2	14.2	0	0	0	113.4
4	D	50.8	Low	63.7	Low	153 Å²	153	138.7 Å²	138.7	82%	0.818	77%	0.767	S	S	*	*			trans	-137.5	42	-176.1	-63.2	-52.7	0	0	0	112.7
5	I	58.2	Low	65.1	Low	129 Å²	129	136.1 Å²	136.1	66%	0.662	75%	0.752	S	S	*	*			trans	-121.2	74.8	167	-47.3	176.3	0	0	0	107.4	E7 L8	I5-E7 PolarHBondContact O-N 3.33Å; I5-L8 HydrophobicContact CG2-CD1 4.36Å
6	D	56.3	Low	66.5	Low	159 Å²	159	134.8 Å²	134.8	85%	0.85	74%	0.738	S	S	*	*			trans	-79.2	17.2	-179.7	-85.2	-21.1	0	0	0	114
7	E	60.8	Low	67.8	Low	164 Å²	164	130.5 Å²	130.5	77%	0.766	72%	0.72	S	S	*	*			trans	-137.7	67.8	175.2	-70.3	-173.1	166.7	0	0	111.5	I5 I9	I5-E7 PolarHBondContact O-N 3.33Å; E7-I9 PolarHBondContact O-N 3.45Å
8	L	62.7	Low	68.8	Low	159 Å²	159	126.5 Å²	126.5	83%	0.832	70%	0.703	S	S	*	*			trans	-74.4	101.1	162.1	-121	77.2	0	0	0	108.6	I5 G10	I5-L8 HydrophobicContact CG2-CD1 4.36Å; L8-G10 PolarHBondContact O-N 2.99Å
9	I	71.9	Confident	69.9	Low	144 Å²	144	126.2 Å²	126.2	74%	0.738	70%	0.695	S	S	*	*			trans	-77.6	106.5	174.1	-58.5	173.1	0	0	0	108.2	E7 I11	E7-I9 PolarHBondContact O-N 3.45Å; I9-I11 HydrophobicContact CG2-CG1 4.49Å
10	G	73.1	Confident	71	Confident	67 Å²	67	123 Å²	123	69%	0.691	68%	0.679	S	S	*	*			trans	-75.3	122.6	167	0	0	0	0	0	110.1	L8 P12	L8-G10 PolarHBondContact O-N 2.99Å; G10-P12 VanDerWaalsContact O-CD 3.29Å; G10-P12 WeakPolarHBondContact O-CD 3.39Å
11	I	80.9	Confident	71.9	Confident	123 Å²	123	118.9 Å²	118.9	63%	0.631	66%	0.656	S	S	*	*			trans	-95.5	106.6	174.9	-57.5	173.8	0	0	0	107.7	I9 F13	I9-I11 HydrophobicContact CG2-CG1 4.49Å; I11-F13 HydrophobicContact CB-CE2 4.45Å; I11-F13 HydrophobicContact CG2-CE2 4.22Å; I11-F13 HydrophobicContact CG2-CZ 4.09Å; I11-F13 WeakPolarHBondContact O-CD2 3.48Å
12	P	80.4	Confident	74.3	Confident	114 Å²	114	110.5 Å²	110.5	74%	0.74	62%	0.621	S	S	*	*			trans	-75.7	131.4	176.3	30.6	-33	0	0	0	110.1	G10 P14	G10-P12 VanDerWaalsContact O-CD 3.29Å; G10-P12 WeakPolarHBondContact O-CD 3.39Å; P12-P14 VanDerWaalsContact O-CD 3.31Å; P12-P14 WeakPolarHBondContact O-CD 3.18Å
13	F	85	Confident	76.4	Confident	150 Å²	150	109.1 Å²	109.1	66%	0.658	61%	0.606	S	S	*	*			trans	-102.9	96.1	171.2	-65.2	-85.6	0	0	0	108.6	I11 N15 H16	I11-F13 HydrophobicContact CB-CE2 4.45Å; I11-F13 HydrophobicContact CG2-CE2 4.22Å; I11-F13 HydrophobicContact CG2-CZ 4.09Å; I11-F13 WeakPolarHBondContact O-CD2 3.48Å; F13-N15 PolarHBondContact O-N 3.15Å; F13-H16 HydrophobicContact CB-CB 3.64Å; F13-H16 WeakPolarHBondContact O-CB 3.46Å; F13-H16 PolarHBondContact O-N 2.96Å; F13-H16 VanDerWaalsContact O-N 3.13Å
14	P	80.1	Confident	78.7	Confident	100 Å²	100	103.8 Å²	103.8	65%	0.649	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-28.1	-171.4	22.6	-33.2	0	0	0	113.6	P12	P12-P14 VanDerWaalsContact O-CD 3.31Å; P12-P14 WeakPolarHBondContact O-CD 3.18Å
15	N	84.8	Confident	80.6	Confident	100 Å²	100	97.9 Å²	97.9	54%	0.535	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-3	-178.6	-61.6	-6.7	0	0	0	113.6	F13 S17 S18 E19	F13-N15 PolarHBondContact O-N 3.15Å; N15-S17 VanDerWaalsContact C-N 3.31Å; N15-S17 PolarHBondContact O-N 2.86Å; N15-S18 PolarHBondContact O-N 3.35Å; N15-S18 PolarHBondContact O-OG 2.94Å; N15-E19 WeakPolarHBondContact O-CG 3.27Å; N15-E19 PolarHBondContact O-N 3.37Å
16	H	88.3	Confident	82.1	Confident	114 Å²	114	97.1 Å²	97.1	53%	0.528	54%	0.54	S	S	.	.	H	α-helix	trans	-62.3	-40.5	-173.7	178.4	56.6	0	0	0	111.8	F13 E19 V20	F13-H16 HydrophobicContact CB-CB 3.64Å; F13-H16 WeakPolarHBondContact O-CB 3.46Å; F13-H16 PolarHBondContact O-N 2.96Å; F13-H16 VanDerWaalsContact O-N 3.13Å; H16-E19 PolarHBondContact O-N 3.13Å; H16-V20 WeakPolarHBondContact O-CB 3.32Å; H16-V20 WeakPolarHBondContact O-CG2 3.31Å; H16-V20 PolarHBondContact O-N 3.41Å
17	S	87.9	Confident	83.8	Confident	63 Å²	63	92.5 Å²	92.5	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-67.1	-38.2	178.5	50.1	0	0	0	0	113.2	N15 V20 L21	N15-S17 VanDerWaalsContact C-N 3.31Å; N15-S17 PolarHBondContact O-N 2.86Å; S17-V20 PolarHBondContact O-N 3.41Å; S17-L21 WeakPolarHBondContact O-CB 3.37Å; S17-L21 WeakPolarHBondContact O-CG 3.4Å; S17-L21 PolarHBondContact O-N 2.86Å
18	S	86.4	Confident	85.2	Confident	58 Å²	58	86.3 Å²	86.3	41%	0.406	48%	0.483	S	S	.	.	H	α-helix	trans	-69.5	-38.5	177.2	48.8	0	0	0	0	112.1	N15 L21 C22	N15-S18 PolarHBondContact O-N 3.35Å; N15-S18 PolarHBondContact O-OG 2.94Å; S18-L21 PolarHBondContact O-N 3.31Å; S18-C22 WeakPolarHBondContact O-CB 3.38Å; S18-C22 PolarHBondContact O-N 3.02Å
19	E	89.6	Confident	86.4	Confident	120 Å²	120	85.2 Å²	85.2	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-63.7	-43.8	174	-72.1	173.2	-169	0	0	111.1	N15 H16 L21 C22 S23	N15-E19 WeakPolarHBondContact O-CG 3.27Å; N15-E19 PolarHBondContact O-N 3.37Å; H16-E19 PolarHBondContact O-N 3.13Å; E19-L21 PolarHBondContact O-N 3.03Å; E19-C22 WeakPolarHBondContact O-CB 3.42Å; E19-C22 PolarHBondContact O-N 3.29Å; E19-S23 PolarHBondContact O-N 3.29Å; E19-S23 PolarHBondContact O-OG 3.08Å
20	V	92.1	Very high	87.1	Confident	62 Å²	62	84.1 Å²	84.1	38%	0.376	47%	0.469	S	S	.	.	H	α-helix	trans	-62.2	-43.9	177	169.9	0	0	0	0	111.6	H16 S17 S23 L24	H16-V20 WeakPolarHBondContact O-CB 3.32Å; H16-V20 WeakPolarHBondContact O-CG2 3.31Å; H16-V20 PolarHBondContact O-N 3.41Å; S17-V20 PolarHBondContact O-N 3.41Å; V20-S23 PolarHBondContact O-N 2.86Å; V20-L24 HydrophobicContact CG1-CD1 3.88Å; V20-L24 HydrophobicContact CG1-CG 4.43Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.5Å; V20-L24 PolarHBondContact O-N 3.41Å
21	L	90.4	Very high	87.6	Confident	38 Å²	38	82.3 Å²	82.3	20%	0.199	45%	0.45	C	S	.	.	H	α-helix	trans	-63.9	-40.9	177	-78.1	175.4	0	0	0	112.1	S17 S18 E19 L24 N25 Y93 I228	S17-L21 WeakPolarHBondContact O-CB 3.37Å; S17-L21 WeakPolarHBondContact O-CG 3.4Å; S17-L21 PolarHBondContact O-N 2.86Å; S18-L21 PolarHBondContact O-N 3.31Å; E19-L21 PolarHBondContact O-N 3.03Å; L21-L24 PolarHBondContact O-N 2.89Å; L21-N25 PolarHBondContact O-N 3.35Å; L21-Y93 WeakPolarHBondContact CB-O 3.45Å; L21-I228 HydrophobicContact CD1-CD1 4.45Å
22	C	89.3	Confident	87.7	Confident	71 Å²	71	81 Å²	81	48%	0.48	44%	0.444	S	S	.	.	H	α-helix	trans	-59.4	-49.7	174.9	-173	0	0	0	0	111.4	S18 E19 L24 N25 E26	S18-C22 WeakPolarHBondContact O-CB 3.38Å; S18-C22 PolarHBondContact O-N 3.02Å; E19-C22 WeakPolarHBondContact O-CB 3.42Å; E19-C22 PolarHBondContact O-N 3.29Å; C22-L24 VanDerWaalsContact C-N 3.33Å; C22-L24 PolarHBondContact O-N 2.94Å; C22-N25 WeakPolarHBondContact O-CB 3.47Å; C22-N25 PolarHBondContact O-N 2.91Å; C22-N25 VanDerWaalsContact O-N 3.1Å; C22-E26 PolarHBondContact O-N 3.26Å
23	S	91	Very high	87.9	Confident	53 Å²	53	82.2 Å²	82.2	37%	0.371	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-35.3	176.2	-61.3	0	0	0	0	113.3	E19 V20 N25 E26 Q27	E19-S23 PolarHBondContact O-N 3.29Å; E19-S23 PolarHBondContact O-OG 3.08Å; V20-S23 PolarHBondContact O-N 2.86Å; S23-N25 VanDerWaalsContact C-N 3.32Å; S23-E26 PolarHBondContact O-N 3.25Å; S23-Q27 WeakPolarHBondContact O-CG 3.08Å; S23-Q27 PolarHBondContact O-N 2.86Å
24	L	91.9	Very high	88	Confident	38 Å²	38	76.6 Å²	76.6	20%	0.199	42%	0.423	C	S	.	.	H	α-helix	trans	-68.1	-33.1	174.4	-74.9	168.8	0	0	0	112	V20 L21 C22 R28 V51 Y93	V20-L24 HydrophobicContact CG1-CD1 3.88Å; V20-L24 HydrophobicContact CG1-CG 4.43Å; V20-L24 WeakPolarHBondContact O-CB 3.35Å; V20-L24 VanDerWaalsContact O-CG 3.28Å; V20-L24 WeakPolarHBondContact O-CG 3.5Å; V20-L24 PolarHBondContact O-N 3.41Å; L21-L24 PolarHBondContact O-N 2.89Å; C22-L24 VanDerWaalsContact C-N 3.33Å; C22-L24 PolarHBondContact O-N 2.94Å; L24-R28 WeakPolarHBondContact O-CB 3.3Å; L24-R28 PolarHBondContact O-N 2.95Å; L24-V51 HydrophobicContact CD1-CG2 3.97Å; L24-Y93 HydrophobicContact CB-CD1 4.15Å; L24-Y93 HydrophobicContact CB-CE1 4.22Å
25	N	91.2	Very high	88.2	Confident	30 Å²	30	74.8 Å²	74.8	16%	0.16	41%	0.407	C	S	.	.	H	α-helix	trans	-68.6	-42.9	175.3	-164	44.8	0	0	0	111.3	L21 C22 S23 Q27 R28 H29 Y93	L21-N25 PolarHBondContact O-N 3.35Å; C22-N25 WeakPolarHBondContact O-CB 3.47Å; C22-N25 PolarHBondContact O-N 2.91Å; C22-N25 VanDerWaalsContact O-N 3.1Å; S23-N25 VanDerWaalsContact C-N 3.32Å; N25-Q27 PolarHBondContact O-N 3.32Å; N25-R28 WeakPolarHBondContact O-CB 3.35Å; N25-R28 PolarHBondContact O-N 3.2Å; N25-H29 PolarHBondContact O-CD2 3.44Å; N25-H29 PolarHBondContact O-N 3.15Å; N25-Y93 HydrophobicContact CB-CD1 4.26Å; N25-Y93 WeakPolarHBondContact OD1-CB 3.14Å
26	E	90.8	Very high	88.5	Confident	113 Å²	113	70.2 Å²	70.2	53%	0.528	38%	0.383	S	S	.	.	H	α-helix	trans	-57.7	-48.4	173	-68.8	174.3	167.8	0	0	111.2	C22 S23 R28 H29 D30	C22-E26 PolarHBondContact O-N 3.26Å; S23-E26 PolarHBondContact O-N 3.25Å; E26-R28 VanDerWaalsContact C-N 3.29Å; E26-R28 PolarHBondContact O-N 3.11Å; E26-H29 PolarHBondContact O-N 3.14Å; E26-H29 VanDerWaalsContact O-N 3.14Å; E26-D30 PolarHBondContact O-N 3.4Å
27	Q	90.9	Very high	88.5	Confident	61 Å²	61	66 Å²	66	29%	0.285	36%	0.364	S	S	.	.	H	α-helix	trans	-58	-40.9	176.3	-73.5	173.3	27	0	0	112.5	S23 N25 D30 G31 L32	S23-Q27 WeakPolarHBondContact O-CG 3.08Å; S23-Q27 PolarHBondContact O-N 2.86Å; N25-Q27 PolarHBondContact O-N 3.32Å; Q27-D30 PolarHBondContact O-N 3.47Å; Q27-G31 PolarHBondContact O-N 3.37Å; Q27-L32 HydrophobicContact CB-CB 4.33Å; Q27-L32 HydrophobicContact CG-CB 4.47Å; Q27-L32 PolarHBondContact O-N 2.83Å
28	R	90.6	Very high	88.6	Confident	34 Å²	34	63 Å²	63	13%	0.128	34%	0.343	C	S	.	.	H	α-helix	trans	-60.9	-46.2	176.6	179.8	-163.9	168.2	-159.5	-6.2	111.2	L24 N25 E26 G31 R46 L89 Y93	L24-R28 WeakPolarHBondContact O-CB 3.3Å; L24-R28 PolarHBondContact O-N 2.95Å; N25-R28 WeakPolarHBondContact O-CB 3.35Å; N25-R28 PolarHBondContact O-N 3.2Å; E26-R28 VanDerWaalsContact C-N 3.29Å; E26-R28 PolarHBondContact O-N 3.11Å; R28-G31 PolarHBondContact O-N 2.73Å; R28-G31 VanDerWaalsContact O-N 3.15Å; R28-R46 VanDerWaalsContact CG-O 3.31Å; R28-R46 WeakPolarHBondContact CG-O 3.38Å; R28-L89 PolarHBondContact NH1-O 3.29Å; R28-Y93 HydrophobicContact CB-CD1 4.4Å; R28-Y93 HydrophobicContact CB-CE1 3.98Å; R28-Y93 HydrophobicContact CG-CE1 4.41Å
29	H	87.4	Confident	88.8	Confident	136 Å²	136	61.4 Å²	61.4	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-66.4	-37.3	179.9	-77.9	-65	0	0	0	112.6	N25 E26 G31	N25-H29 PolarHBondContact O-CD2 3.44Å; N25-H29 PolarHBondContact O-N 3.15Å; E26-H29 PolarHBondContact O-N 3.14Å; E26-H29 VanDerWaalsContact O-N 3.14Å; H29-G31 PolarHBondContact O-N 3.43Å
30	D	87.4	Confident	88.8	Confident	121 Å²	121	55.7 Å²	55.7	65%	0.647	30%	0.304	S	S	*	.	H	α-helix	trans	-77.2	-9.3	174.6	-69.4	-22.8	0	0	0	112.9	E26 Q27 L32	E26-D30 PolarHBondContact O-N 3.4Å; Q27-D30 PolarHBondContact O-N 3.47Å; D30-L32 HydrophobicContact CB-CD1 3.89Å; D30-L32 HydrophobicContact CB-CG 3.8Å; D30-L32 PolarHBondContact O-N 2.81Å
31	G	84.1	Confident	88.5	Confident	29 Å²	29	57.7 Å²	57.7	30%	0.299	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	20.2	-176.5	0	0	0	0	0	113.4	Q27 R28 H29	Q27-G31 PolarHBondContact O-N 3.37Å; R28-G31 PolarHBondContact O-N 2.73Å; R28-G31 VanDerWaalsContact O-N 3.15Å; H29-G31 PolarHBondContact O-N 3.43Å
32	L	82.1	Confident	88.2	Confident	96 Å²	96	65 Å²	65	50%	0.503	34%	0.342	S	S	.	.			trans	-79.9	133.4	178.4	-63.6	174.6	0	0	0	109.4	Q27 D30 C34 H48	Q27-L32 HydrophobicContact CB-CB 4.33Å; Q27-L32 HydrophobicContact CG-CB 4.47Å; Q27-L32 PolarHBondContact O-N 2.83Å; D30-L32 HydrophobicContact CB-CD1 3.89Å; D30-L32 HydrophobicContact CB-CG 3.8Å; D30-L32 PolarHBondContact O-N 2.81Å; L32-C34 PolarHBondContact O-N 2.99Å; L32-H48 PolarHBondContact O-NE2 2.71Å; L32-H48 VanDerWaalsContact O-NE2 3.16Å
33	L	84	Confident	88.2	Confident	139 Å²	139	66.5 Å²	66.5	73%	0.728	34%	0.343	S	S	*	.	S	Bend	trans	58.7	8.5	176.2	-54.1	176.5	0	0	0	115.8	D35 H48	L33-D35 PolarHBondContact O-N 2.93Å; L33-D35 VanDerWaalsContact O-N 3.14Å; L33-H48 PolarHBondContact O-CD2 2.86Å; L33-H48 VanDerWaalsContact O-CD2 3.27Å
34	C	86.8	Confident	88.2	Confident	33 Å²	33	69.3 Å²	69.3	22%	0.223	35%	0.35	C	S	.	.			trans	-63.8	112	171.9	-67.8	0	0	0	0	110.5	L32 R46	L32-C34 PolarHBondContact O-N 2.99Å; C34-R46 HydrophobicContact CB-CB 4.05Å
35	D	86.1	Confident	88.1	Confident	62 Å²	62	69 Å²	69	33%	0.332	35%	0.346	S	S	.	.			trans	-101.4	-4.7	-177.7	69.5	-39.4	0	0	0	113.2	L33 T47 H48 R49	L33-D35 PolarHBondContact O-N 2.93Å; L33-D35 VanDerWaalsContact O-N 3.14Å; D35-T47 PolarHBondContact N-O 3.27Å; D35-H48 VanDerWaalsContact OD1-CA 3.3Å; D35-H48 WeakPolarHBondContact OD1-CA 3.22Å; D35-R49 PolarHBondContact O-NH1 3.04Å; D35-R49 PolarHBondContact OD1-N 2.91Å; D35-R49 WeakPolarHBondContact OD2-CB 3.31Å; D35-R49 WeakPolarHBondContact OD2-CD 3.43Å; D35-R49 WeakPolarHBondContact OD2-CG 3.43Å; D35-R49 IonicContact OD2-CZ 3.55Å; D35-R49 IonicContact OD2-NE 2.82Å; D35-R49 IonicContact OD2-NH1 2.73Å; D35-R49 PolarHBondContact OD2-NH1 2.94Å
36	V	89.6	Confident	88.1	Confident	4 Å²	4	74.8 Å²	74.8	2%	0.024	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.2	177.2	160.3	0	0	0	0	112.9	L38 T47 R49 L52 F63 Y73 Y75	V36-L38 HydrophobicContact CG1-CD2 3.61Å; V36-L38 HydrophobicContact CG1-CG 4.1Å; V36-T47 PolarHBondContact N-O 3.27Å; V36-T47 VanDerWaalsContact N-O 3.09Å; V36-T47 PolarHBondContact O-N 2.93Å; V36-T47 VanDerWaalsContact O-O 3.05Å; V36-R49 HydrophobicContact CB-CG 4.13Å; V36-R49 HydrophobicContact CG2-CG 3.25Å; V36-R49 VanDerWaalsContact CG2-NE 3.34Å; V36-L52 HydrophobicContact CG1-CD1 4.46Å; V36-F63 HydrophobicContact CG2-CE1 4.09Å; V36-F63 HydrophobicContact CG2-CZ 4.4Å; V36-Y73 CarbonylContact C-O 3.54Å; V36-Y73 WeakPolarHBondContact CA-O 3.41Å; V36-Y75 HydrophobicContact CG1-CD2 3.88Å; V36-Y75 HydrophobicContact CG1-CE2 4.27Å; V36-Y75 HydrophobicContact CG2-CD2 4.21Å; V36-Y75 HydrophobicContact CG2-CE2 3.77Å
37	L	89.3	Confident	88.1	Confident	24 Å²	24	69.4 Å²	69.4	13%	0.126	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.8	169.6	-167.2	77.6	0	0	0	107.9	V39 E44 Y45 R46 Y73 V74 Y75	L37-V39 HydrophobicContact CD2-CG2 4.13Å; L37-V39 HydrophobicContact CG-CG2 4.38Å; L37-E44 HydrophobicContact CD1-CB 4.14Å; L37-Y45 CarbonylContact C-O 3.55Å; L37-Y45 WeakPolarHBondContact CA-O 3.37Å; L37-R46 HydrophobicContact CD1-CG 3.44Å; L37-R46 VanDerWaalsContact CD1-CG 3.44Å; L37-Y73 PolarHBondContact N-O 2.89Å; L37-V74 HydrophobicContact CB-CG1 4.45Å; L37-V74 HydrophobicContact CB-CG2 4.23Å; L37-V74 HydrophobicContact CD2-CG1 4.04Å; L37-V74 HydrophobicContact CD2-CG2 3.92Å; L37-V74 CarbonylContact O-C 3.3Å; L37-V74 VanDerWaalsContact O-CA 3.27Å; L37-V74 WeakPolarHBondContact O-CA 3.42Å; L37-Y75 PolarHBondContact O-N 3.45Å
38	L	90.4	Very high	88.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.3	169	-53.7	179.9	0	0	0	108.1	V36 E44 Y45 L52 F59 Y75 I77 L85 L89	V36-L38 HydrophobicContact CG1-CD2 3.61Å; V36-L38 HydrophobicContact CG1-CG 4.1Å; L38-E44 CarbonylContact O-C 3.58Å; L38-Y45 PolarHBondContact N-O 3.01Å; L38-Y45 PolarHBondContact O-N 2.72Å; L38-L52 HydrophobicContact CD1-CD1 3.88Å; L38-L52 HydrophobicContact CD2-CD1 4.43Å; L38-L52 HydrophobicContact CG-CD1 4.39Å; L38-F59 HydrophobicContact CD1-CE1 4.34Å; L38-F59 HydrophobicContact CD1-CZ 3.98Å; L38-F59 HydrophobicContact CD2-CE1 4.16Å; L38-Y75 CarbonylContact C-O 3.5Å; L38-Y75 WeakPolarHBondContact CA-O 3.28Å; L38-Y75 HydrophobicContact CD2-CD2 4.36Å; L38-I77 HydrophobicContact CD1-CD1 4.3Å; L38-I77 HydrophobicContact CD2-CD1 4.15Å; L38-L85 HydrophobicContact CD1-CD2 4.33Å; L38-L89 HydrophobicContact CD1-CD2 4.35Å
39	V	89.6	Confident	88	Confident	25 Å²	25	67.9 Å²	67.9	15%	0.152	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.7	175.6	-179.9	0	0	0	0	107.2	L37 Q43 E44 V74 Y75 E76 I77	L37-V39 HydrophobicContact CD2-CG2 4.13Å; L37-V39 HydrophobicContact CG-CG2 4.38Å; V39-Q43 WeakPolarHBondContact CA-O 3.15Å; V39-E44 HydrophobicContact CG2-CG 4.34Å; V39-V74 HydrophobicContact CB-CG1 4.44Å; V39-V74 HydrophobicContact CG2-CG1 3.47Å; V39-V74 VanDerWaalsContact CG2-CG1 3.47Å; V39-Y75 PolarHBondContact N-O 2.62Å; V39-E76 HydrophobicContact CB-CG 4.1Å; V39-E76 HydrophobicContact CG1-CG 4.42Å; V39-E76 CarbonylContact O-C 3.56Å; V39-E76 VanDerWaalsContact O-CA 3.31Å; V39-E76 WeakPolarHBondContact O-CA 3.42Å; V39-I77 PolarHBondContact O-N 3.41Å
40	V	90.4	Very high	88.1	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	112.1	176.8	178.2	0	0	0	0	108	E42 Q43 Y45 I77 V80 P82 L85	V40-E42 PolarHBondContact O-N 3.37Å; V40-Q43 PolarHBondContact N-O 3.33Å; V40-Q43 PolarHBondContact O-N 3.37Å; V40-Y45 HydrophobicContact CB-CE2 4.33Å; V40-I77 HydrophobicContact CG2-CB 3.98Å; V40-V80 WeakPolarHBondContact CG1-O 3.25Å; V40-P82 HydrophobicContact CG1-CB 4.3Å; V40-L85 HydrophobicContact CB-CD2 4.33Å; V40-L85 HydrophobicContact CG2-CD2 3.23Å
41	Q	85.6	Confident	88.2	Confident	105 Å²	105	60.1 Å²	60.1	49%	0.491	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	-101.1	-172.2	-54.9	172.5	6.7	0	0	110.3
42	E	84.4	Confident	88.6	Confident	190 Å²	190	58.9 Å²	58.9	89%	0.888	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-2.3	178.6	-60.7	-173.8	170.6	0	0	113.3	V40	V40-E42 PolarHBondContact O-N 3.37Å
43	Q	87.9	Confident	88.9	Confident	104 Å²	104	55.7 Å²	55.7	49%	0.486	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.4	-174.7	-165.2	61.5	41.1	0	0	111.8	V39 V40 Y45	V39-Q43 WeakPolarHBondContact CA-O 3.15Å; V40-Q43 PolarHBondContact N-O 3.33Å; V40-Q43 PolarHBondContact O-N 3.37Å; Q43-Y45 HydrophobicContact CB-CE2 3.85Å; Q43-Y45 HydrophobicContact CG-CD2 4.41Å; Q43-Y45 HydrophobicContact CG-CE1 4.16Å; Q43-Y45 HydrophobicContact CG-CE2 3.63Å; Q43-Y45 VanDerWaalsContact CG-CZ 3.48Å; Q43-Y45 WeakPolarHBondContact CG-OH 3.5Å
44	E	91.1	Very high	89.2	Confident	111 Å²	111	53.3 Å²	53.3	52%	0.519	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.8	177.9	-58.8	-172.9	175	0	0	111.8	L37 L38 V39	L37-E44 HydrophobicContact CD1-CB 4.14Å; L38-E44 CarbonylContact O-C 3.58Å; V39-E44 HydrophobicContact CG2-CG 4.34Å
45	Y	90.7	Very high	89.4	Confident	32 Å²	32	53.4 Å²	53.4	13%	0.125	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113	178.3	-60	-85.7	0	0	0	110.8	L37 L38 V40 Q43 P82 L85 A86 L89	L37-Y45 CarbonylContact C-O 3.55Å; L37-Y45 WeakPolarHBondContact CA-O 3.37Å; L38-Y45 PolarHBondContact N-O 3.01Å; L38-Y45 PolarHBondContact O-N 2.72Å; V40-Y45 HydrophobicContact CB-CE2 4.33Å; Q43-Y45 HydrophobicContact CB-CE2 3.85Å; Q43-Y45 HydrophobicContact CG-CD2 4.41Å; Q43-Y45 HydrophobicContact CG-CE1 4.16Å; Q43-Y45 HydrophobicContact CG-CE2 3.63Å; Q43-Y45 VanDerWaalsContact CG-CZ 3.48Å; Q43-Y45 WeakPolarHBondContact CG-OH 3.5Å; Y45-P82 PolarHBondContact OH-O 3.16Å; Y45-P82 VanDerWaalsContact OH-O 3.11Å; Y45-L85 HydrophobicContact CD2-CD2 4.04Å; Y45-L85 HydrophobicContact CE2-CD2 4.2Å; Y45-A86 HydrophobicContact CE1-CB 4.1Å; Y45-L89 HydrophobicContact CD1-CD1 3.74Å; Y45-L89 HydrophobicContact CE1-CD1 4.49Å; Y45-L89 HydrophobicContact CG-CD1 3.77Å
46	R	90.1	Very high	89.7	Confident	152 Å²	152	50.6 Å²	50.6	57%	0.574	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.4	174	-65	177.9	-171.6	-161.4	0.9	110	R28 C34 L37	R28-R46 VanDerWaalsContact CG-O 3.31Å; R28-R46 WeakPolarHBondContact CG-O 3.38Å; C34-R46 HydrophobicContact CB-CB 4.05Å; L37-R46 HydrophobicContact CD1-CG 3.44Å; L37-R46 VanDerWaalsContact CD1-CG 3.44Å
47	T	91.4	Very high	89.6	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	169.5	-174	59.1	0	0	0	0	112	D35 V36 L52 L89	D35-T47 PolarHBondContact N-O 3.27Å; V36-T47 PolarHBondContact N-O 3.27Å; V36-T47 VanDerWaalsContact N-O 3.09Å; V36-T47 PolarHBondContact O-N 2.93Å; V36-T47 VanDerWaalsContact O-O 3.05Å; T47-L52 WeakPolarHBondContact OG1-CD1 3.47Å; T47-L89 HydrophobicContact CG2-CD1 4.18Å; T47-L89 HydrophobicContact CG2-CD2 3.92Å
48	H	90.8	Very high	89.7	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.037	29%	0.291	C	S	.	.			trans	-96.3	132	174.1	-52.4	92.4	0	0	0	111.5	L32 L33 D35 S50 V51 L52 Y93	L32-H48 PolarHBondContact O-NE2 2.71Å; L32-H48 VanDerWaalsContact O-NE2 3.16Å; L33-H48 PolarHBondContact O-CD2 2.86Å; L33-H48 VanDerWaalsContact O-CD2 3.27Å; D35-H48 VanDerWaalsContact OD1-CA 3.3Å; D35-H48 WeakPolarHBondContact OD1-CA 3.22Å; H48-S50 VanDerWaalsContact C-N 3.25Å; H48-S50 PolarHBondContact O-N 3.39Å; H48-V51 HydrophobicContact CB-CB 4.45Å; H48-V51 HydrophobicContact CB-CG2 4.08Å; H48-V51 PolarHBondContact O-N 2.87Å; H48-L52 PolarHBondContact O-N 3.14Å; H48-Y93 PolarHBondContact N-OH 2.96Å; H48-Y93 AromaticContact ND1-CE1 3.58Å; H48-Y93 AromaticContact ND1-CZ 3.75Å; H48-Y93 PolarHBondContact ND1-OH 3.38Å; H48-Y93 VanDerWaalsContact ND1-OH 3.07Å
49	R	88.6	Confident	89.6	Confident	55 Å²	55	57.9 Å²	57.9	21%	0.208	29%	0.292	C	S	.	.	H	α-helix	trans	-56.1	-40.1	173.7	-76.6	-173.8	177.3	106.1	-2.6	112.6	D35 V36 V51 L52 A53 F63 P72	D35-R49 PolarHBondContact O-NH1 3.04Å; D35-R49 PolarHBondContact OD1-N 2.91Å; D35-R49 WeakPolarHBondContact OD2-CB 3.31Å; D35-R49 WeakPolarHBondContact OD2-CD 3.43Å; D35-R49 WeakPolarHBondContact OD2-CG 3.43Å; D35-R49 IonicContact OD2-CZ 3.55Å; D35-R49 IonicContact OD2-NE 2.82Å; D35-R49 IonicContact OD2-NH1 2.73Å; D35-R49 PolarHBondContact OD2-NH1 2.94Å; V36-R49 HydrophobicContact CB-CG 4.13Å; V36-R49 HydrophobicContact CG2-CG 3.25Å; V36-R49 VanDerWaalsContact CG2-NE 3.34Å; R49-V51 PolarHBondContact O-N 3Å; R49-L52 PolarHBondContact O-N 2.79Å; R49-A53 WeakPolarHBondContact O-CB 3.28Å; R49-A53 PolarHBondContact O-N 3.37Å; R49-F63 HydrophobicContact CB-CD2 4.02Å; R49-F63 HydrophobicContact CB-CE2 4Å; R49-F63 HydrophobicContact CB-CG 4.42Å; R49-F63 HydrophobicContact CB-CZ 4.4Å; R49-F63 HydrophobicContact CG-CD1 4.02Å; R49-F63 HydrophobicContact CG-CD2 4.12Å; R49-F63 HydrophobicContact CG-CE1 3.94Å; R49-F63 HydrophobicContact CG-CE2 4.02Å; R49-F63 HydrophobicContact CG-CG 4.14Å; R49-F63 HydrophobicContact CG-CZ 3.94Å; R49-P72 PolarHBondContact NH2-O 3.32Å
50	S	88.9	Confident	89.6	Confident	81 Å²	81	62.5 Å²	62.5	57%	0.566	31%	0.31	S	S	*	.	H	α-helix	trans	-59.9	-46.3	-177	52	0	0	0	0	111.9	H48 A54	H48-S50 VanDerWaalsContact C-N 3.25Å; H48-S50 PolarHBondContact O-N 3.39Å; S50-A54 WeakPolarHBondContact O-CB 3.29Å; S50-A54 PolarHBondContact O-N 3.17Å
51	V	91.2	Very high	89.4	Confident	12 Å²	12	68 Å²	68	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-45.8	-179.7	-179.3	0	0	0	0	110.7	L24 H48 R49 A53 A54 C55 A92 Y93	L24-V51 HydrophobicContact CD1-CG2 3.97Å; H48-V51 HydrophobicContact CB-CB 4.45Å; H48-V51 HydrophobicContact CB-CG2 4.08Å; H48-V51 PolarHBondContact O-N 2.87Å; R49-V51 PolarHBondContact O-N 3Å; V51-A53 PolarHBondContact O-N 3.4Å; V51-A54 WeakPolarHBondContact O-CB 3.1Å; V51-A54 PolarHBondContact O-N 2.87Å; V51-A54 VanDerWaalsContact O-N 3.16Å; V51-C55 PolarHBondContact O-N 3.15Å; V51-A92 HydrophobicContact CG1-CB 4.25Å; V51-A92 WeakPolarHBondContact CG1-O 3.35Å; V51-Y93 HydrophobicContact CB-CE1 4.13Å; V51-Y93 HydrophobicContact CB-CE2 4.15Å; V51-Y93 HydrophobicContact CG1-CD1 4.23Å; V51-Y93 HydrophobicContact CG1-CD2 3.91Å; V51-Y93 HydrophobicContact CG1-CE1 3.97Å; V51-Y93 HydrophobicContact CG1-CE2 3.62Å; V51-Y93 HydrophobicContact CG1-CG 4.22Å; V51-Y93 HydrophobicContact CG2-CE1 3.81Å
52	L	90.9	Very high	89.4	Confident	4 Å²	4	65 Å²	65	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-40.7	177.7	-70.6	-178	0	0	0	112.7	V36 L38 T47 H48 R49 A54 C55 S56 F59 F63 L89	V36-L52 HydrophobicContact CG1-CD1 4.46Å; L38-L52 HydrophobicContact CD1-CD1 3.88Å; L38-L52 HydrophobicContact CD2-CD1 4.43Å; L38-L52 HydrophobicContact CG-CD1 4.39Å; T47-L52 WeakPolarHBondContact OG1-CD1 3.47Å; H48-L52 PolarHBondContact O-N 3.14Å; R49-L52 PolarHBondContact O-N 2.79Å; L52-A54 VanDerWaalsContact C-N 3.28Å; L52-A54 PolarHBondContact O-N 3.41Å; L52-C55 PolarHBondContact O-N 2.96Å; L52-S56 PolarHBondContact O-N 3.41Å; L52-F59 HydrophobicContact CB-CB 4.01Å; L52-F59 HydrophobicContact CB-CD2 4Å; L52-F59 HydrophobicContact CB-CG 4.03Å; L52-F59 HydrophobicContact CD2-CD2 4.07Å; L52-F59 HydrophobicContact CD2-CE2 4.08Å; L52-F59 HydrophobicContact CG-CD2 4.43Å; L52-F63 HydrophobicContact CB-CE2 3.82Å; L52-F63 HydrophobicContact CB-CZ 4.29Å; L52-F63 HydrophobicContact CD1-CE2 4.45Å; L52-F63 HydrophobicContact CD1-CZ 4.1Å; L52-L89 HydrophobicContact CD2-CD2 3.51Å
53	A	89.9	Confident	89.4	Confident	28 Å²	28	57 Å²	57	23%	0.231	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-28.2	175.8	0	0	0	0	0	113.1	R49 V51 K60 F63	R49-A53 WeakPolarHBondContact O-CB 3.28Å; R49-A53 PolarHBondContact O-N 3.37Å; V51-A53 PolarHBondContact O-N 3.4Å; A53-K60 HydrophobicContact CB-CB 4.29Å; A53-K60 HydrophobicContact CB-CG 4.5Å; A53-F63 HydrophobicContact CB-CD2 4.13Å
54	A	89.9	Confident	89	Confident	90 Å²	90	56.5 Å²	56.5	74%	0.744	29%	0.287	S	S	*	.	H	α-helix	trans	-74.9	-41.5	175.9	0	0	0	0	0	111.4	S50 V51 L52	S50-A54 WeakPolarHBondContact O-CB 3.29Å; S50-A54 PolarHBondContact O-N 3.17Å; V51-A54 WeakPolarHBondContact O-CB 3.1Å; V51-A54 PolarHBondContact O-N 2.87Å; V51-A54 VanDerWaalsContact O-N 3.16Å; L52-A54 VanDerWaalsContact C-N 3.28Å; L52-A54 PolarHBondContact O-N 3.41Å
55	C	90.8	Very high	87.9	Confident	34 Å²	34	55 Å²	55	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-79.6	-33.5	-176.7	-171.1	0	0	0	0	113.6	V51 L52 A92	V51-C55 PolarHBondContact O-N 3.15Å; L52-C55 PolarHBondContact O-N 2.96Å; C55-A92 HydrophobicContact CB-CB 4.04Å
56	S	91.4	Very high	86.4	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.021	31%	0.305	C	S	.	.			trans	-128.3	131.5	-170.2	165.8	0	0	0	0	112.4	L52 Y58 F59 K60 L114	L52-S56 PolarHBondContact O-N 3.41Å; S56-Y58 VanDerWaalsContact C-N 3.33Å; S56-Y58 WeakPolarHBondContact OG-CB 3.3Å; S56-Y58 PolarHBondContact OG-N 2.96Å; S56-Y58 VanDerWaalsContact OG-N 3.15Å; S56-F59 PolarHBondContact OG-N 2.82Å; S56-F59 VanDerWaalsContact OG-N 3.13Å; S56-K60 WeakPolarHBondContact O-CB 3.2Å; S56-K60 PolarHBondContact O-N 3.14Å; S56-L114 PolarHBondContact OG-O 3.06Å
57	K	89.4	Confident	84.4	Confident	118 Å²	118	53.3 Å²	53.3	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-68.3	-33.8	172	-68.5	178.4	-177.2	174.4	0	112	K60 K61 E115	K57-K60 PolarHBondContact O-N 3.43Å; K57-K61 WeakPolarHBondContact O-CG 3.09Å; K57-K61 PolarHBondContact O-N 2.99Å; K57-E115 HydrophobicContact CB-CB 3.98Å; K57-E115 WeakPolarHBondContact CB-OE2 3.33Å
58	Y	89.7	Confident	82.2	Confident	60 Å²	60	60.9 Å²	60.9	24%	0.235	35%	0.351	C	S	.	.	H	α-helix	trans	-60.2	-54.6	175.2	175.3	-95.5	0	0	0	110.8	S56 K60 K61 L62 F79 L114	S56-Y58 VanDerWaalsContact C-N 3.33Å; S56-Y58 WeakPolarHBondContact OG-CB 3.3Å; S56-Y58 PolarHBondContact OG-N 2.96Å; S56-Y58 VanDerWaalsContact OG-N 3.15Å; Y58-K60 VanDerWaalsContact C-N 3.3Å; Y58-K60 PolarHBondContact O-N 2.84Å; Y58-K61 PolarHBondContact O-N 3.09Å; Y58-L62 HydrophobicContact CE1-CD1 3.71Å; Y58-L62 WeakPolarHBondContact O-CB 3.24Å; Y58-L62 PolarHBondContact O-N 3Å; Y58-F79 HydrophobicContact CE1-CZ 4.48Å; Y58-L114 WeakPolarHBondContact CB-O 3.27Å; Y58-L114 HydrophobicContact CD1-CD2 3.9Å; Y58-L114 HydrophobicContact CE1-CD2 4.29Å
59	F	89	Confident	80.1	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.018	39%	0.393	C	S	.	.	H	α-helix	trans	-63.1	-37.5	178.4	-73.2	-54.7	0	0	0	112.2	L38 L52 S56 K61 L62 F63 I77 L114	L38-F59 HydrophobicContact CD1-CE1 4.34Å; L38-F59 HydrophobicContact CD1-CZ 3.98Å; L38-F59 HydrophobicContact CD2-CE1 4.16Å; L52-F59 HydrophobicContact CB-CB 4.01Å; L52-F59 HydrophobicContact CB-CD2 4Å; L52-F59 HydrophobicContact CB-CG 4.03Å; L52-F59 HydrophobicContact CD2-CD2 4.07Å; L52-F59 HydrophobicContact CD2-CE2 4.08Å; L52-F59 HydrophobicContact CG-CD2 4.43Å; S56-F59 PolarHBondContact OG-N 2.82Å; S56-F59 VanDerWaalsContact OG-N 3.13Å; F59-K61 PolarHBondContact O-N 2.78Å; F59-L62 PolarHBondContact O-N 2.94Å; F59-F63 HydrophobicContact CB-CD2 4.33Å; F59-F63 HydrophobicContact CB-CE2 3.77Å; F59-F63 HydrophobicContact CB-CZ 4.24Å; F59-F63 HydrophobicContact CD1-CE2 4.45Å; F59-F63 HydrophobicContact CD1-CZ 4.07Å; F59-F63 HydrophobicContact CG-CE2 4.4Å; F59-F63 HydrophobicContact CG-CZ 4.45Å; F59-F63 WeakPolarHBondContact O-CD2 3.4Å; F59-F63 VanDerWaalsContact O-CG 3.3Å; F59-F63 WeakPolarHBondContact O-CG 3.32Å; F59-F63 PolarHBondContact O-N 3.41Å; F59-I77 HydrophobicContact CE1-CD1 3.84Å; F59-I77 HydrophobicContact CZ-CD1 3.77Å; F59-L114 HydrophobicContact CE2-CD1 4.37Å; F59-L114 HydrophobicContact CE2-CD2 3.87Å; F59-L114 HydrophobicContact CZ-CD2 3.8Å
60	K	88.6	Confident	78.5	Confident	122 Å²	122	68.2 Å²	68.2	53%	0.53	42%	0.418	S	S	.	.	H	α-helix	trans	-58.5	-47	173.8	-170.8	173.2	-178.1	172.3	0	112.1	A53 S56 K57 Y58 T64	A53-K60 HydrophobicContact CB-CB 4.29Å; A53-K60 HydrophobicContact CB-CG 4.5Å; S56-K60 WeakPolarHBondContact O-CB 3.2Å; S56-K60 PolarHBondContact O-N 3.14Å; K57-K60 PolarHBondContact O-N 3.43Å; Y58-K60 VanDerWaalsContact C-N 3.3Å; Y58-K60 PolarHBondContact O-N 2.84Å; K60-T64 VanDerWaalsContact O-CB 3.32Å; K60-T64 WeakPolarHBondContact O-CB 3.39Å; K60-T64 VanDerWaalsContact O-CG2 3.24Å; K60-T64 WeakPolarHBondContact O-CG2 3.47Å; K60-T64 PolarHBondContact O-N 2.82Å; K60-T64 PolarHBondContact O-OG1 3.13Å
61	K	87.8	Confident	77	Confident	114 Å²	114	67.3 Å²	67.3	50%	0.496	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-42.9	175.6	-71.9	167.3	-178.1	163.1	0	111.3	K57 Y58 F59 F63 T64 A65 E115	K57-K61 WeakPolarHBondContact O-CG 3.09Å; K57-K61 PolarHBondContact O-N 2.99Å; Y58-K61 PolarHBondContact O-N 3.09Å; F59-K61 PolarHBondContact O-N 2.78Å; K61-F63 PolarHBondContact O-N 3.37Å; K61-T64 WeakPolarHBondContact CA-OG1 3.34Å; K61-T64 PolarHBondContact O-N 2.91Å; K61-T64 PolarHBondContact O-OG1 3.38Å; K61-A65 VanDerWaalsContact O-CB 3.22Å; K61-A65 WeakPolarHBondContact O-CB 3.33Å; K61-A65 PolarHBondContact O-N 2.92Å; K61-E115 VanDerWaalsContact NZ-CD 3.29Å; K61-E115 IonicContact NZ-OE1 2.71Å; K61-E115 PolarHBondContact NZ-OE1 3.11Å; K61-E115 IonicContact NZ-OE2 3.44Å; K61-E115 PolarHBondContact NZ-OE2 3.37Å
62	L	85.1	Confident	75.4	Confident	44 Å²	44	70.1 Å²	70.1	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-63.2	-41.4	-178.4	-180	147.5	0	0	0	112.2	Y58 F59 Y75	Y58-L62 HydrophobicContact CE1-CD1 3.71Å; Y58-L62 WeakPolarHBondContact O-CB 3.24Å; Y58-L62 PolarHBondContact O-N 3Å; F59-L62 PolarHBondContact O-N 2.94Å; L62-Y75 HydrophobicContact CD1-CD1 4.28Å; L62-Y75 HydrophobicContact CD2-CD1 3.65Å; L62-Y75 HydrophobicContact CD2-CE1 3.29Å; L62-Y75 HydrophobicContact CD2-CE2 4.24Å; L62-Y75 HydrophobicContact CD2-CG 4.24Å; L62-Y75 HydrophobicContact CG-CD1 4.34Å; L62-Y75 HydrophobicContact CG-CE1 4.09Å
63	F	85.1	Confident	74.5	Confident	22 Å²	22	77.9 Å²	77.9	10%	0.096	45%	0.453	C	S	.	.	H	α-helix	trans	-79.4	-28	176.3	-55.8	-40.8	0	0	0	113.7	V36 R49 L52 A53 F59 K61 Q71 Y75	V36-F63 HydrophobicContact CG2-CE1 4.09Å; V36-F63 HydrophobicContact CG2-CZ 4.4Å; R49-F63 HydrophobicContact CB-CD2 4.02Å; R49-F63 HydrophobicContact CB-CE2 4Å; R49-F63 HydrophobicContact CB-CG 4.42Å; R49-F63 HydrophobicContact CB-CZ 4.4Å; R49-F63 HydrophobicContact CG-CD1 4.02Å; R49-F63 HydrophobicContact CG-CD2 4.12Å; R49-F63 HydrophobicContact CG-CE1 3.94Å; R49-F63 HydrophobicContact CG-CE2 4.02Å; R49-F63 HydrophobicContact CG-CG 4.14Å; R49-F63 HydrophobicContact CG-CZ 3.94Å; L52-F63 HydrophobicContact CB-CE2 3.82Å; L52-F63 HydrophobicContact CB-CZ 4.29Å; L52-F63 HydrophobicContact CD1-CE2 4.45Å; L52-F63 HydrophobicContact CD1-CZ 4.1Å; A53-F63 HydrophobicContact CB-CD2 4.13Å; F59-F63 HydrophobicContact CB-CD2 4.33Å; F59-F63 HydrophobicContact CB-CE2 3.77Å; F59-F63 HydrophobicContact CB-CZ 4.24Å; F59-F63 HydrophobicContact CD1-CE2 4.45Å; F59-F63 HydrophobicContact CD1-CZ 4.07Å; F59-F63 HydrophobicContact CG-CE2 4.4Å; F59-F63 HydrophobicContact CG-CZ 4.45Å; F59-F63 WeakPolarHBondContact O-CD2 3.4Å; F59-F63 VanDerWaalsContact O-CG 3.3Å; F59-F63 WeakPolarHBondContact O-CG 3.32Å; F59-F63 PolarHBondContact O-N 3.41Å; K61-F63 PolarHBondContact O-N 3.37Å; F63-Q71 PolarHBondContact O-NE2 3.04Å; F63-Y75 HydrophobicContact CD1-CE2 4.22Å; F63-Y75 HydrophobicContact CE1-CD2 4.26Å; F63-Y75 AromaticContact CE1-CE2 3.66Å; F63-Y75 HydrophobicContact CE1-CE2 3.66Å; F63-Y75 AromaticContact CE1-CZ 3.91Å
64	T	79.4	Confident	74.1	Confident	92 Å²	92	78.4 Å²	78.4	56%	0.564	45%	0.454	S	S	*	.	H	α-helix	trans	-83.3	-29.8	-179.7	50.1	0	0	0	0	113.7	K60 K61 G66	K60-T64 VanDerWaalsContact O-CB 3.32Å; K60-T64 WeakPolarHBondContact O-CB 3.39Å; K60-T64 VanDerWaalsContact O-CG2 3.24Å; K60-T64 WeakPolarHBondContact O-CG2 3.47Å; K60-T64 PolarHBondContact O-N 2.82Å; K60-T64 PolarHBondContact O-OG1 3.13Å; K61-T64 WeakPolarHBondContact CA-OG1 3.34Å; K61-T64 PolarHBondContact O-N 2.91Å; K61-T64 PolarHBondContact O-OG1 3.38Å; T64-G66 VanDerWaalsContact C-N 3.3Å; T64-G66 PolarHBondContact O-N 2.8Å
65	A	67.8	Low	73.9	Confident	81 Å²	81	75.6 Å²	75.6	67%	0.669	42%	0.424	S	S	*	.	H	α-helix	trans	-70.4	-24.5	178.4	0	0	0	0	0	113.1	K61 T67	K61-A65 VanDerWaalsContact O-CB 3.22Å; K61-A65 WeakPolarHBondContact O-CB 3.33Å; K61-A65 PolarHBondContact O-N 2.92Å; A65-T67 VanDerWaalsContact C-N 3.29Å; A65-T67 PolarHBondContact O-N 3.31Å
66	G	58.9	Low	73.7	Confident	33 Å²	33	81.1 Å²	81.1	34%	0.34	45%	0.447	S	S	.	.			trans	-81	63.8	177.3	0	0	0	0	0	112.9	T64 L68 Q71	T64-G66 VanDerWaalsContact C-N 3.3Å; T64-G66 PolarHBondContact O-N 2.8Å; G66-L68 PolarHBondContact O-N 2.86Å; G66-Q71 VanDerWaalsContact CA-NE2 3.34Å; G66-Q71 PolarHBondContact O-NE2 3.45Å
67	T	47.8	Very low	73.5	Confident	115 Å²	115	81.1 Å²	81.1	71%	0.706	45%	0.446	S	S	*	.			trans	-75	128.4	171.1	35.8	0	0	0	0	110.7	A65	A65-T67 VanDerWaalsContact C-N 3.29Å; A65-T67 PolarHBondContact O-N 3.31Å
68	L	46.1	Very low	73.2	Confident	159 Å²	159	81.5 Å²	81.5	83%	0.832	45%	0.454	S	S	*	.	S	Bend	trans	85.2	102	163	-60.8	152.9	0	0	0	117.4	G66 S70	G66-L68 PolarHBondContact O-N 2.86Å; L68-S70 PolarHBondContact O-N 3.49Å
69	A	46.4	Very low	73	Confident	112 Å²	112	83 Å²	83	93%	0.926	46%	0.462	S	S	*	.	S	Bend	trans	83.3	-9.4	146	0	0	0	0	0	121.1
70	S	54.3	Low	73	Confident	105 Å²	105	82.9 Å²	82.9	73%	0.734	46%	0.462	S	S	*	.			trans	-152.3	49.3	176.2	72.1	0	0	0	0	114.5	L68	L68-S70 PolarHBondContact O-N 3.49Å
71	Q	57.2	Low	73	Confident	61 Å²	61	81.3 Å²	81.3	29%	0.285	46%	0.456	S	S	.	.			trans	-67.4	127.1	172.7	-72.1	-157.6	6.9	0	0	109.6	F63 G66 Y73 Y75	F63-Q71 PolarHBondContact O-NE2 3.04Å; G66-Q71 VanDerWaalsContact CA-NE2 3.34Å; G66-Q71 PolarHBondContact O-NE2 3.45Å; Q71-Y73 PolarHBondContact O-N 3.45Å; Q71-Y75 PolarHBondContact OE1-OH 3.33Å
72	P	59	Low	73	Confident	72 Å²	72	76.7 Å²	76.7	47%	0.468	44%	0.438	S	S	.	.			trans	-61.6	134.7	171.8	29	-34	0	0	0	108.2	R49 V74 Y75	R49-P72 PolarHBondContact NH2-O 3.32Å; P72-V74 WeakPolarHBondContact CB-O 3.41Å; P72-V74 PolarHBondContact O-N 3.48Å; P72-Y75 HydrophobicContact CG-CE1 4.17Å; P72-Y75 VanDerWaalsContact O-CE2 3.32Å; P72-Y75 WeakPolarHBondContact O-CE2 3.29Å
73	Y	70.6	Confident	73.2	Confident	166 Å²	166	81 Å²	81	65%	0.651	46%	0.457	S	S	*	.	S	Bend	trans	-71.4	-13.7	169.2	58.7	-83.9	0	0	0	110.7	V36 L37 Q71	V36-Y73 CarbonylContact C-O 3.54Å; V36-Y73 WeakPolarHBondContact CA-O 3.41Å; L37-Y73 PolarHBondContact N-O 2.89Å; Q71-Y73 PolarHBondContact O-N 3.45Å
74	V	82.8	Confident	73.5	Confident	40 Å²	40	80.2 Å²	80.2	24%	0.242	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.1	-179.6	-168.1	0	0	0	0	110.9	L37 V39 P72	L37-V74 HydrophobicContact CB-CG1 4.45Å; L37-V74 HydrophobicContact CB-CG2 4.23Å; L37-V74 HydrophobicContact CD2-CG1 4.04Å; L37-V74 HydrophobicContact CD2-CG2 3.92Å; L37-V74 CarbonylContact O-C 3.3Å; L37-V74 VanDerWaalsContact O-CA 3.27Å; L37-V74 WeakPolarHBondContact O-CA 3.42Å; V39-V74 HydrophobicContact CB-CG1 4.44Å; V39-V74 HydrophobicContact CG2-CG1 3.47Å; V39-V74 VanDerWaalsContact CG2-CG1 3.47Å; P72-V74 WeakPolarHBondContact CB-O 3.41Å; P72-V74 PolarHBondContact O-N 3.48Å
75	Y	85.6	Confident	74	Confident	30 Å²	30	75.9 Å²	75.9	12%	0.118	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.2	172.7	-64.6	-86.4	0	0	0	110.2	V36 L37 L38 V39 L62 F63 Q71 P72	V36-Y75 HydrophobicContact CG1-CD2 3.88Å; V36-Y75 HydrophobicContact CG1-CE2 4.27Å; V36-Y75 HydrophobicContact CG2-CD2 4.21Å; V36-Y75 HydrophobicContact CG2-CE2 3.77Å; L37-Y75 PolarHBondContact O-N 3.45Å; L38-Y75 CarbonylContact C-O 3.5Å; L38-Y75 WeakPolarHBondContact CA-O 3.28Å; L38-Y75 HydrophobicContact CD2-CD2 4.36Å; V39-Y75 PolarHBondContact N-O 2.62Å; L62-Y75 HydrophobicContact CD1-CD1 4.28Å; L62-Y75 HydrophobicContact CD2-CD1 3.65Å; L62-Y75 HydrophobicContact CD2-CE1 3.29Å; L62-Y75 HydrophobicContact CD2-CE2 4.24Å; L62-Y75 HydrophobicContact CD2-CG 4.24Å; L62-Y75 HydrophobicContact CG-CD1 4.34Å; L62-Y75 HydrophobicContact CG-CE1 4.09Å; F63-Y75 HydrophobicContact CD1-CE2 4.22Å; F63-Y75 HydrophobicContact CE1-CD2 4.26Å; F63-Y75 AromaticContact CE1-CE2 3.66Å; F63-Y75 HydrophobicContact CE1-CE2 3.66Å; F63-Y75 AromaticContact CE1-CZ 3.91Å; Q71-Y75 PolarHBondContact OE1-OH 3.33Å; P72-Y75 HydrophobicContact CG-CE1 4.17Å; P72-Y75 VanDerWaalsContact O-CE2 3.32Å; P72-Y75 WeakPolarHBondContact O-CE2 3.29Å
76	E	86.1	Confident	75.1	Confident	151 Å²	151	73.5 Å²	73.5	71%	0.706	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.6	173.6	-70.7	173	-174.8	0	0	109.8	V39	V39-E76 HydrophobicContact CB-CG 4.1Å; V39-E76 HydrophobicContact CG1-CG 4.42Å; V39-E76 CarbonylContact O-C 3.56Å; V39-E76 VanDerWaalsContact O-CA 3.31Å; V39-E76 WeakPolarHBondContact O-CA 3.42Å
77	I	86.2	Confident	76.7	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.015	40%	0.397	C	S	.	.			trans	-123.9	99.1	179	-54	173.4	0	0	0	108.3	L38 V39 V40 F59 F79 V80	L38-I77 HydrophobicContact CD1-CD1 4.3Å; L38-I77 HydrophobicContact CD2-CD1 4.15Å; V39-I77 PolarHBondContact O-N 3.41Å; V40-I77 HydrophobicContact CG2-CB 3.98Å; F59-I77 HydrophobicContact CE1-CD1 3.84Å; F59-I77 HydrophobicContact CZ-CD1 3.77Å; I77-F79 HydrophobicContact CG2-CD1 4.1Å; I77-F79 HydrophobicContact CG2-CD2 4.36Å; I77-F79 HydrophobicContact CG2-CE1 3.7Å; I77-F79 HydrophobicContact CG2-CE2 3.96Å; I77-F79 HydrophobicContact CG2-CG 4.42Å; I77-F79 HydrophobicContact CG2-CZ 3.62Å; I77-V80 HydrophobicContact CG2-CB 4.17Å; I77-V80 HydrophobicContact CG2-CG2 3.77Å
78	D	84	Confident	78.7	Confident	125 Å²	125	67.3 Å²	67.3	67%	0.668	36%	0.364	S	S	*	.			trans	-89.1	-16.3	-173.8	-62.3	-25.3	0	0	0	114.1
79	F	86	Confident	80.9	Confident	91 Å²	91	59.8 Å²	59.8	40%	0.399	33%	0.325	S	S	.	.	S	Bend	trans	-92.2	-0.5	-171.3	58.7	-96.9	0	0	0	114.1	Y58 I77 M113 L114	Y58-F79 HydrophobicContact CE1-CZ 4.48Å; I77-F79 HydrophobicContact CG2-CD1 4.1Å; I77-F79 HydrophobicContact CG2-CD2 4.36Å; I77-F79 HydrophobicContact CG2-CE1 3.7Å; I77-F79 HydrophobicContact CG2-CE2 3.96Å; I77-F79 HydrophobicContact CG2-CG 4.42Å; I77-F79 HydrophobicContact CG2-CZ 3.62Å; F79-M113 HydrophobicContact CB-CE 4.29Å; F79-M113 HydrophobicContact CD2-CB 3.79Å; F79-M113 HydrophobicContact CD2-CE 3.58Å; F79-M113 HydrophobicContact CD2-CG 4.07Å; F79-M113 HydrophobicContact CE2-CB 3.58Å; F79-M113 HydrophobicContact CE2-CE 4.06Å; F79-M113 HydrophobicContact CE2-CG 4.37Å; F79-M113 HydrophobicContact CG-CE 3.91Å; F79-L114 HydrophobicContact CE2-CD2 4.42Å
80	V	88.3	Confident	83	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.018	30%	0.3	C	S	.	.	S	Bend	trans	-116.7	139.7	-178.1	-174.8	0	0	0	0	109.7	V40 I77 A84 L85 A110	V40-V80 WeakPolarHBondContact CG1-O 3.25Å; I77-V80 HydrophobicContact CG2-CB 4.17Å; I77-V80 HydrophobicContact CG2-CG2 3.77Å; V80-A84 HydrophobicContact CG1-CB 4.42Å; V80-L85 HydrophobicContact CG1-CB 3.93Å; V80-A110 HydrophobicContact CG1-CB 3.61Å
81	Q	87.9	Confident	84.8	Confident	88 Å²	88	54.8 Å²	54.8	41%	0.411	27%	0.271	S	S	.	.			trans	-71.5	140.8	172	-66.8	-62.9	-8.7	0	0	110.6	E83 A84 L85	Q81-E83 VanDerWaalsContact C-N 3.29Å; Q81-E83 PolarHBondContact O-N 2.9Å; Q81-A84 HydrophobicContact CB-CB 4.3Å; Q81-A84 PolarHBondContact O-N 3.25Å; Q81-A84 VanDerWaalsContact O-N 3.16Å; Q81-L85 PolarHBondContact O-N 3.03Å
82	P	88.8	Confident	86.4	Confident	18 Å²	18	52.4 Å²	52.4	12%	0.117	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-37.2	-175.2	23.4	-31.4	0	0	0	112.2	V40 Y45 A84 L85 A86	V40-P82 HydrophobicContact CG1-CB 4.3Å; Y45-P82 PolarHBondContact OH-O 3.16Å; Y45-P82 VanDerWaalsContact OH-O 3.11Å; P82-A84 PolarHBondContact O-N 3.14Å; P82-L85 PolarHBondContact O-N 3.31Å; P82-A86 WeakPolarHBondContact O-CB 3.47Å; P82-A86 PolarHBondContact O-N 3.17Å
83	E	88.8	Confident	88	Confident	135 Å²	135	49 Å²	49	63%	0.631	24%	0.239	S	C	*	.	H	α-helix	trans	-65.3	-40.9	178.2	-55.2	77.9	-168.2	0	0	111.4	Q81 A86 A87	Q81-E83 VanDerWaalsContact C-N 3.29Å; Q81-E83 PolarHBondContact O-N 2.9Å; E83-A86 PolarHBondContact O-N 3.07Å; E83-A87 PolarHBondContact O-N 3.25Å; E83-A87 VanDerWaalsContact O-N 3.12Å
84	A	91	Very high	88.9	Confident	5 Å²	5	43.4 Å²	43.4	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-69.1	-39.3	178.4	0	0	0	0	0	111.7	V80 Q81 P82 I88 H106 I107 A110	V80-A84 HydrophobicContact CG1-CB 4.42Å; Q81-A84 HydrophobicContact CB-CB 4.3Å; Q81-A84 PolarHBondContact O-N 3.25Å; Q81-A84 VanDerWaalsContact O-N 3.16Å; P82-A84 PolarHBondContact O-N 3.14Å; A84-I88 VanDerWaalsContact O-CG1 3.27Å; A84-I88 WeakPolarHBondContact O-CG1 3.27Å; A84-I88 PolarHBondContact O-N 3.46Å; A84-I88 VanDerWaalsContact O-N 3.11Å; A84-H106 HydrophobicContact CB-CB 4.43Å; A84-I107 HydrophobicContact CB-CG1 4.33Å; A84-A110 HydrophobicContact CB-CB 3.93Å
85	L	91.2	Very high	89.1	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-41.3	174.4	-176.5	66.2	0	0	0	111.1	L38 V40 Y45 V80 Q81 P82 A87 I88 L89 L114	L38-L85 HydrophobicContact CD1-CD2 4.33Å; V40-L85 HydrophobicContact CB-CD2 4.33Å; V40-L85 HydrophobicContact CG2-CD2 3.23Å; Y45-L85 HydrophobicContact CD2-CD2 4.04Å; Y45-L85 HydrophobicContact CE2-CD2 4.2Å; V80-L85 HydrophobicContact CG1-CB 3.93Å; Q81-L85 PolarHBondContact O-N 3.03Å; P82-L85 PolarHBondContact O-N 3.31Å; L85-A87 PolarHBondContact O-N 3.22Å; L85-I88 PolarHBondContact O-N 3.02Å; L85-L89 HydrophobicContact CD1-CG 4.21Å; L85-L89 HydrophobicContact CD2-CD1 4.35Å; L85-L89 HydrophobicContact CG-CD1 4.03Å; L85-L89 HydrophobicContact CG-CG 4.11Å; L85-L89 WeakPolarHBondContact O-CB 3.25Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.44Å; L85-L89 PolarHBondContact O-N 3.49Å; L85-L114 HydrophobicContact CD1-CD1 3.96Å
86	A	90.9	Very high	89.2	Confident	32 Å²	32	45.4 Å²	45.4	26%	0.264	24%	0.239	S	C	.	.	H	α-helix	trans	-57.9	-47.1	178.1	0	0	0	0	0	111.6	Y45 P82 E83 I88 L89 E90	Y45-A86 HydrophobicContact CE1-CB 4.1Å; P82-A86 WeakPolarHBondContact O-CB 3.47Å; P82-A86 PolarHBondContact O-N 3.17Å; E83-A86 PolarHBondContact O-N 3.07Å; A86-I88 PolarHBondContact O-N 2.94Å; A86-L89 PolarHBondContact O-N 3.27Å; A86-E90 PolarHBondContact O-N 3.35Å
87	A	90.8	Very high	89.4	Confident	12 Å²	12	40.1 Å²	40.1	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-40.3	176.6	0	0	0	0	0	112.8	E83 L85 E90 F91 L97 I107	E83-A87 PolarHBondContact O-N 3.25Å; E83-A87 VanDerWaalsContact O-N 3.12Å; L85-A87 PolarHBondContact O-N 3.22Å; A87-E90 PolarHBondContact O-N 3.41Å; A87-F91 PolarHBondContact O-N 2.9Å; A87-L97 HydrophobicContact CB-CD1 4.14Å; A87-I107 HydrophobicContact CB-CD1 4.3Å
88	I	91.5	Very high	89.3	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-38.9	175.8	-70.8	171	0	0	0	111.3	A84 L85 A86 F91 A92 A110 L114 I116 I119	A84-I88 VanDerWaalsContact O-CG1 3.27Å; A84-I88 WeakPolarHBondContact O-CG1 3.27Å; A84-I88 PolarHBondContact O-N 3.46Å; A84-I88 VanDerWaalsContact O-N 3.11Å; L85-I88 PolarHBondContact O-N 3.02Å; A86-I88 PolarHBondContact O-N 2.94Å; I88-F91 PolarHBondContact O-N 3.13Å; I88-A92 PolarHBondContact O-N 3.18Å; I88-A110 HydrophobicContact CD1-CB 3.64Å; I88-L114 HydrophobicContact CD1-CD1 4.03Å; I88-L114 HydrophobicContact CG2-CD1 4.25Å; I88-I116 HydrophobicContact CG2-CD1 3.36Å; I88-I119 HydrophobicContact CG1-CD1 4.02Å; I88-I119 HydrophobicContact CG2-CD1 4.38Å
89	L	91.4	Very high	89.5	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-38.4	175.9	-73.5	179.1	0	0	0	111.5	R28 L38 Y45 T47 L52 L85 A86 A92 Y93	R28-L89 PolarHBondContact NH1-O 3.29Å; L38-L89 HydrophobicContact CD1-CD2 4.35Å; Y45-L89 HydrophobicContact CD1-CD1 3.74Å; Y45-L89 HydrophobicContact CE1-CD1 4.49Å; Y45-L89 HydrophobicContact CG-CD1 3.77Å; T47-L89 HydrophobicContact CG2-CD1 4.18Å; T47-L89 HydrophobicContact CG2-CD2 3.92Å; L52-L89 HydrophobicContact CD2-CD2 3.51Å; L85-L89 HydrophobicContact CD1-CG 4.21Å; L85-L89 HydrophobicContact CD2-CD1 4.35Å; L85-L89 HydrophobicContact CG-CD1 4.03Å; L85-L89 HydrophobicContact CG-CG 4.11Å; L85-L89 WeakPolarHBondContact O-CB 3.25Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.44Å; L85-L89 PolarHBondContact O-N 3.49Å; A86-L89 PolarHBondContact O-N 3.27Å; L89-A92 PolarHBondContact O-N 3.37Å; L89-Y93 VanDerWaalsContact O-CD2 3.25Å; L89-Y93 WeakPolarHBondContact O-CD2 3.35Å; L89-Y93 PolarHBondContact O-N 3.45Å
90	E	90.3	Very high	89.5	Confident	85 Å²	85	39.7 Å²	39.7	40%	0.397	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-52.4	171.9	-170.4	171.9	176	0	0	110.2	A86 A87 A92 Y93 T94	A86-E90 PolarHBondContact O-N 3.35Å; A87-E90 PolarHBondContact O-N 3.41Å; E90-A92 VanDerWaalsContact C-N 3.25Å; E90-A92 PolarHBondContact O-N 2.92Å; E90-A92 VanDerWaalsContact O-N 3.15Å; E90-Y93 PolarHBondContact O-N 2.84Å; E90-T94 HydrophobicContact CG-CG2 4.05Å; E90-T94 PolarHBondContact O-N 2.82Å; E90-T94 PolarHBondContact O-OG1 3.24Å
91	F	92.8	Very high	89.3	Confident	28 Å²	28	44.1 Å²	44.1	12%	0.123	26%	0.26	C	S	.	.	H	α-helix	trans	-52.7	-40.2	175	171.9	-97.9	0	0	0	113.6	A87 I88 Y93 S95 T96 L97 I119	A87-F91 PolarHBondContact O-N 2.9Å; I88-F91 PolarHBondContact O-N 3.13Å; F91-Y93 PolarHBondContact O-N 2.81Å; F91-S95 WeakPolarHBondContact O-CA 3.46Å; F91-S95 PolarHBondContact O-N 3.16Å; F91-T96 WeakPolarHBondContact CA-O 3.41Å; F91-L97 HydrophobicContact CB-CB 4.18Å; F91-L97 HydrophobicContact CB-CD1 4.06Å; F91-L97 HydrophobicContact CD2-CB 3.78Å; F91-L97 HydrophobicContact CG-CB 4.26Å; F91-I119 HydrophobicContact CD1-CD1 3.54Å; F91-I119 HydrophobicContact CD1-CG1 3.98Å; F91-I119 HydrophobicContact CE1-CD1 3.87Å; F91-I119 HydrophobicContact CE1-CG1 3.83Å; F91-I119 HydrophobicContact CG-CD1 4.09Å; F91-I119 HydrophobicContact CG-CG1 4.48Å; F91-I119 HydrophobicContact CZ-CG1 4.22Å
92	A	91.1	Very high	89.1	Confident	11 Å²	11	43 Å²	43	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-25.4	179.1	0	0	0	0	0	113.6	V51 C55 I88 L89 E90	V51-A92 HydrophobicContact CG1-CB 4.25Å; V51-A92 WeakPolarHBondContact CG1-O 3.35Å; C55-A92 HydrophobicContact CB-CB 4.04Å; I88-A92 PolarHBondContact O-N 3.18Å; L89-A92 PolarHBondContact O-N 3.37Å; E90-A92 VanDerWaalsContact C-N 3.25Å; E90-A92 PolarHBondContact O-N 2.92Å; E90-A92 VanDerWaalsContact O-N 3.15Å
93	Y	91.9	Very high	89	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-108.9	-25.3	-177	-76.1	-97.3	0	0	0	113.8	L21 L24 N25 R28 H48 V51 L89 E90 F91	L21-Y93 WeakPolarHBondContact CB-O 3.45Å; L24-Y93 HydrophobicContact CB-CD1 4.15Å; L24-Y93 HydrophobicContact CB-CE1 4.22Å; N25-Y93 HydrophobicContact CB-CD1 4.26Å; N25-Y93 WeakPolarHBondContact OD1-CB 3.14Å; R28-Y93 HydrophobicContact CB-CD1 4.4Å; R28-Y93 HydrophobicContact CB-CE1 3.98Å; R28-Y93 HydrophobicContact CG-CE1 4.41Å; H48-Y93 PolarHBondContact N-OH 2.96Å; H48-Y93 AromaticContact ND1-CE1 3.58Å; H48-Y93 AromaticContact ND1-CZ 3.75Å; H48-Y93 PolarHBondContact ND1-OH 3.38Å; H48-Y93 VanDerWaalsContact ND1-OH 3.07Å; V51-Y93 HydrophobicContact CB-CE1 4.13Å; V51-Y93 HydrophobicContact CB-CE2 4.15Å; V51-Y93 HydrophobicContact CG1-CD1 4.23Å; V51-Y93 HydrophobicContact CG1-CD2 3.91Å; V51-Y93 HydrophobicContact CG1-CE1 3.97Å; V51-Y93 HydrophobicContact CG1-CE2 3.62Å; V51-Y93 HydrophobicContact CG1-CG 4.22Å; V51-Y93 HydrophobicContact CG2-CE1 3.81Å; L89-Y93 VanDerWaalsContact O-CD2 3.25Å; L89-Y93 WeakPolarHBondContact O-CD2 3.35Å; L89-Y93 PolarHBondContact O-N 3.45Å; E90-Y93 PolarHBondContact O-N 2.84Å; F91-Y93 PolarHBondContact O-N 2.81Å
94	T	89.2	Confident	89.1	Confident	47 Å²	47	38.3 Å²	38.3	29%	0.288	25%	0.251	S	S	.	.	H	α-helix	trans	-108.3	-15.7	-179.2	63.3	0	0	0	0	112.8	E90 T96	E90-T94 HydrophobicContact CG-CG2 4.05Å; E90-T94 PolarHBondContact O-N 2.82Å; E90-T94 PolarHBondContact O-OG1 3.24Å; T94-T96 WeakPolarHBondContact CB-OG1 3.28Å; T94-T96 PolarHBondContact O-N 3.3Å; T94-T96 PolarHBondContact OG1-N 3.44Å; T94-T96 PolarHBondContact OG1-O 3Å; T94-T96 PolarHBondContact OG1-OG1 3.5Å
95	S	87.2	Confident	89	Confident	31 Å²	31	44.6 Å²	44.6	22%	0.217	28%	0.277	C	S	.	.	S	Bend	trans	58.6	14.6	-168	-53	0	0	0	0	114.4	F91 I228	F91-S95 WeakPolarHBondContact O-CA 3.46Å; F91-S95 PolarHBondContact O-N 3.16Å; S95-I228 VanDerWaalsContact OG-CD1 3.31Å; S95-I228 WeakPolarHBondContact OG-CD1 3.43Å
96	T	87.1	Confident	89	Confident	81 Å²	81	49.3 Å²	49.3	50%	0.497	30%	0.299	S	S	.	.			trans	-111.3	136.3	175.5	57.4	0	0	0	0	109.4	F91 T94	F91-T96 WeakPolarHBondContact CA-O 3.41Å; T94-T96 WeakPolarHBondContact CB-OG1 3.28Å; T94-T96 PolarHBondContact O-N 3.3Å; T94-T96 PolarHBondContact OG1-N 3.44Å; T94-T96 PolarHBondContact OG1-O 3Å; T94-T96 PolarHBondContact OG1-OG1 3.5Å
97	L	90.2	Very high	89	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.209	29%	0.287	C	S	.	.			trans	-127.7	118.6	178.7	-178.5	68.5	0	0	0	109.3	A87 F91 I99 I107 I119	A87-L97 HydrophobicContact CB-CD1 4.14Å; F91-L97 HydrophobicContact CB-CB 4.18Å; F91-L97 HydrophobicContact CB-CD1 4.06Å; F91-L97 HydrophobicContact CD2-CB 3.78Å; F91-L97 HydrophobicContact CG-CB 4.26Å; L97-I99 HydrophobicContact CD2-CD1 3.74Å; L97-I99 HydrophobicContact CD2-CG1 3.87Å; L97-I99 HydrophobicContact CG-CD1 4.24Å; L97-I99 HydrophobicContact CG-CG1 3.85Å; L97-I107 HydrophobicContact CD2-CG2 4.35Å; L97-I119 HydrophobicContact CD2-CB 4.3Å; L97-I119 HydrophobicContact CD2-CD1 4.27Å; L97-I119 HydrophobicContact CD2-CG1 4.02Å; L97-I119 HydrophobicContact CD2-CG2 3.58Å
98	T	85.6	Confident	89	Confident	87 Å²	87	47.6 Å²	47.6	53%	0.534	28%	0.284	S	S	.	.			trans	-90.7	110.6	176.9	53.5	0	0	0	0	110.1
99	I	87.6	Confident	89.1	Confident	42 Å²	42	51.7 Å²	51.7	22%	0.215	31%	0.305	C	S	.	.			trans	-111.7	129.6	179.6	-55.7	173.2	0	0	0	108.9	L97 V104 I107 V122 I126	L97-I99 HydrophobicContact CD2-CD1 3.74Å; L97-I99 HydrophobicContact CD2-CG1 3.87Å; L97-I99 HydrophobicContact CG-CD1 4.24Å; L97-I99 HydrophobicContact CG-CG1 3.85Å; I99-V104 HydrophobicContact CG2-CB 3.58Å; I99-V104 HydrophobicContact CG2-CG2 3.66Å; I99-I107 HydrophobicContact CG1-CD1 4.42Å; I99-V122 HydrophobicContact CD1-CG1 3.91Å; I99-I126 HydrophobicContact CB-CD1 4.39Å; I99-I126 HydrophobicContact CD1-CD1 3.62Å; I99-I126 HydrophobicContact CG2-CD1 4.33Å
100	T	86.9	Confident	89.1	Confident	82 Å²	82	51.8 Å²	51.8	50%	0.503	31%	0.307	S	S	.	.			trans	-113.8	159.8	172.2	68.6	0	0	0	0	110.1	G102 N103 V104	T100-G102 PolarHBondContact O-N 2.71Å; T100-N103 PolarHBondContact N-OD1 3.17Å; T100-N103 PolarHBondContact O-N 3.02Å; T100-N103 VanDerWaalsContact O-N 3.16Å; T100-N103 PolarHBondContact O-OD1 3.11Å; T100-N103 PolarHBondContact OG1-N 2.88Å; T100-N103 PolarHBondContact OG1-ND2 2.96Å; T100-N103 PolarHBondContact OG1-OD1 3.37Å; T100-V104 PolarHBondContact O-N 2.73Å
101	A	82.8	Confident	89.2	Confident	96 Å²	96	47.8 Å²	47.8	79%	0.793	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.4	-179.9	0	0	0	0	0	113
102	G	83.3	Confident	89.2	Confident	63 Å²	63	52.4 Å²	52.4	65%	0.649	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-31.9	177.7	0	0	0	0	0	114.2	T100	T100-G102 PolarHBondContact O-N 2.71Å
103	N	88.4	Confident	89.2	Confident	45 Å²	45	56.7 Å²	56.7	24%	0.241	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-15	-173.3	75	10.1	0	0	0	114.1	T100 K105 H106 I107	T100-N103 PolarHBondContact N-OD1 3.17Å; T100-N103 PolarHBondContact O-N 3.02Å; T100-N103 VanDerWaalsContact O-N 3.16Å; T100-N103 PolarHBondContact O-OD1 3.11Å; T100-N103 PolarHBondContact OG1-N 2.88Å; T100-N103 PolarHBondContact OG1-ND2 2.96Å; T100-N103 PolarHBondContact OG1-OD1 3.37Å; N103-K105 VanDerWaalsContact C-N 3.3Å; N103-K105 PolarHBondContact O-N 3.13Å; N103-H106 WeakPolarHBondContact O-CB 3.44Å; N103-H106 PolarHBondContact O-N 3.4Å; N103-I107 HydrophobicContact CB-CD1 4.24Å; N103-I107 WeakPolarHBondContact O-CG1 3.36Å; N103-I107 PolarHBondContact O-N 3.44Å; N103-I107 WeakPolarHBondContact OD1-CD1 3.39Å
104	V	89.5	Confident	89.1	Confident	11 Å²	11	56.6 Å²	56.6	7%	0.067	32%	0.324	C	S	.	.	H	α-helix	trans	-55.1	-41	-173.5	67.1	0	0	0	0	113.3	I99 T100 I107 L108 C123 I126 M127	I99-V104 HydrophobicContact CG2-CB 3.58Å; I99-V104 HydrophobicContact CG2-CG2 3.66Å; T100-V104 PolarHBondContact O-N 2.73Å; V104-I107 PolarHBondContact O-N 2.86Å; V104-L108 VanDerWaalsContact O-CB 3.23Å; V104-L108 WeakPolarHBondContact O-CB 3.42Å; V104-L108 PolarHBondContact O-N 2.85Å; V104-C123 HydrophobicContact CG2-CB 4.14Å; V104-I126 HydrophobicContact CG2-CG2 4.44Å; V104-M127 HydrophobicContact CG1-CG 4.15Å; V104-M127 HydrophobicContact CG1-SD 4.33Å; V104-M127 HydrophobicContact CG2-CG 3.9Å; V104-M127 HydrophobicContact CG2-SD 4.14Å
105	K	89.6	Confident	89.3	Confident	136 Å²	136	57.2 Å²	57.2	59%	0.591	32%	0.323	S	S	*	.	H	α-helix	trans	-66.3	-39.5	178.3	-67.3	178.4	-177.8	172.5	0	111.8	N103 N109 M127	N103-K105 VanDerWaalsContact C-N 3.3Å; N103-K105 PolarHBondContact O-N 3.13Å; K105-N109 WeakPolarHBondContact O-CB 3.33Å; K105-N109 VanDerWaalsContact O-CG 3.27Å; K105-N109 PolarHBondContact O-N 2.92Å; K105-N109 VanDerWaalsContact O-N 3.09Å; K105-N109 PolarHBondContact O-ND2 2.87Å; K105-M127 HydrophobicContact CG-CE 3.98Å; K105-M127 HydrophobicContact CG-SD 4.32Å
106	H	90.1	Very high	89.6	Confident	99 Å²	99	55.9 Å²	55.9	46%	0.458	31%	0.313	S	S	.	.	H	α-helix	trans	-69.7	-43.4	178.6	-65.6	-65.8	0	0	0	111.5	A84 N103 N109 A110	A84-H106 HydrophobicContact CB-CB 4.43Å; N103-H106 WeakPolarHBondContact O-CB 3.44Å; N103-H106 PolarHBondContact O-N 3.4Å; H106-N109 PolarHBondContact O-N 2.96Å; H106-A110 WeakPolarHBondContact O-CB 3.25Å; H106-A110 PolarHBondContact O-N 3.26Å
107	I	91.6	Very high	89.7	Confident	2 Å²	2	57 Å²	57	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-44	176	-64.2	173.9	0	0	0	110.6	A84 A87 L97 I99 N103 V104 N109 A110 A111 I119	A84-I107 HydrophobicContact CB-CG1 4.33Å; A87-I107 HydrophobicContact CB-CD1 4.3Å; L97-I107 HydrophobicContact CD2-CG2 4.35Å; I99-I107 HydrophobicContact CG1-CD1 4.42Å; N103-I107 HydrophobicContact CB-CD1 4.24Å; N103-I107 WeakPolarHBondContact O-CG1 3.36Å; N103-I107 PolarHBondContact O-N 3.44Å; N103-I107 WeakPolarHBondContact OD1-CD1 3.39Å; V104-I107 PolarHBondContact O-N 2.86Å; I107-N109 PolarHBondContact O-N 3.38Å; I107-A110 PolarHBondContact O-N 2.87Å; I107-A111 VanDerWaalsContact O-CB 3.27Å; I107-A111 WeakPolarHBondContact O-CB 3.38Å; I107-A111 PolarHBondContact O-N 2.94Å; I107-I119 HydrophobicContact CG2-CG2 3.8Å
108	L	91.9	Very high	89.6	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-46.8	177.1	176.1	60.6	0	0	0	111.8	V104 A111 R112 V120 C123 L124 M127	V104-L108 VanDerWaalsContact O-CB 3.23Å; V104-L108 WeakPolarHBondContact O-CB 3.42Å; V104-L108 PolarHBondContact O-N 2.85Å; L108-A111 PolarHBondContact O-N 3.28Å; L108-R112 HydrophobicContact CD1-CG 4.41Å; L108-R112 WeakPolarHBondContact O-CG 3.35Å; L108-R112 PolarHBondContact O-N 2.94Å; L108-V120 HydrophobicContact CD1-CB 4.32Å; L108-V120 HydrophobicContact CD1-CG1 3.93Å; L108-V120 HydrophobicContact CD1-CG2 4.42Å; L108-C123 HydrophobicContact CB-CB 3.88Å; L108-C123 HydrophobicContact CD1-CB 3.82Å; L108-C123 HydrophobicContact CG-CB 4.3Å; L108-L124 HydrophobicContact CD1-CD2 4.48Å; L108-L124 HydrophobicContact CD1-CG 4.23Å; L108-L124 HydrophobicContact CD2-CD2 4.07Å; L108-M127 HydrophobicContact CD2-CE 4.47Å; L108-M127 HydrophobicContact CD2-SD 3.61Å
109	N	91.9	Very high	89.9	Confident	90 Å²	90	53 Å²	53	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-44.5	178.1	-73.4	-20.1	0	0	0	111.4	K105 H106 I107 R112 M113	K105-N109 WeakPolarHBondContact O-CB 3.33Å; K105-N109 VanDerWaalsContact O-CG 3.27Å; K105-N109 PolarHBondContact O-N 2.92Å; K105-N109 VanDerWaalsContact O-N 3.09Å; K105-N109 PolarHBondContact O-ND2 2.87Å; H106-N109 PolarHBondContact O-N 2.96Å; I107-N109 PolarHBondContact O-N 3.38Å; N109-R112 PolarHBondContact O-N 3.38Å; N109-M113 VanDerWaalsContact O-CG 3.28Å; N109-M113 WeakPolarHBondContact O-CG 3.46Å; N109-M113 PolarHBondContact O-N 3.48Å; N109-M113 VanDerWaalsContact O-N 3.09Å
110	A	92.1	Very high	90.1	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.033	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-45.4	176	0	0	0	0	0	112.2	V80 A84 I88 H106 I107 R112 M113 L114	V80-A110 HydrophobicContact CG1-CB 3.61Å; A84-A110 HydrophobicContact CB-CB 3.93Å; I88-A110 HydrophobicContact CD1-CB 3.64Å; H106-A110 WeakPolarHBondContact O-CB 3.25Å; H106-A110 PolarHBondContact O-N 3.26Å; I107-A110 PolarHBondContact O-N 2.87Å; A110-R112 VanDerWaalsContact C-N 3.35Å; A110-R112 PolarHBondContact O-N 3.26Å; A110-M113 PolarHBondContact O-N 3.05Å; A110-L114 WeakPolarHBondContact O-CB 3.41Å; A110-L114 WeakPolarHBondContact O-CG 3.37Å; A110-L114 PolarHBondContact O-N 3.37Å
111	A	93.1	Very high	90.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-37.4	179.3	0	0	0	0	0	112.5	I107 L108 E115 I116 I119 V120	I107-A111 VanDerWaalsContact O-CB 3.27Å; I107-A111 WeakPolarHBondContact O-CB 3.38Å; I107-A111 PolarHBondContact O-N 2.94Å; L108-A111 PolarHBondContact O-N 3.28Å; A111-E115 PolarHBondContact O-N 3.1Å; A111-I116 PolarHBondContact O-N 3.16Å; A111-I119 HydrophobicContact CB-CB 3.85Å; A111-I119 HydrophobicContact CB-CG2 3.59Å; A111-V120 HydrophobicContact CB-CG2 3.77Å
112	R	92.6	Very high	90.5	Very high	125 Å²	125	47.9 Å²	47.9	47%	0.472	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-47.3	172.6	-76.4	177.2	175.2	168.8	-2.3	111.5	L108 N109 A110 E115 V120	L108-R112 HydrophobicContact CD1-CG 4.41Å; L108-R112 WeakPolarHBondContact O-CG 3.35Å; L108-R112 PolarHBondContact O-N 2.94Å; N109-R112 PolarHBondContact O-N 3.38Å; A110-R112 VanDerWaalsContact C-N 3.35Å; A110-R112 PolarHBondContact O-N 3.26Å; R112-E115 PolarHBondContact O-N 2.91Å; R112-E115 VanDerWaalsContact O-N 3.17Å; R112-V120 HydrophobicContact CB-CG2 4.49Å; R112-V120 HydrophobicContact CG-CG1 4.21Å; R112-V120 HydrophobicContact CG-CG2 3.75Å
113	M	90.4	Very high	90.8	Very high	101 Å²	101	44.9 Å²	44.9	50%	0.498	22%	0.218	S	C	.	.	H	α-helix	trans	-65.9	-37.5	180	-66.5	-65.4	-71.4	0	0	112.5	F79 N109 A110 E115	F79-M113 HydrophobicContact CB-CE 4.29Å; F79-M113 HydrophobicContact CD2-CB 3.79Å; F79-M113 HydrophobicContact CD2-CE 3.58Å; F79-M113 HydrophobicContact CD2-CG 4.07Å; F79-M113 HydrophobicContact CE2-CB 3.58Å; F79-M113 HydrophobicContact CE2-CE 4.06Å; F79-M113 HydrophobicContact CE2-CG 4.37Å; F79-M113 HydrophobicContact CG-CE 3.91Å; N109-M113 VanDerWaalsContact O-CG 3.28Å; N109-M113 WeakPolarHBondContact O-CG 3.46Å; N109-M113 PolarHBondContact O-N 3.48Å; N109-M113 VanDerWaalsContact O-N 3.09Å; A110-M113 PolarHBondContact O-N 3.05Å; M113-E115 VanDerWaalsContact C-N 3.25Å; M113-E115 PolarHBondContact O-N 3.02Å
114	L	90.8	Very high	90.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5	176.2	-63.4	175.2	0	0	0	113.3	S56 Y58 F59 F79 L85 I88 A110 I116	S56-L114 PolarHBondContact OG-O 3.06Å; Y58-L114 WeakPolarHBondContact CB-O 3.27Å; Y58-L114 HydrophobicContact CD1-CD2 3.9Å; Y58-L114 HydrophobicContact CE1-CD2 4.29Å; F59-L114 HydrophobicContact CE2-CD1 4.37Å; F59-L114 HydrophobicContact CE2-CD2 3.87Å; F59-L114 HydrophobicContact CZ-CD2 3.8Å; F79-L114 HydrophobicContact CE2-CD2 4.42Å; L85-L114 HydrophobicContact CD1-CD1 3.96Å; I88-L114 HydrophobicContact CD1-CD1 4.03Å; I88-L114 HydrophobicContact CG2-CD1 4.25Å; A110-L114 WeakPolarHBondContact O-CB 3.41Å; A110-L114 WeakPolarHBondContact O-CG 3.37Å; A110-L114 PolarHBondContact O-N 3.37Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 HydrophobicContact CB-CD1 3.97Å; L114-I116 HydrophobicContact CB-CG1 3.98Å; L114-I116 HydrophobicContact CD1-CD1 4.42Å; L114-I116 PolarHBondContact O-N 3.02Å
115	E	92.4	Very high	90.7	Very high	59 Å²	59	49.9 Å²	49.9	28%	0.276	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	37	-179.3	-58.4	-176.1	179.3	0	0	114.5	K57 K61 A111 R112 M113 Q117	K57-E115 HydrophobicContact CB-CB 3.98Å; K57-E115 WeakPolarHBondContact CB-OE2 3.33Å; K61-E115 VanDerWaalsContact NZ-CD 3.29Å; K61-E115 IonicContact NZ-OE1 2.71Å; K61-E115 PolarHBondContact NZ-OE1 3.11Å; K61-E115 IonicContact NZ-OE2 3.44Å; K61-E115 PolarHBondContact NZ-OE2 3.37Å; A111-E115 PolarHBondContact O-N 3.1Å; R112-E115 PolarHBondContact O-N 2.91Å; R112-E115 VanDerWaalsContact O-N 3.17Å; M113-E115 VanDerWaalsContact C-N 3.25Å; M113-E115 PolarHBondContact O-N 3.02Å; E115-Q117 PolarHBondContact O-N 3.43Å
116	I	93.3	Very high	90.5	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	24%	0.235	C	C	.	.			trans	-95.9	88.3	-179.9	-51.9	175.9	0	0	0	110.2	I88 A111 L114 C118 I119 V120	I88-I116 HydrophobicContact CG2-CD1 3.36Å; A111-I116 PolarHBondContact O-N 3.16Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 HydrophobicContact CB-CD1 3.97Å; L114-I116 HydrophobicContact CB-CG1 3.98Å; L114-I116 HydrophobicContact CD1-CD1 4.42Å; L114-I116 PolarHBondContact O-N 3.02Å; I116-C118 PolarHBondContact O-N 3.41Å; I116-I119 HydrophobicContact CB-CD1 4.36Å; I116-I119 HydrophobicContact CD1-CD1 4.34Å; I116-I119 HydrophobicContact CG2-CB 4.17Å; I116-I119 HydrophobicContact CG2-CD1 3.68Å; I116-I119 HydrophobicContact CG2-CG1 3.71Å; I116-I119 PolarHBondContact O-N 3.44Å; I116-V120 WeakPolarHBondContact O-CG2 3.42Å; I116-V120 PolarHBondContact O-N 2.96Å
117	Q	89.3	Confident	90.1	Very high	104 Å²	104	46.5 Å²	46.5	49%	0.486	23%	0.23	S	C	.	.	H	α-helix	trans	-63.7	-36.5	-170	-64.7	-63.7	-37.1	0	0	114.5	E115 I119 V120 N121	E115-Q117 PolarHBondContact O-N 3.43Å; Q117-I119 VanDerWaalsContact C-N 3.35Å; Q117-I119 PolarHBondContact O-N 3.05Å; Q117-V120 PolarHBondContact O-N 3.15Å; Q117-N121 PolarHBondContact O-N 2.82Å
118	C	89.2	Confident	89.2	Confident	43 Å²	43	53.1 Å²	53.1	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-44.1	179.6	49.8	0	0	0	0	111.9	I116 N121 V122	I116-C118 PolarHBondContact O-N 3.41Å; C118-N121 PolarHBondContact O-N 2.96Å; C118-V122 WeakPolarHBondContact O-CG2 3.43Å; C118-V122 PolarHBondContact O-N 3.44Å
119	I	91.1	Very high	87.6	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-40.4	177.8	-59.7	179.3	0	0	0	110.8	I88 F91 L97 I107 A111 I116 Q117 N121 V122 C123	I88-I119 HydrophobicContact CG1-CD1 4.02Å; I88-I119 HydrophobicContact CG2-CD1 4.38Å; F91-I119 HydrophobicContact CD1-CD1 3.54Å; F91-I119 HydrophobicContact CD1-CG1 3.98Å; F91-I119 HydrophobicContact CE1-CD1 3.87Å; F91-I119 HydrophobicContact CE1-CG1 3.83Å; F91-I119 HydrophobicContact CG-CD1 4.09Å; F91-I119 HydrophobicContact CG-CG1 4.48Å; F91-I119 HydrophobicContact CZ-CG1 4.22Å; L97-I119 HydrophobicContact CD2-CB 4.3Å; L97-I119 HydrophobicContact CD2-CD1 4.27Å; L97-I119 HydrophobicContact CD2-CG1 4.02Å; L97-I119 HydrophobicContact CD2-CG2 3.58Å; I107-I119 HydrophobicContact CG2-CG2 3.8Å; A111-I119 HydrophobicContact CB-CB 3.85Å; A111-I119 HydrophobicContact CB-CG2 3.59Å; I116-I119 HydrophobicContact CB-CD1 4.36Å; I116-I119 HydrophobicContact CD1-CD1 4.34Å; I116-I119 HydrophobicContact CG2-CB 4.17Å; I116-I119 HydrophobicContact CG2-CD1 3.68Å; I116-I119 HydrophobicContact CG2-CG1 3.71Å; I116-I119 PolarHBondContact O-N 3.44Å; Q117-I119 VanDerWaalsContact C-N 3.35Å; Q117-I119 PolarHBondContact O-N 3.05Å; I119-N121 VanDerWaalsContact C-N 3.32Å; I119-N121 PolarHBondContact O-N 2.88Å; I119-V122 PolarHBondContact O-N 2.92Å; I119-C123 WeakPolarHBondContact O-CB 3.49Å; I119-C123 PolarHBondContact O-N 2.82Å; I119-C123 PolarHBondContact O-SG 3.44Å; I119-C123 VanDerWaalsContact O-SG 3.34Å
120	V	91.1	Very high	85.6	Confident	10 Å²	10	57.7 Å²	57.7	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-45.5	178.1	173	0	0	0	0	111.3	L108 A111 R112 I116 Q117 C123 L124	L108-V120 HydrophobicContact CD1-CB 4.32Å; L108-V120 HydrophobicContact CD1-CG1 3.93Å; L108-V120 HydrophobicContact CD1-CG2 4.42Å; A111-V120 HydrophobicContact CB-CG2 3.77Å; R112-V120 HydrophobicContact CB-CG2 4.49Å; R112-V120 HydrophobicContact CG-CG1 4.21Å; R112-V120 HydrophobicContact CG-CG2 3.75Å; I116-V120 WeakPolarHBondContact O-CG2 3.42Å; I116-V120 PolarHBondContact O-N 2.96Å; Q117-V120 PolarHBondContact O-N 3.15Å; V120-C123 PolarHBondContact O-N 3.15Å; V120-L124 HydrophobicContact CG1-CD1 4.03Å; V120-L124 WeakPolarHBondContact O-CG 2.91Å; V120-L124 PolarHBondContact O-N 3.07Å
121	N	89.8	Confident	83.5	Confident	82 Å²	82	61.8 Å²	61.8	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-47.5	178.9	-67.9	-6.5	0	0	0	111.5	Q117 C118 I119 C123 L124 E125	Q117-N121 PolarHBondContact O-N 2.82Å; C118-N121 PolarHBondContact O-N 2.96Å; I119-N121 VanDerWaalsContact C-N 3.32Å; I119-N121 PolarHBondContact O-N 2.88Å; N121-C123 PolarHBondContact O-N 3.36Å; N121-L124 PolarHBondContact O-N 3.43Å; N121-E125 WeakPolarHBondContact O-CG 3.47Å; N121-E125 PolarHBondContact O-N 3.17Å
122	V	89.1	Confident	81.1	Confident	20 Å²	20	69.6 Å²	69.6	12%	0.121	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-44.4	178.7	172.7	0	0	0	0	111.4	I99 C118 I119 L124 E125 I126 F226	I99-V122 HydrophobicContact CD1-CG1 3.91Å; C118-V122 WeakPolarHBondContact O-CG2 3.43Å; C118-V122 PolarHBondContact O-N 3.44Å; I119-V122 PolarHBondContact O-N 2.92Å; V122-L124 VanDerWaalsContact C-N 3.34Å; V122-L124 PolarHBondContact O-N 3.47Å; V122-E125 PolarHBondContact O-N 3.22Å; V122-I126 HydrophobicContact CG1-CD1 3.89Å; V122-I126 WeakPolarHBondContact O-CD1 3.38Å; V122-I126 VanDerWaalsContact O-CG1 3.29Å; V122-I126 WeakPolarHBondContact O-CG1 3.17Å; V122-I126 PolarHBondContact O-N 2.88Å; V122-I126 VanDerWaalsContact O-N 3.16Å; V122-F226 HydrophobicContact CG1-CD2 4.26Å; V122-F226 HydrophobicContact CG1-CE2 3.66Å; V122-F226 HydrophobicContact CG1-CZ 4.17Å; V122-F226 HydrophobicContact CG2-CD2 4.26Å; V122-F226 HydrophobicContact CG2-CE1 4.35Å; V122-F226 HydrophobicContact CG2-CE2 4.05Å; V122-F226 HydrophobicContact CG2-CZ 4.09Å
123	C	90.1	Very high	78.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-65.4	-35.8	178	-70.3	0	0	0	0	112.8	V104 L108 I119 V120 N121 I126 M127	V104-C123 HydrophobicContact CG2-CB 4.14Å; L108-C123 HydrophobicContact CB-CB 3.88Å; L108-C123 HydrophobicContact CD1-CB 3.82Å; L108-C123 HydrophobicContact CG-CB 4.3Å; I119-C123 WeakPolarHBondContact O-CB 3.49Å; I119-C123 PolarHBondContact O-N 2.82Å; I119-C123 PolarHBondContact O-SG 3.44Å; I119-C123 VanDerWaalsContact O-SG 3.34Å; V120-C123 PolarHBondContact O-N 3.15Å; N121-C123 PolarHBondContact O-N 3.36Å; C123-I126 PolarHBondContact O-N 2.95Å; C123-M127 WeakPolarHBondContact O-CB 3.07Å; C123-M127 VanDerWaalsContact O-CG 3.28Å; C123-M127 WeakPolarHBondContact O-CG 3.28Å; C123-M127 PolarHBondContact O-N 3.3Å; C123-M127 VanDerWaalsContact O-N 3.12Å
124	L	88.8	Confident	76.4	Confident	50 Å²	50	66 Å²	66	26%	0.262	42%	0.422	S	S	.	.	H	α-helix	trans	-68.6	-42.3	176	-74.3	174	0	0	0	112	L108 V120 N121 V122 I126 M127 E128	L108-L124 HydrophobicContact CD1-CD2 4.48Å; L108-L124 HydrophobicContact CD1-CG 4.23Å; L108-L124 HydrophobicContact CD2-CD2 4.07Å; V120-L124 HydrophobicContact CG1-CD1 4.03Å; V120-L124 WeakPolarHBondContact O-CG 2.91Å; V120-L124 PolarHBondContact O-N 3.07Å; N121-L124 PolarHBondContact O-N 3.43Å; V122-L124 VanDerWaalsContact C-N 3.34Å; V122-L124 PolarHBondContact O-N 3.47Å; L124-I126 PolarHBondContact O-N 2.61Å; L124-M127 PolarHBondContact O-N 2.91Å; L124-M127 VanDerWaalsContact O-N 3.13Å; L124-E128 PolarHBondContact O-N 2.94Å
125	E	87.6	Confident	74.2	Confident	110 Å²	110	74.7 Å²	74.7	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-59.5	-35	174.9	-74.1	-176	-170.2	0	0	112.8	N121 V122 R224	N121-E125 WeakPolarHBondContact O-CG 3.47Å; N121-E125 PolarHBondContact O-N 3.17Å; V122-E125 PolarHBondContact O-N 3.22Å; E125-R224 IonicContact OE2-NH1 3.91Å
126	I	84.8	Confident	72.1	Confident	91 Å²	91	79.7 Å²	79.7	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-74.9	-33.3	177.8	-66.1	165.5	0	0	0	111.4	I99 V104 V122 C123 L124	I99-I126 HydrophobicContact CB-CD1 4.39Å; I99-I126 HydrophobicContact CD1-CD1 3.62Å; I99-I126 HydrophobicContact CG2-CD1 4.33Å; V104-I126 HydrophobicContact CG2-CG2 4.44Å; V122-I126 HydrophobicContact CG1-CD1 3.89Å; V122-I126 WeakPolarHBondContact O-CD1 3.38Å; V122-I126 VanDerWaalsContact O-CG1 3.29Å; V122-I126 WeakPolarHBondContact O-CG1 3.17Å; V122-I126 PolarHBondContact O-N 2.88Å; V122-I126 VanDerWaalsContact O-N 3.16Å; C123-I126 PolarHBondContact O-N 2.95Å; L124-I126 PolarHBondContact O-N 2.61Å
127	M	80.4	Confident	69.6	Low	74 Å²	74	86.4 Å²	86.4	37%	0.365	52%	0.522	S	S	.	.	H	α-helix	trans	-83.1	-18.3	-177.9	-73.5	-178.1	62.6	0	0	114.2	V104 K105 L108 C123 L124 P129	V104-M127 HydrophobicContact CG1-CG 4.15Å; V104-M127 HydrophobicContact CG1-SD 4.33Å; V104-M127 HydrophobicContact CG2-CG 3.9Å; V104-M127 HydrophobicContact CG2-SD 4.14Å; K105-M127 HydrophobicContact CG-CE 3.98Å; K105-M127 HydrophobicContact CG-SD 4.32Å; L108-M127 HydrophobicContact CD2-CE 4.47Å; L108-M127 HydrophobicContact CD2-SD 3.61Å; C123-M127 WeakPolarHBondContact O-CB 3.07Å; C123-M127 VanDerWaalsContact O-CG 3.28Å; C123-M127 WeakPolarHBondContact O-CG 3.28Å; C123-M127 PolarHBondContact O-N 3.3Å; C123-M127 VanDerWaalsContact O-N 3.12Å; L124-M127 PolarHBondContact O-N 2.91Å; L124-M127 VanDerWaalsContact O-N 3.13Å; M127-P129 WeakPolarHBondContact O-CD 3.47Å
128	E	74.3	Confident	67.6	Low	140 Å²	140	88.3 Å²	88.3	65%	0.654	54%	0.535	S	S	*	.			trans	-106.5	80.4	177.8	-67	-177.4	-179.8	0	0	111.5	L124 G130	L124-E128 PolarHBondContact O-N 2.94Å; E128-G130 PolarHBondContact O-N 2.86Å
129	P	56.7	Low	65.6	Low	120 Å²	120	95.1 Å²	95.1	78%	0.779	56%	0.56	S	S	*	*			trans	-75.4	93.4	166.5	31.2	-30.6	0	0	0	108.9	M127	M127-P129 WeakPolarHBondContact O-CD 3.47Å
130	G	51.3	Low	63.4	Low	74 Å²	74	102.5 Å²	102.5	76%	0.763	60%	0.595	S	S	*	*			trans	64.6	82.1	159.4	0	0	0	0	0	116.8	E128	E128-G130 PolarHBondContact O-N 2.86Å
131	G	47.3	Very low	61.2	Low	90 Å²	90	107.9 Å²	107.9	93%	0.928	62%	0.623	S	S	*	*			trans	-91.6	89.7	154.6	0	0	0	0	0	110.4
132	D	42.9	Very low	59.1	Low	163 Å²	163	110 Å²	110	87%	0.872	64%	0.635	S	S	*	*			trans	-120.9	138.1	156.8	-172	14.6	0	0	0	108.4
133	G	46.3	Very low	56.9	Low	73 Å²	73	115.3 Å²	115.3	75%	0.753	66%	0.662	S	S	*	*			trans	-77.5	156.1	-155.3	0	0	0	0	0	116.4
134	G	37	Very low	54.4	Low	79 Å²	79	121.9 Å²	121.9	81%	0.814	70%	0.697	S	S	*	*			trans	-178.7	117.4	165.2	0	0	0	0	0	110
135	E	45.7	Very low	52.4	Low	181 Å²	181	126.7 Å²	126.7	85%	0.846	72%	0.723	S	S	*	*			trans	-67.3	156	176	-71.5	169.6	148.6	0	0	112.8
136	E	47.4	Very low	50.1	Low	164 Å²	164	131 Å²	131	77%	0.766	74%	0.743	S	S	*	*			trans	70.6	109.1	152.4	-72.6	176.2	-167.3	0	0	119.8
137	D	41.8	Very low	48.1	Very low	144 Å²	144	133.8 Å²	133.8	77%	0.77	76%	0.759	S	S	*	*				149	148.3	98	-90.8	-14.4	0	0	0	114.9
138	D	47.8	Very low	45.9	Very low	144 Å²	144	137.8 Å²	137.8	77%	0.77	78%	0.782	S	S	*	*			trans	-53.3	145.5	-172.6	-57.2	-53	0	0	0	117.4
139	K	46.8	Very low	44.3	Very low	187 Å²	187	137.5 Å²	137.5	81%	0.813	79%	0.785	S	S	*	*				163.1	124.4	110.4	-92	176.8	-179.1	173.5	0	114.8
140	E	45.1	Very low	43.6	Very low	157 Å²	157	138 Å²	138	73%	0.734	78%	0.781	S	S	*	*				36.5	121.5	124.1	-78.5	177.9	178.7	0	0	121.3
141	D	44.7	Very low	43.6	Very low	123 Å²	123	142.2 Å²	142.2	66%	0.658	78%	0.781	S	S	*	*				104.5	124.5	123.7	-62.9	-8.5	0	0	0	121.5
142	D	44.8	Very low	43.2	Very low	127 Å²	127	147.5 Å²	147.5	68%	0.679	78%	0.781	S	S	*	*			trans	79.8	110.1	134.8	-63.2	-9.8	0	0	0	122
143	D	42.7	Very low	42.9	Very low	131 Å²	131	147 Å²	147	70%	0.701	78%	0.779	S	S	*	*				90.6	136.8	116.8	-68	-18.6	0	0	0	122.7
144	D	38.8	Very low	42.7	Very low	138 Å²	138	152.7 Å²	152.7	74%	0.738	79%	0.786	S	S	*	*			trans	85.5	96.3	149.8	-61.1	-21.6	0	0	0	120.2
145	D	45.8	Very low	42.7	Very low	151 Å²	151	156.6 Å²	156.6	81%	0.807	78%	0.783	S	S	*	*				27	125.3	118.6	-64.5	-22.9	0	0	0	118.6
146	E	38.8	Very low	42.5	Very low	199 Å²	199	156.4 Å²	156.4	93%	0.93	78%	0.782	S	S	*	*				-167.5	129.8	116.4	-101.8	173.5	-164.1	0	0	110
147	D	43.5	Very low	42.1	Very low	151 Å²	151	157.6 Å²	157.6	81%	0.807	79%	0.788	S	S	*	*			trans	-61.7	151.3	171.9	-62.1	-62.1	0	0	0	112.2
148	D	35.2	Very low	41.9	Very low	157 Å²	157	154.6 Å²	154.6	84%	0.84	77%	0.769	S	S	*	*			trans	-177.6	100.7	131	-96.5	-19	0	0	0	110.4
149	D	40.8	Very low	41.5	Very low	135 Å²	135	157.5 Å²	157.5	72%	0.722	78%	0.778	S	S	*	*			trans	28.6	129.4	130.1	-70.5	-20.2	0	0	0	122.3
150	D	40.4	Very low	41.1	Very low	130 Å²	130	152 Å²	152	70%	0.695	76%	0.755	S	S	*	*			trans	101.8	111.5	130.1	-67.3	-18.7	0	0	0	122.6
151	E	52.1	Low	41.2	Very low	163 Å²	163	154.2 Å²	154.2	76%	0.762	77%	0.765	S	S	*	*			trans	64.9	114.4	131	-61.1	-170.9	168.7	0	0	120.2
152	E	37.7	Very low	41	Very low	200 Å²	200	152.4 Å²	152.4	94%	0.935	75%	0.753	S	S	*	*			trans	-133.4	125.5	147.5	-75.8	-165.7	170	0	0	112.1
153	D	36.8	Very low	41.1	Very low	154 Å²	154	155.7 Å²	155.7	82%	0.824	76%	0.764	S	S	*	*			trans	-64.1	145.7	-176.8	-71	-59.8	0	0	0	114.8
154	E	42.9	Very low	40.8	Very low	192 Å²	192	154.8 Å²	154.8	90%	0.897	76%	0.76	S	S	*	*			trans	-79.4	127.9	172.7	-62.6	178.2	166.8	0	0	111.3
155	E	37.9	Very low	41.2	Very low	161 Å²	161	156.2 Å²	156.2	75%	0.752	77%	0.767	S	S	*	*			trans	-104.5	115.9	170	-72.7	-164.1	167.8	0	0	111.8
156	E	40.6	Very low	40.8	Very low	176 Å²	176	156 Å²	156	82%	0.822	77%	0.766	S	S	*	*			trans	-74.6	129.2	171.8	-63	177	156.8	0	0	111.5
157	E	38.3	Very low	41	Very low	189 Å²	189	152.7 Å²	152.7	88%	0.883	76%	0.755	S	S	*	*			trans	-91	113.7	169.6	-73.8	-166.4	179.5	0	0	111.1
158	E	38.1	Very low	40.5	Very low	81 Å²	81	153 Å²	153	38%	0.379	76%	0.756	S	S	.	*			trans	-106.7	134.1	167.9	-66	174.1	124.2	0	0	111	E160 K379	E158-E160 PolarHBondContact O-N 3.39Å; E158-K379 WeakPolarHBondContact OE1-CE 3.49Å; E158-K379 IonicContact OE1-NZ 3.02Å; E158-K379 PolarHBondContact OE1-NZ 2.82Å; E158-K379 WeakPolarHBondContact OE2-CE 3.17Å; E158-K379 IonicContact OE2-NZ 3.54Å; E158-K379 PolarHBondContact OE2-NZ 3.34Å
159	E	38.9	Very low	40.8	Very low	205 Å²	205	151.2 Å²	151.2	96%	0.958	75%	0.751	S	S	*	*			trans	-76.4	112.6	169.4	-63.4	-171.8	162.9	0	0	110.1
160	E	39	Very low	40.6	Very low	73 Å²	73	153 Å²	153	34%	0.341	76%	0.755	S	S	.	*			trans	-114.8	121.6	166.2	-72.7	-178.1	172.6	0	0	109.3	E158 E162 K379 R382	E158-E160 PolarHBondContact O-N 3.39Å; E160-E162 HydrophobicContact CB-CG 4.3Å; E160-E162 PolarHBondContact O-N 2.97Å; E160-K379 WeakPolarHBondContact OE1-CD 3.35Å; E160-K379 IonicContact OE1-NZ 2.72Å; E160-K379 PolarHBondContact OE1-NZ 3.24Å; E160-R382 IonicContact OE1-NH2 2.8Å; E160-R382 PolarHBondContact OE1-NH2 3.48Å; E160-R382 VanDerWaalsContact OE1-NH2 3.15Å; E160-R382 IonicContact OE2-CZ 3.72Å; E160-R382 IonicContact OE2-NH2 2.75Å; E160-R382 PolarHBondContact OE2-NH2 3.11Å
161	E	47	Very low	40.2	Very low	202 Å²	202	153.5 Å²	153.5	94%	0.944	76%	0.758	S	S	*	*			trans	-73.2	97.6	162.1	-65.4	-172.1	165.8	0	0	107.9
162	E	40.6	Very low	39.1	Very low	86 Å²	86	155.1 Å²	155.1	40%	0.402	76%	0.763	S	S	.	*			trans	-103.4	122.2	167.7	-63.2	-136.2	121.4	0	0	109.9	E160 D164 K372	E160-E162 HydrophobicContact CB-CG 4.3Å; E160-E162 PolarHBondContact O-N 2.97Å; E162-D164 PolarHBondContact O-N 3.12Å; E162-K372 IonicContact OE1-NZ 3.63Å
163	E	47.6	Very low	38.9	Very low	195 Å²	195	149.5 Å²	149.5	91%	0.911	75%	0.751	S	S	*	*			trans	-75.5	91.8	161.7	-70	-176.7	158.1	0	0	107.9
164	D	37	Very low	38.7	Very low	113 Å²	113	149 Å²	149	60%	0.604	75%	0.748	S	S	*	*			trans	-97.2	103.2	168.3	-70.2	-33.3	0	0	0	109.1	E162 D166	E162-D164 PolarHBondContact O-N 3.12Å; D164-D166 PolarHBondContact O-N 2.87Å
165	D	45.3	Very low	38.3	Very low	168 Å²	168	149.3 Å²	149.3	90%	0.898	75%	0.75	S	S	*	*			trans	-69.6	94.9	157.9	-86.1	-43	0	0	0	107.8
166	D	37.6	Very low	38	Very low	145 Å²	145	149.5 Å²	149.5	78%	0.775	75%	0.75	S	S	*	*			trans	-128.2	125.5	163.7	-85.8	-37.7	0	0	0	111.1	D164 D168	D164-D166 PolarHBondContact O-N 2.87Å; D166-D168 PolarHBondContact O-N 3.24Å
167	D	42.8	Very low	37.5	Very low	131 Å²	131	147.6 Å²	147.6	70%	0.701	75%	0.746	S	S	*	*			trans	-74.1	95.3	-176.2	-178.4	15.1	0	0	0	111	T169	D167-T169 PolarHBondContact OD1-N 3.09Å; D167-T169 PolarHBondContact OD1-OG1 3.45Å
168	D	33.4	Very low	37.1	Very low	157 Å²	157	145.9 Å²	145.9	84%	0.84	74%	0.742	S	S	*	*			trans	-107.9	83	157.2	-79.1	-36.8	0	0	0	108.4	D166 E170	D166-D168 PolarHBondContact O-N 3.24Å; D168-E170 PolarHBondContact O-N 2.98Å
169	T	41.7	Very low	36.8	Very low	120 Å²	120	147.5 Å²	147.5	74%	0.736	76%	0.759	S	S	*	*			trans	-64.8	94.3	163	-64.8	0	0	0	0	108.9	D167	D167-T169 PolarHBondContact OD1-N 3.09Å; D167-T169 PolarHBondContact OD1-OG1 3.45Å
170	E	37.4	Very low	36.6	Very low	172 Å²	172	145.2 Å²	145.2	80%	0.804	75%	0.754	S	S	*	*			trans	-103	112.6	157.6	-70.3	-149.3	165.3	0	0	110.6	D168 F172	D168-E170 PolarHBondContact O-N 2.98Å; E170-F172 PolarHBondContact O-N 3.39Å
171	D	31.3	Very low	36.5	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	77%	0.768	S	S	*	*			trans	-59.6	107.8	174.6	-170.1	17.2	0	0	0	110.7
172	F	29.5	Very low	36	Very low	196 Å²	196	144.8 Å²	144.8	86%	0.86	76%	0.76	S	S	*	*			trans	-118.4	98.9	157.2	-103.2	-87.4	0	0	0	108.5	E170	E170-F172 PolarHBondContact O-N 3.39Å
173	A	33.4	Very low	35.7	Very low	82 Å²	82	148.1 Å²	148.1	68%	0.678	78%	0.781	S	S	*	*			trans	-52.2	149.4	175.2	0	0	0	0	0	113.3
174	D	32.2	Very low	34.9	Very low	143 Å²	143	146 Å²	146	77%	0.765	77%	0.774	S	S	*	*			trans	-46	137.9	-171.4	-61	-63.4	0	0	0	117.2
175	Q	34.1	Very low	34.5	Very low	200 Å²	200	145.2 Å²	145.2	94%	0.935	78%	0.778	S	S	*	*			trans	-147.1	96	139.5	-114.3	164.3	61.9	0	0	110.4
176	E	32.4	Very low	33.7	Very low	164 Å²	164	142.8 Å²	142.8	77%	0.766	77%	0.773	S	S	*	*			trans	-79	123.2	167.9	-62.5	-167	148.1	0	0	110.9
177	N	29.6	Very low	33.4	Very low	136 Å²	136	143.7 Å²	143.7	73%	0.727	77%	0.772	S	S	*	*				167.2	131.3	118.2	-97.8	-66.6	0	0	0	113.7
178	L	29.1	Very low	32.8	Very low	154 Å²	154	146 Å²	146	81%	0.806	78%	0.778	S	S	*	*			trans	83	153.6	153.3	-62.3	156.9	0	0	0	118.9
179	P	32.4	Very low	32.6	Very low	114 Å²	114	144.3 Å²	144.3	74%	0.74	78%	0.779	S	S	*	*				-120.6	177.9	-72.2	28.5	-8	0	0	0	112.5
180	D	34.8	Very low	32.4	Very low	157 Å²	157	143.7 Å²	143.7	84%	0.84	78%	0.777	S	S	*	*			trans	-36.4	139.4	175.1	-93.5	-36.1	0	0	0	115.5
181	P	37.3	Very low	31.9	Very low	99 Å²	99	140.4 Å²	140.4	64%	0.643	77%	0.773	S	S	*	*			trans	-110.4	96.4	152.3	30.6	-16.8	0	0	0	110.5
182	Q	36.2	Very low	31.7	Very low	168 Å²	168	142.4 Å²	142.4	79%	0.785	78%	0.775	S	S	*	*			trans	-68.8	143.7	137	-74.3	178.3	-27.4	0	0	107.4
183	D	33.7	Very low	31.6	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	77%	0.768	S	S	*	*			trans	71.6	81.6	175.4	-54.1	-25.9	0	0	0	117
184	I	31.1	Very low	31.2	Very low	150 Å²	150	142.5 Å²	142.5	77%	0.769	78%	0.777	S	S	*	*			trans	-101	87.6	152	-57	175.2	0	0	0	107.6	C186	I184-C186 PolarHBondContact O-N 3.42Å
185	S	28.7	Very low	31	Very low	97 Å²	97	144.1 Å²	144.1	68%	0.678	78%	0.78	S	S	*	*			trans	-64.6	109.3	164.8	163.8	0	0	0	0	109.3	H187	S185-H187 PolarHBondContact O-N 2.81Å; S185-H187 VanDerWaalsContact O-N 3.14Å
186	C	29.1	Very low	30.7	Very low	117 Å²	117	141.8 Å²	141.8	79%	0.791	77%	0.773	S	S	*	*			trans	-77.8	89.1	168.5	177.5	0	0	0	0	109.4	I184	I184-C186 PolarHBondContact O-N 3.42Å
187	H	31.1	Very low	30.4	Very low	163 Å²	163	139.4 Å²	139.4	76%	0.755	77%	0.77	S	S	*	*			trans	-147.6	135	162.4	-85.5	-63.2	0	0	0	112	S185	S185-H187 PolarHBondContact O-N 2.81Å; S185-H187 VanDerWaalsContact O-N 3.14Å
188	Q	31.1	Very low	30.2	Very low	180 Å²	180	140 Å²	140	84%	0.841	77%	0.768	S	S	*	*			trans	103.7	108.3	158.2	-56.7	-177.6	21.7	0	0	118
189	S	28.6	Very low	30	Very low	121 Å²	121	141.2 Å²	141.2	85%	0.846	77%	0.767	S	S	*	*				-97.1	150.1	127.6	-59.8	0	0	0	0	107.8
190	P	37.3	Very low	29.7	Very low	107 Å²	107	140.2 Å²	140.2	70%	0.695	77%	0.768	S	S	*	*				-152.9	146.9	99.8	36.2	-16.9	0	0	0	117.8
191	S	26.4	Very low	29.4	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	77%	0.769	S	S	*	*				86.2	140.1	129.4	73.5	0	0	0	0	124.5
192	K	28	Very low	28.8	Very low	183 Å²	183	142.6 Å²	142.6	80%	0.796	77%	0.768	S	S	*	*			trans	92	102.1	150.7	-75.6	174.9	-178.4	-179.7	0	119.1
193	T	27	Very low	28.3	Very low	116 Å²	116	141.5 Å²	141.5	71%	0.712	77%	0.768	S	S	*	*				76.1	120.1	87.4	56.4	0	0	0	0	114.8
194	D	25.7	Very low	28.1	Very low	163 Å²	163	140.5 Å²	140.5	87%	0.872	77%	0.767	S	S	*	*				-171.4	150.2	123.5	-89.2	-21.6	0	0	0	113.3
195	H	26.4	Very low	28.1	Very low	177 Å²	177	138.7 Å²	138.7	82%	0.819	77%	0.765	S	S	*	*			trans	-90.2	173.7	-169.5	-92.7	-87.8	0	0	0	114.5
196	L	28.7	Very low	28.1	Very low	152 Å²	152	144.9 Å²	144.9	80%	0.796	77%	0.774	S	S	*	*			trans	97.4	137	153.9	-49.9	178.7	0	0	0	115.3
197	T	25.5	Very low	27.8	Very low	114 Å²	114	147.3 Å²	147.3	70%	0.699	78%	0.779	S	S	*	*			cis	-172.4	144.5	2.1	16.2	0	0	0	0	109.4
198	E	26	Very low	27.6	Very low	147 Å²	147	148.5 Å²	148.5	69%	0.687	78%	0.782	S	S	*	*			trans	55	122.1	140	-75.2	-164.6	129.8	0	0	125.6
199	K	25.5	Very low	27.7	Very low	180 Å²	180	145.9 Å²	145.9	78%	0.783	78%	0.78	S	S	*	*				79.3	114.1	123.7	-75	176.4	173.4	156.3	0	122
200	A	26.2	Very low	27.5	Very low	93 Å²	93	146.7 Å²	146.7	77%	0.769	78%	0.775	S	S	*	*			trans	173.1	134.6	133.7	0	0	0	0	0	107
201	Y	27	Very low	26.9	Very low	218 Å²	218	146.3 Å²	146.3	86%	0.855	78%	0.775	S	S	*	*			cis	-158.9	150.6	5.2	-130.1	-101.4	0	0	0	106.3
202	S	25.7	Very low	26.7	Very low	88 Å²	88	151.3 Å²	151.3	62%	0.615	78%	0.784	S	S	*	*			trans	-65.4	152.4	168.8	51.6	0	0	0	0	111.7
203	D	25.9	Very low	26.5	Very low	146 Å²	146	151.3 Å²	151.3	78%	0.781	79%	0.787	S	S	*	*				177.3	121.9	116.9	-83.7	-9.8	0	0	0	111.6
204	T	28.3	Very low	26.4	Very low	134 Å²	134	150.6 Å²	150.6	82%	0.822	79%	0.793	S	S	*	*			trans	-125.1	146.7	154.9	52.8	0	0	0	0	105.8
205	P	33.1	Very low	26.2	Very low	112 Å²	112	146.6 Å²	146.6	73%	0.727	79%	0.791	S	S	*	*				-151.9	148.3	97.8	34.8	-15.8	0	0	0	116.8
206	R	27.3	Very low	26.8	Very low	228 Å²	228	143.6 Å²	143.6	86%	0.86	79%	0.789	S	S	*	*			trans	52.1	122	135.7	-69.2	179.2	164.2	154.3	-3.9	120.5
207	D	23.1	Very low	27.5	Very low	167 Å²	167	142.8 Å²	142.8	89%	0.893	79%	0.793	S	S	*	*				-155.9	135.9	115.3	-85.9	-35.5	0	0	0	109.7
208	F	26.9	Very low	27.5	Very low	189 Å²	189	141 Å²	141	83%	0.829	80%	0.798	S	S	*	*			trans	-119.7	152.3	170.5	-94.5	-80.2	0	0	0	106.7
209	P	33.2	Very low	27.7	Very low	124 Å²	124	142.3 Å²	142.3	81%	0.805	80%	0.803	S	S	*	*				-143.5	160.5	94.3	31.9	-12.4	0	0	0	116.4
210	D	24.3	Very low	27.8	Very low	138 Å²	138	141.3 Å²	141.3	74%	0.738	81%	0.806	S	S	*	*			trans	-41.4	161.9	-178.5	-62	-51.1	0	0	0	121.7
211	S	24.2	Very low	27.8	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	80%	0.797	S	S	*	*			trans	100.9	108.1	140.9	-37.8	0	0	0	0	117.6
212	F	23.5	Very low	27.9	Very low	209 Å²	209	135.2 Å²	135.2	92%	0.917	79%	0.792	S	S	*	*				-174.9	117.4	112.1	-101.5	-76.3	0	0	0	110.5
213	Q	22.6	Very low	28.1	Very low	183 Å²	183	138.3 Å²	138.3	86%	0.855	80%	0.8	S	S	*	*			trans	-70.6	131.8	158.4	-98.9	172.4	-31.5	0	0	108.5
214	A	25.8	Very low	28.7	Very low	100 Å²	100	139 Å²	139	83%	0.826	79%	0.792	S	S	*	*				93.5	136.4	93.6	0	0	0	0	0	113
215	G	20.5	Very low	28.7	Very low	80 Å²	80	139.8 Å²	139.8	83%	0.825	79%	0.791	S	S	*	*			trans	165	56.6	176.7	0	0	0	0	0	113.5
216	S	39.2	Very low	28.9	Very low	114 Å²	114	138 Å²	138	80%	0.797	77%	0.772	S	S	*	*			trans	-82.7	159.5	148.1	-39.5	0	0	0	0	106.6
217	P	44	Very low	29.5	Very low	135 Å²	135	130.1 Å²	130.1	88%	0.877	75%	0.752	S	S	*	*				-162.1	165.1	79	38.2	-16.2	0	0	0	118.3
218	G	24.2	Very low	30.3	Very low	77 Å²	77	124.8 Å²	124.8	79%	0.794	72%	0.723	S	S	*	*			trans	122.2	139.7	142	0	0	0	0	0	115.3
219	H	31.2	Very low	30.9	Very low	174 Å²	174	121.3 Å²	121.3	81%	0.806	71%	0.71	S	S	*	*			cis	-164.3	175.6	-28.5	-173.6	69.6	0	0	0	106.1
220	L	27.9	Very low	31.3	Very low	159 Å²	159	118.6 Å²	118.6	83%	0.832	69%	0.694	S	S	*	*			trans	96.7	127.5	174.7	-59.1	164.2	0	0	0	114.3
221	G	25.4	Very low	32.4	Very low	56 Å²	56	114.7 Å²	114.7	58%	0.577	67%	0.672	S	S	*	*			cis	-173.4	122.2	-4.6	0	0	0	0	0	104	I223	G221-I223 PolarHBondContact O-N 2.98Å
222	V	29.5	Very low	33.3	Very low	126 Å²	126	116.3 Å²	116.3	76%	0.764	67%	0.672	S	S	*	*			trans	-79.1	98	-172	-174.6	0	0	0	0	108.6	R224	V222-R224 HydrophobicContact CG1-CG 3.78Å; V222-R224 PolarHBondContact O-N 3.28Å
223	I	30	Very low	34.2	Very low	153 Å²	153	115.5 Å²	115.5	79%	0.785	66%	0.663	S	S	*	*			trans	-63.6	114.2	161.7	-59.5	173	0	0	0	106.6	G221	G221-I223 PolarHBondContact O-N 2.98Å
224	R	38.6	Very low	35	Very low	160 Å²	160	113.8 Å²	113.8	60%	0.604	66%	0.656	S	S	*	*			trans	-104.4	111.8	170.9	-74.9	-169.2	161.1	167.2	-1.8	108.9	E125 V222 F226	E125-R224 IonicContact OE2-NH1 3.91Å; V222-R224 HydrophobicContact CG1-CG 3.78Å; V222-R224 PolarHBondContact O-N 3.28Å; R224-F226 HydrophobicContact CB-CD2 4.22Å; R224-F226 HydrophobicContact CB-CE2 3.59Å; R224-F226 HydrophobicContact CB-CZ 3.82Å; R224-F226 WeakPolarHBondContact O-CD2 3.39Å; R224-F226 PolarHBondContact O-N 2.92Å
225	D	27.6	Very low	35.4	Very low	151 Å²	151	113.5 Å²	113.5	81%	0.807	64%	0.64	S	S	*	*			trans	-73.3	102.7	171.3	-68	-26.1	0	0	0	109.8	S227	D225-S227 PolarHBondContact O-N 3.49Å
226	F	38.6	Very low	36.3	Very low	74 Å²	74	117.2 Å²	117.2	33%	0.325	64%	0.64	S	S	.	*			trans	-87.6	89.2	172.2	-63.7	-81.6	0	0	0	109.6	V122 R224	V122-F226 HydrophobicContact CG1-CD2 4.26Å; V122-F226 HydrophobicContact CG1-CE2 3.66Å; V122-F226 HydrophobicContact CG1-CZ 4.17Å; V122-F226 HydrophobicContact CG2-CD2 4.26Å; V122-F226 HydrophobicContact CG2-CE1 4.35Å; V122-F226 HydrophobicContact CG2-CE2 4.05Å; V122-F226 HydrophobicContact CG2-CZ 4.09Å; R224-F226 HydrophobicContact CB-CD2 4.22Å; R224-F226 HydrophobicContact CB-CE2 3.59Å; R224-F226 HydrophobicContact CB-CZ 3.82Å; R224-F226 WeakPolarHBondContact O-CD2 3.39Å; R224-F226 PolarHBondContact O-N 2.92Å
227	S	38.6	Very low	35.8	Very low	64 Å²	64	121.8 Å²	121.8	45%	0.448	64%	0.641	S	S	.	*			trans	-65.7	141.9	169.9	173	0	0	0	0	111.2	D225 E229 S230	D225-S227 PolarHBondContact O-N 3.49Å; S227-E229 PolarHBondContact O-N 3.29Å; S227-E229 VanDerWaalsContact O-N 3.09Å; S227-E229 PolarHBondContact OG-N 3.44Å; S227-S230 WeakPolarHBondContact O-CB 3.29Å; S227-S230 PolarHBondContact O-N 2.81Å
228	I	41.4	Very low	35.1	Very low	55 Å²	55	121.4 Å²	121.4	28%	0.282	64%	0.639	S	S	.	*	H	α-helix	trans	-53.1	-29.9	176.9	-61.9	170.3	0	0	0	111.9	L21 S95 S230 L231 L232	L21-I228 HydrophobicContact CD1-CD1 4.45Å; S95-I228 VanDerWaalsContact OG-CD1 3.31Å; S95-I228 WeakPolarHBondContact OG-CD1 3.43Å; I228-S230 VanDerWaalsContact C-N 3.27Å; I228-S230 PolarHBondContact O-N 3.3Å; I228-L231 PolarHBondContact O-N 3.4Å; I228-L232 HydrophobicContact CG2-CD1 3.63Å; I228-L232 HydrophobicContact CG2-CG 3.92Å; I228-L232 WeakPolarHBondContact O-CB 3.4Å; I228-L232 VanDerWaalsContact O-CG 3.31Å; I228-L232 WeakPolarHBondContact O-CG 3.28Å; I228-L232 PolarHBondContact O-N 3.44Å
229	E	39.3	Very low	35.3	Very low	115 Å²	115	125.4 Å²	125.4	54%	0.537	63%	0.634	S	S	.	*	H	α-helix	trans	-65	-28.3	175.7	-86.4	-173	134	0	0	113.6	S227 R233	S227-E229 PolarHBondContact O-N 3.29Å; S227-E229 VanDerWaalsContact O-N 3.09Å; S227-E229 PolarHBondContact OG-N 3.44Å; E229-R233 VanDerWaalsContact O-CG 3.28Å; E229-R233 WeakPolarHBondContact O-CG 3.41Å; E229-R233 PolarHBondContact O-N 3.49Å
230	S	41.5	Very low	35.2	Very low	68 Å²	68	121.4 Å²	121.4	48%	0.476	63%	0.632	S	S	.	*	H	α-helix	trans	-76.1	-38.7	174.6	-66.9	0	0	0	0	111.3	S227 I228 R233	S227-S230 WeakPolarHBondContact O-CB 3.29Å; S227-S230 PolarHBondContact O-N 2.81Å; I228-S230 VanDerWaalsContact C-N 3.27Å; I228-S230 PolarHBondContact O-N 3.3Å; S230-R233 PolarHBondContact O-N 3.09Å
231	L	45.9	Very low	35.2	Very low	55 Å²	55	121.6 Å²	121.6	29%	0.288	63%	0.634	S	S	.	*	H	α-helix	trans	-74	-33.1	178.7	-67	172.2	0	0	0	113	I228 R233 E234	I228-L231 PolarHBondContact O-N 3.4Å; L231-R233 VanDerWaalsContact C-N 3.3Å; L231-R233 PolarHBondContact O-N 2.93Å; L231-E234 PolarHBondContact O-N 2.98Å
232	L	43.5	Very low	35.4	Very low	134 Å²	134	126 Å²	126	70%	0.702	64%	0.642	S	S	*	*	H	α-helix	trans	-73	-21.8	174.5	-70.4	176	0	0	0	112.8	I228 E234	I228-L232 HydrophobicContact CG2-CD1 3.63Å; I228-L232 HydrophobicContact CG2-CG 3.92Å; I228-L232 WeakPolarHBondContact O-CB 3.4Å; I228-L232 VanDerWaalsContact O-CG 3.31Å; I228-L232 WeakPolarHBondContact O-CG 3.28Å; I228-L232 PolarHBondContact O-N 3.44Å; L232-E234 VanDerWaalsContact C-N 3.31Å
233	R	42.1	Very low	35.6	Very low	192 Å²	192	125.8 Å²	125.8	73%	0.725	64%	0.644	S	S	*	*	H	α-helix	trans	-76.1	-16.5	173.2	-79.7	177.3	-177.5	177.3	5.8	113.4	E229 S230 L231 N235	E229-R233 VanDerWaalsContact O-CG 3.28Å; E229-R233 WeakPolarHBondContact O-CG 3.41Å; E229-R233 PolarHBondContact O-N 3.49Å; S230-R233 PolarHBondContact O-N 3.09Å; L231-R233 VanDerWaalsContact C-N 3.3Å; L231-R233 PolarHBondContact O-N 2.93Å; R233-N235 VanDerWaalsContact C-N 3.34Å; R233-N235 PolarHBondContact O-N 3.47Å; R233-N235 PolarHBondContact O-ND2 3.27Å
234	E	39.5	Very low	35.4	Very low	148 Å²	148	126.4 Å²	126.4	69%	0.692	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	20.6	-178.6	-67.5	-164.6	167	0	0	115.4	L231 L232	L231-E234 PolarHBondContact O-N 2.98Å; L232-E234 VanDerWaalsContact C-N 3.31Å
235	N	35.1	Very low	34.9	Very low	94 Å²	94	130.6 Å²	130.6	50%	0.503	66%	0.664	S	S	.	*			trans	57.8	68.2	165.1	-54.4	-83.1	0	0	0	116.3	R233 Y237 K239	R233-N235 VanDerWaalsContact C-N 3.34Å; R233-N235 PolarHBondContact O-N 3.47Å; R233-N235 PolarHBondContact O-ND2 3.27Å; N235-Y237 PolarHBondContact O-N 2.99Å; N235-Y237 VanDerWaalsContact O-N 3.08Å; N235-K239 PolarHBondContact OD1-NZ 3.13Å
236	L	39.1	Very low	34.8	Very low	158 Å²	158	134.7 Å²	134.7	83%	0.827	67%	0.668	S	S	*	*	S	Bend	trans	-80	60.3	154.7	-75.5	172	0	0	0	111.6
237	Y	29	Very low	34.7	Very low	209 Å²	209	136.4 Å²	136.4	82%	0.82	69%	0.687	S	S	*	*	S	Bend	trans	-161.9	136	155.1	-108.6	-82.5	0	0	0	108.9	N235 K239	N235-Y237 PolarHBondContact O-N 2.99Å; N235-Y237 VanDerWaalsContact O-N 3.08Å; Y237-K239 PolarHBondContact O-N 3.19Å; Y237-K239 VanDerWaalsContact O-N 3.12Å
238	P	29.4	Very low	34.2	Very low	127 Å²	127	138.1 Å²	138.1	83%	0.825	70%	0.699	S	S	*	*			trans	-65.2	116.7	-177.5	-15.1	28	0	0	0	110.8	A240	P238-A240 PolarHBondContact O-N 3.14Å
239	K	28.5	Very low	33.4	Very low	161 Å²	161	143.8 Å²	143.8	70%	0.7	73%	0.729	S	S	*	*			trans	-71.9	111.3	161.9	-80.7	170.6	174	153.2	0	107.7	N235 Y237 N241	N235-K239 PolarHBondContact OD1-NZ 3.13Å; Y237-K239 PolarHBondContact O-N 3.19Å; Y237-K239 VanDerWaalsContact O-N 3.12Å; K239-N241 PolarHBondContact O-N 3.32Å; K239-N241 VanDerWaalsContact O-N 3.11Å
240	A	28.3	Very low	32.8	Very low	91 Å²	91	143.3 Å²	143.3	75%	0.752	74%	0.739	S	S	*	*			trans	-62.9	110.7	165.4	0	0	0	0	0	108.3	P238 I242	P238-A240 PolarHBondContact O-N 3.14Å; A240-I242 PolarHBondContact O-N 3.37Å
241	N	28	Very low	32.9	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	75%	0.746	S	S	*	*			trans	-63.2	120.5	167.8	-99.6	-29.6	0	0	0	108.8	K239	K239-N241 PolarHBondContact O-N 3.32Å; K239-N241 VanDerWaalsContact O-N 3.11Å
242	I	29.8	Very low	32	Very low	148 Å²	148	152 Å²	152	76%	0.759	78%	0.776	S	S	*	*			trans	-125.1	125.9	159.9	-56.4	175.6	0	0	0	106.5	A240	A240-I242 PolarHBondContact O-N 3.37Å
243	P	33.2	Very low	31.2	Very low	122 Å²	122	150 Å²	150	79%	0.792	78%	0.778	S	S	*	*			trans	-80	141.3	177.6	31.3	-31	0	0	0	111.5
244	D	27.2	Very low	31.2	Very low	165 Å²	165	145.9 Å²	145.9	88%	0.882	78%	0.776	S	S	*	*			trans	-66.9	126.9	176.6	-87.1	-45.6	0	0	0	113.5
245	R	26.8	Very low	30.5	Very low	248 Å²	248	145.6 Å²	145.6	94%	0.936	78%	0.779	S	S	*	*			trans	-167.8	114.2	134.9	-109.1	-177.4	-173.5	-162	2.8	111.5
246	R	27	Very low	30.1	Very low	237 Å²	237	149.9 Å²	149.9	89%	0.894	79%	0.794	S	S	*	*			trans	-77.6	168.7	160.5	-87.9	-172.8	-175.9	-171.2	3	110.4
247	P	34.6	Very low	29.6	Very low	110 Å²	110	151.6 Å²	151.6	71%	0.714	80%	0.795	S	S	*	*			cis	-144.3	162.7	25.3	37.6	-15.7	0	0	0	119.6
248	S	28.1	Very low	30.2	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	78%	0.781	S	S	*	*			trans	49.5	117.4	146.1	67.1	0	0	0	0	121.5
249	L	25.7	Very low	30.2	Very low	174 Å²	174	147.1 Å²	147.1	91%	0.911	78%	0.777	S	S	*	*				-178.6	130	110.9	-89.8	162.3	0	0	0	109.5
250	S	25.8	Very low	30.1	Very low	105 Å²	105	146 Å²	146	73%	0.734	78%	0.778	S	S	*	*			trans	-88.4	-176.7	167.3	60.7	0	0	0	0	110.6
251	P	45.3	Very low	30.3	Very low	96 Å²	96	152.5 Å²	152.5	62%	0.623	78%	0.784	S	S	*	*			cis	-128.3	173.5	-22.3	32.1	-13	0	0	0	112.2
252	F	26.7	Very low	31.1	Very low	210 Å²	210	150.1 Å²	150.1	92%	0.921	78%	0.777	S	S	*	*			trans	168.1	140.4	131.8	-91.1	-69.2	0	0	0	110.1
253	A	26.3	Very low	30.9	Very low	90 Å²	90	146.6 Å²	146.6	74%	0.744	78%	0.777	S	S	*	*			trans	-89.5	-156.1	-167.2	0	0	0	0	0	113.2
254	P	41.2	Very low	30.7	Very low	106 Å²	106	148.3 Å²	148.3	69%	0.688	78%	0.779	S	S	*	*				-107.6	171.5	-99	35.4	-19.1	0	0	0	111.8
255	D	25.6	Very low	30.7	Very low	143 Å²	143	150.8 Å²	150.8	77%	0.765	78%	0.783	S	S	*	*			trans	166.4	149.5	136	-91.2	-22	0	0	0	114.9
256	F	26.6	Very low	30.7	Very low	184 Å²	184	142 Å²	142	81%	0.807	77%	0.77	S	S	*	*			trans	81.3	99.3	149.8	-94.3	-115.9	0	0	0	120.8
257	F	29.1	Very low	30.7	Very low	194 Å²	194	135.2 Å²	135.2	85%	0.851	76%	0.764	S	S	*	*				-59.1	156.1	127.4	-84.3	-82.3	0	0	0	108.1
258	P	41.1	Very low	30.3	Very low	82 Å²	82	138.9 Å²	138.9	53%	0.532	77%	0.769	S	S	.	*			cis	-164.9	-175.1	44.5	48.6	-26.2	0	0	0	120
259	H	28.8	Very low	30.4	Very low	160 Å²	160	138.7 Å²	138.7	74%	0.741	77%	0.774	S	S	*	*			trans	60.7	123.1	138.3	-63.3	-33.9	0	0	0	124.5
260	L	27.5	Very low	30.5	Very low	137 Å²	137	138.1 Å²	138.1	72%	0.717	77%	0.766	S	S	*	*				80	137.1	120.2	-72.7	164.8	0	0	0	123
261	W	32.1	Very low	30.5	Very low	228 Å²	228	140.6 Å²	140.6	86%	0.864	77%	0.77	S	S	*	*			trans	89.3	152.8	156.4	-101.5	-77.6	0	0	0	117.8
262	P	45.1	Very low	30	Very low	112 Å²	112	141.1 Å²	141.1	73%	0.727	77%	0.774	S	S	*	*				-131.7	-159	-129.1	23.9	7.1	0	0	0	107
263	G	25.7	Very low	29.9	Very low	74 Å²	74	139.7 Å²	139.7	76%	0.763	77%	0.77	S	S	*	*			trans	150.3	114.6	158.2	0	0	0	0	0	113.7
264	D	27.6	Very low	29.9	Very low	158 Å²	158	144.2 Å²	144.2	85%	0.845	78%	0.776	S	S	*	*			trans	-45.2	143.8	164.6	-83.2	-44.3	0	0	0	114.2
265	F	27.3	Very low	29.1	Very low	217 Å²	217	145.3 Å²	145.3	95%	0.952	78%	0.783	S	S	*	*			trans	-137.6	124	137.4	-99.8	-83.3	0	0	0	108.9
266	G	27.7	Very low	29.2	Very low	64 Å²	64	147.4 Å²	147.4	66%	0.66	79%	0.79	S	S	*	*			trans	-101.1	160.2	177.6	0	0	0	0	0	114.3
267	A	27.6	Very low	29.1	Very low	94 Å²	94	145.6 Å²	145.6	78%	0.777	79%	0.789	S	S	*	*			trans	68.7	136.8	155.1	0	0	0	0	0	117.1
268	F	25.4	Very low	29.1	Very low	188 Å²	188	142.1 Å²	142.1	83%	0.825	79%	0.789	S	S	*	*			cis	-151.1	153.1	31.5	-111.6	-101.7	0	0	0	107.1
269	A	29.3	Very low	28.4	Very low	97 Å²	97	140.9 Å²	140.9	80%	0.802	79%	0.791	S	S	*	*				-169.1	157.7	64.5	0	0	0	0	0	112.2
270	Q	28.5	Very low	28.5	Very low	162 Å²	162	139 Å²	139	76%	0.757	79%	0.793	S	S	*	*			trans	-89.2	134.9	-171.6	-79.3	163.8	-35.1	0	0	115.2
271	L	26.2	Very low	28.6	Very low	156 Å²	156	141 Å²	141	82%	0.817	80%	0.804	S	S	*	*			trans	63.4	161.9	131.2	-64.8	170.8	0	0	0	121.3
272	P	35.7	Very low	28.4	Very low	107 Å²	107	137.3 Å²	137.3	70%	0.695	80%	0.801	S	S	*	*			cis	-125	168.2	-5.7	28.1	-4.9	0	0	0	112.5
273	E	24.5	Very low	27.8	Very low	181 Å²	181	139.1 Å²	139.1	85%	0.846	80%	0.803	S	S	*	*				-171.7	136.9	76.3	-76.4	-170.2	153.9	0	0	112.1
274	Q	24.8	Very low	28	Very low	184 Å²	184	141.3 Å²	141.3	86%	0.86	80%	0.802	S	S	*	*			trans	35.2	122.2	154.7	-55.3	-156.1	-5.6	0	0	123.8
275	P	25.8	Very low	28.3	Very low	130 Å²	130	140.1 Å²	140.1	84%	0.844	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-95.3	133.8	155.3	33	-24.1	0	0	0	112.1
276	M	26.8	Very low	28.5	Very low	186 Å²	186	138.6 Å²	138.6	92%	0.916	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-88	149.6	160.9	-96.9	-76.5	-151.6	0	0	110.1
277	D	25.2	Very low	28.5	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.8	134.4	-160.7	-162.2	2.2	0	0	0	115	G279	D277-G279 PolarHBondContact OD1-N 2.88Å
278	S	27.8	Very low	28.5	Very low	121 Å²	121	149.1 Å²	149.1	85%	0.846	80%	0.798	S	S	*	*			trans	-155.1	84.2	150.2	46.8	0	0	0	0	108.4
279	G	27.7	Very low	28.8	Very low	56 Å²	56	149.8 Å²	149.8	58%	0.577	80%	0.8	S	S	*	*			trans	-64.5	160.3	176.3	0	0	0	0	0	114.4	D277	D277-G279 PolarHBondContact OD1-N 2.88Å
280	P	29.7	Very low	29	Very low	122 Å²	122	152.8 Å²	152.8	79%	0.792	80%	0.801	S	S	*	*			trans	-79.1	135.5	178	31.9	-31.1	0	0	0	111.2	D282	P280-D282 PolarHBondContact O-N 3.17Å; P280-D282 VanDerWaalsContact O-N 3.14Å
281	L	30.4	Very low	29.1	Very low	178 Å²	178	154.3 Å²	154.3	93%	0.932	81%	0.805	S	S	*	*			trans	-69.7	105.4	170.2	-80.1	163.5	0	0	0	109.5
282	D	28.3	Very low	29.8	Very low	150 Å²	150	155.8 Å²	155.8	80%	0.802	81%	0.808	S	S	*	*			trans	-69	129.8	175.6	-118.3	-14.7	0	0	0	111	P280 V284	P280-D282 PolarHBondContact O-N 3.17Å; P280-D282 VanDerWaalsContact O-N 3.14Å; D282-V284 PolarHBondContact O-N 3Å
283	L	31.9	Very low	30	Very low	150 Å²	150	160 Å²	160	79%	0.785	82%	0.818	S	S	*	*			trans	-68.6	112.2	171.4	-73	162	0	0	0	109.1	I285	L283-I285 PolarHBondContact O-N 3.4Å
284	V	29.2	Very low	30.4	Very low	120 Å²	120	160.7 Å²	160.7	73%	0.727	82%	0.821	S	S	*	*			trans	-76.5	87.5	174.2	177.5	0	0	0	0	109.2	D282 K286	D282-V284 PolarHBondContact O-N 3Å; V284-K286 HydrophobicContact CG1-CD 4.45Å; V284-K286 HydrophobicContact CG1-CG 3.83Å; V284-K286 PolarHBondContact O-N 3.44Å
285	I	34.5	Very low	30.9	Very low	134 Å²	134	161.1 Å²	161.1	69%	0.687	82%	0.821	S	S	*	*			trans	-80.2	99.4	161.3	-59	173.3	0	0	0	106.7	L283 N287	L283-I285 PolarHBondContact O-N 3.4Å; I285-N287 VanDerWaalsContact C-N 3.33Å; I285-N287 PolarHBondContact O-N 3.48Å
286	K	31.2	Very low	31.9	Very low	184 Å²	184	161.9 Å²	161.9	80%	0.8	82%	0.817	S	S	*	*			trans	-72.8	88.2	173.5	-85.5	172.1	-175.6	169.2	0	110	V284 R288	V284-K286 HydrophobicContact CG1-CD 4.45Å; V284-K286 HydrophobicContact CG1-CG 3.83Å; V284-K286 PolarHBondContact O-N 3.44Å; K286-R288 PolarHBondContact O-N 2.91Å
287	N	28.2	Very low	32.7	Very low	144 Å²	144	161.8 Å²	161.8	77%	0.77	82%	0.815	S	S	*	*			trans	-69.5	92.4	161.8	-74	-23.1	0	0	0	109.3	I285 K289	I285-N287 VanDerWaalsContact C-N 3.33Å; I285-N287 PolarHBondContact O-N 3.48Å; N287-K289 PolarHBondContact O-N 2.79Å
288	R	28.3	Very low	33.6	Very low	236 Å²	236	163 Å²	163	89%	0.891	82%	0.821	S	S	*	*			trans	-72.2	95	165.8	-91.8	-177	160.3	176.4	-4.8	109.4	K286 I290	K286-R288 PolarHBondContact O-N 2.91Å; R288-I290 PolarHBondContact O-N 2.93Å
289	K	30.4	Very low	34.2	Very low	201 Å²	201	162.6 Å²	162.6	87%	0.874	82%	0.815	S	S	*	*			trans	-66.4	109	153.9	-92.4	-179.5	174.7	177.7	0	107.7	N287 K291	N287-K289 PolarHBondContact O-N 2.79Å; K289-K291 PolarHBondContact O-N 2.99Å
290	I	33.6	Very low	34.8	Very low	161 Å²	161	165.5 Å²	165.5	83%	0.826	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-68.2	117	167.7	-61.6	168.7	0	0	0	106.6	R288	R288-I290 PolarHBondContact O-N 2.93Å
291	K	31	Very low	35.5	Very low	194 Å²	194	165.2 Å²	165.2	84%	0.843	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.2	127.5	166.5	-84.3	-178.5	174.6	-179.6	0	107.8	K289 E293	K289-K291 PolarHBondContact O-N 2.99Å; K291-E293 PolarHBondContact O-N 2.87Å
292	E	41.1	Very low	35.9	Very low	186 Å²	186	162.3 Å²	162.3	87%	0.869	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-56.5	118.4	158.2	-63.5	177.8	145.6	0	0	108.4
293	E	39	Very low	36.4	Very low	195 Å²	195	160.6 Å²	160.6	91%	0.911	81%	0.81	S	S	*	*			trans	162.1	79.5	150.5	-92.2	175.9	-176.5	0	0	109.1	K291	K291-E293 PolarHBondContact O-N 2.87Å
294	E	32.8	Very low	37.1	Very low	196 Å²	196	158.3 Å²	158.3	92%	0.916	81%	0.805	S	S	*	*			trans	-162.4	84.8	136.5	-160.2	165.9	-169.3	0	0	106.5
295	K	37.3	Very low	37.6	Very low	194 Å²	194	158.1 Å²	158.1	84%	0.843	81%	0.806	S	S	*	*			trans	-97.9	101.2	167.6	-172.9	-176.5	-173.9	-177.8	0	104.5
296	D	46.2	Very low	37.8	Very low	145 Å²	145	157.7 Å²	157.7	78%	0.775	80%	0.799	S	S	*	*			trans	-172.9	134.7	138.2	-86.3	-30.2	0	0	0	109.8
297	E	42.8	Very low	38.5	Very low	185 Å²	185	153.1 Å²	153.1	86%	0.864	79%	0.789	S	S	*	*	S	Bend	trans	81	63.5	174.5	-51.8	-164.9	158.8	0	0	119.2
298	L	43.8	Very low	39.1	Very low	172 Å²	172	154.3 Å²	154.3	90%	0.901	80%	0.795	S	S	*	*	S	Bend	trans	-151.7	145.1	143	-92.9	127.6	0	0	0	110.2
299	P	41.8	Very low	40	Very low	112 Å²	112	147.9 Å²	147.9	73%	0.727	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-66.7	148.9	-177	27.6	-33.6	0	0	0	111.9
300	P	40.2	Very low	40.6	Very low	117 Å²	117	142.7 Å²	142.7	76%	0.76	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66.6	146.6	-172.1	27	-34.5	0	0	0	112.6
301	P	43.6	Very low	41.1	Very low	115 Å²	115	143 Å²	143	75%	0.747	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-67.1	150.8	172.7	28.7	-34	0	0	0	111.3
302	P	38.9	Very low	41.7	Very low	118 Å²	118	141.6 Å²	141.6	77%	0.766	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-64.5	144.8	178.6	27	-33.3	0	0	0	111.2
303	P	39.3	Very low	41.7	Very low	113 Å²	113	139.2 Å²	139.2	73%	0.734	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-65.1	153.2	-179.4	27	-33.6	0	0	0	111.8
304	P	45.9	Very low	41.8	Very low	103 Å²	103	135.4 Å²	135.4	67%	0.669	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-58.4	147.2	174.6	25.6	-33.6	0	0	0	110.3	F306	P304-F306 PolarHBondContact O-N 3.35Å
305	P	40.6	Very low	42.5	Very low	115 Å²	115	132.4 Å²	132.4	75%	0.747	71%	0.706	S	S	*	*	S	Bend	trans	-68.1	-5.3	-166.3	25	-32.6	0	0	0	114.6
306	F	37.5	Very low	42.5	Very low	125 Å²	125	128.2 Å²	128.2	55%	0.548	70%	0.699	S	S	.	*	S	Bend	trans	-143.9	129.9	173.8	-64.3	-77.8	0	0	0	111.3	P304 F310	P304-F306 PolarHBondContact O-N 3.35Å; F306-F310 AromaticContact CD1-CD1 3.95Å; F306-F310 HydrophobicContact CD1-CD1 3.95Å; F306-F310 HydrophobicContact CD1-CD2 4Å; F306-F310 HydrophobicContact CD1-CE1 4.12Å; F306-F310 HydrophobicContact CD1-CE2 4.16Å; F306-F310 AromaticContact CD1-CG 3.9Å; F306-F310 HydrophobicContact CD1-CG 3.9Å; F306-F310 HydrophobicContact CD1-CZ 4.22Å; F306-F310 HydrophobicContact CE1-CD1 4.43Å; F306-F310 HydrophobicContact CE1-CE1 4.13Å; F306-F310 HydrophobicContact CE1-CE2 4.28Å; F306-F310 HydrophobicContact CE1-CZ 4.05Å
307	P	46.8	Very low	42.2	Very low	89 Å²	89	128.2 Å²	128.2	58%	0.578	70%	0.699	S	S	*	*			trans	-63.5	145	167	-17.1	30.2	0	0	0	110.2	D309 F310	P307-D309 PolarHBondContact O-N 2.88Å; P307-F310 WeakPolarHBondContact O-CB 3.46Å; P307-F310 PolarHBondContact O-N 3.42Å
308	N	41.5	Very low	41.8	Very low	169 Å²	169	126.5 Å²	126.5	90%	0.904	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-6.7	176.5	-75.5	-32.8	0	0	0	114.3
309	D	45.3	Very low	41.3	Very low	101 Å²	101	124.3 Å²	124.3	54%	0.54	69%	0.691	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.9	-0.5	177.5	-63.8	-45.6	0	0	0	114.2	P307 F311 K312	P307-D309 PolarHBondContact O-N 2.88Å; D309-F311 PolarHBondContact O-N 3.31Å; D309-F311 VanDerWaalsContact O-N 3.15Å; D309-K312 PolarHBondContact O-N 3.49Å
310	F	44.1	Very low	40.9	Very low	91 Å²	91	123.1 Å²	123.1	40%	0.399	70%	0.699	S	S	.	*	H	α-helix	trans	-58.2	-32.3	-176.5	-172.3	-99.4	0	0	0	113.7	F306 P307 M314	F306-F310 AromaticContact CD1-CD1 3.95Å; F306-F310 HydrophobicContact CD1-CD1 3.95Å; F306-F310 HydrophobicContact CD1-CD2 4Å; F306-F310 HydrophobicContact CD1-CE1 4.12Å; F306-F310 HydrophobicContact CD1-CE2 4.16Å; F306-F310 AromaticContact CD1-CG 3.9Å; F306-F310 HydrophobicContact CD1-CG 3.9Å; F306-F310 HydrophobicContact CD1-CZ 4.22Å; F306-F310 HydrophobicContact CE1-CD1 4.43Å; F306-F310 HydrophobicContact CE1-CE1 4.13Å; F306-F310 HydrophobicContact CE1-CE2 4.28Å; F306-F310 HydrophobicContact CE1-CZ 4.05Å; P307-F310 WeakPolarHBondContact O-CB 3.46Å; P307-F310 PolarHBondContact O-N 3.42Å; F310-M314 HydrophobicContact CE1-SD 4.11Å; F310-M314 HydrophobicContact CZ-SD 4.46Å
311	F	43.8	Very low	40.5	Very low	168 Å²	168	120.4 Å²	120.4	74%	0.737	69%	0.693	S	S	*	*	H	α-helix	trans	-79.9	-15.7	178.5	-78.2	-81.4	0	0	0	114.2	D309	D309-F311 PolarHBondContact O-N 3.31Å; D309-F311 VanDerWaalsContact O-N 3.15Å
312	K	43.1	Very low	40.3	Very low	164 Å²	164	121.3 Å²	121.3	71%	0.713	70%	0.698	S	S	*	*	H	α-helix	trans	-83.8	-30.3	178.6	-114.9	177.3	-179.7	175.3	0	112.6	D309	D309-K312 PolarHBondContact O-N 3.49Å
313	D	42.5	Very low	39.9	Very low	136 Å²	136	124.1 Å²	124.1	73%	0.727	71%	0.706	S	S	*	*	H	α-helix	trans	-90	-16	-178.1	-71.8	-18.2	0	0	0	113.5
314	M	41.1	Very low	39.5	Very low	115 Å²	115	121.4 Å²	121.4	57%	0.567	70%	0.698	S	S	*	*	S	Bend	trans	-84.1	-15.2	-179.3	-160.9	170.3	170.1	0	0	113.6	F310	F310-M314 HydrophobicContact CE1-SD 4.11Å; F310-M314 HydrophobicContact CZ-SD 4.46Å
315	F	47.1	Very low	39	Very low	134 Å²	134	122.4 Å²	122.4	59%	0.588	71%	0.705	S	S	*	*			trans	-140.2	79.5	179	-59.9	-78.9	0	0	0	112.3	D317	F315-D317 VanDerWaalsContact C-N 3.29Å; F315-D317 PolarHBondContact O-N 3.48Å
316	P	36.5	Very low	38.6	Very low	106 Å²	106	125.2 Å²	125.2	69%	0.688	71%	0.712	S	S	*	*	S	Bend	trans	-73.4	-19.4	178.3	-13.8	29.2	0	0	0	113.7
317	D	40.3	Very low	38.4	Very low	145 Å²	145	128.5 Å²	128.5	78%	0.775	73%	0.726	S	S	*	*			trans	-134.2	83.9	-170.3	-70.3	-46.7	0	0	0	112.2	F315	F315-D317 VanDerWaalsContact C-N 3.29Å; F315-D317 PolarHBondContact O-N 3.48Å
318	L	33.8	Very low	38	Very low	149 Å²	149	128.3 Å²	128.3	78%	0.78	73%	0.731	S	S	*	*			trans	-126.9	121.9	149.9	-119.5	92.7	0	0	0	109.3
319	P	33.3	Very low	38.3	Very low	125 Å²	125	128.7 Å²	128.7	81%	0.812	73%	0.728	S	S	*	*			trans	-68.6	137.1	179.1	28.4	-31.6	0	0	0	110
320	G	34.7	Very low	38.2	Very low	87 Å²	87	131.1 Å²	131.1	90%	0.897	74%	0.741	S	S	*	*			trans	-60.8	151	-164	0	0	0	0	0	117.4
321	G	31.5	Very low	38.1	Very low	61 Å²	61	132.8 Å²	132.8	63%	0.629	75%	0.754	S	S	*	*			trans	175.4	130.3	161.6	0	0	0	0	0	110.2	L323	G321-L323 PolarHBondContact O-N 3.44Å
322	P	38.2	Very low	38.1	Very low	134 Å²	134	133.5 Å²	133.5	87%	0.87	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-75.5	122.6	-176.5	30.4	-30.5	0	0	0	109.8	G324	P322-G324 PolarHBondContact O-N 2.99Å
323	L	31.4	Very low	38.1	Very low	177 Å²	177	127.7 Å²	127.7	93%	0.927	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-67.2	117.9	167.6	-73.4	170.1	0	0	0	108.5	G321	G321-L323 PolarHBondContact O-N 3.44Å
324	G	31.4	Very low	38.4	Very low	55 Å²	55	123.5 Å²	123.5	57%	0.567	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-66	173.4	175.2	0	0	0	0	0	113.1	P322 I326	P322-G324 PolarHBondContact O-N 2.99Å; G324-I326 PolarHBondContact O-N 3.01Å
325	P	35.3	Very low	38.6	Very low	125 Å²	125	124.6 Å²	124.6	81%	0.812	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-71.1	129.6	-168.5	29.9	-33.1	0	0	0	111.2	K327	P325-K327 PolarHBondContact O-N 3.42Å
326	I	32.2	Very low	38.5	Very low	174 Å²	174	122.5 Å²	122.5	89%	0.892	72%	0.717	S	S	*	*			trans	-70.4	112.6	173	-59.7	169.4	0	0	0	107.7	G324	G324-I326 PolarHBondContact O-N 3.01Å
327	K	32.3	Very low	39	Very low	194 Å²	194	122.7 Å²	122.7	84%	0.843	71%	0.713	S	S	*	*			trans	-90.8	125.8	166.8	-83.9	-176.9	175.4	179.4	0	109.3	P325	P325-K327 PolarHBondContact O-N 3.42Å
328	A	38.1	Very low	39.2	Very low	84 Å²	84	122.5 Å²	122.5	69%	0.694	71%	0.705	S	S	*	*			trans	44.7	123.4	149.2	0	0	0	0	0	121
329	E	48.2	Very low	39.7	Very low	177 Å²	177	120 Å²	120	83%	0.827	69%	0.692	S	S	*	*			trans	50.9	112.3	137.1	-68.1	174.4	175.9	0	0	119.6
330	N	43.8	Very low	40.1	Very low	153 Å²	153	118 Å²	118	82%	0.818	68%	0.681	S	S	*	*			trans	124.4	64	152.1	-65.1	-23.5	0	0	0	114.6
331	D	42.8	Very low	40.4	Very low	126 Å²	126	117.6 Å²	117.6	67%	0.674	67%	0.669	S	S	*	*			trans	-150.6	50.5	164.6	-103.9	-24.1	0	0	0	113.1	G333 A334 Y335	D331-G333 PolarHBondContact O-N 3.48Å; D331-A334 HydrophobicContact CB-CB 3.96Å; D331-A334 PolarHBondContact O-N 3.3Å; D331-Y335 PolarHBondContact O-N 2.99Å
332	Y	43.5	Very low	41	Very low	183 Å²	183	118.3 Å²	118.3	72%	0.718	66%	0.661	S	S	*	*	H	α-helix	trans	-65	-26.5	170.6	-150.5	-97.7	0	0	0	111.7	L336	Y332-L336 HydrophobicContact CD1-CD1 3.99Å; Y332-L336 HydrophobicContact CD1-CG 4.45Å; Y332-L336 HydrophobicContact CE1-CD1 4.1Å; Y332-L336 HydrophobicContact CE1-CG 4.5Å; Y332-L336 WeakPolarHBondContact O-CG 3.49Å; Y332-L336 PolarHBondContact O-N 2.97Å
333	G	42.4	Very low	41.4	Very low	42 Å²	42	120.8 Å²	120.8	43%	0.433	66%	0.661	S	S	.	*	H	α-helix	trans	-73	-34.4	175.3	0	0	0	0	0	114.1	D331 N337	D331-G333 PolarHBondContact O-N 3.48Å; G333-N337 WeakPolarHBondContact O-CB 3.2Å; G333-N337 PolarHBondContact O-N 3.18Å; G333-N337 VanDerWaalsContact O-N 3.11Å; G333-N337 PolarHBondContact O-ND2 2.84Å
334	A	48	Very low	41.8	Very low	48 Å²	48	119.5 Å²	119.5	40%	0.397	65%	0.654	S	S	.	*	H	α-helix	trans	-70.9	-33.6	177	0	0	0	0	0	111.9	D331 F338	D331-A334 HydrophobicContact CB-CB 3.96Å; D331-A334 PolarHBondContact O-N 3.3Å; A334-F338 WeakPolarHBondContact O-CB 3.43Å; A334-F338 PolarHBondContact O-N 2.76Å
335	Y	45.2	Very low	42.1	Very low	137 Å²	137	120 Å²	120	54%	0.537	66%	0.659	S	S	.	*	H	α-helix	trans	-68.1	-41.6	175.8	-174.7	-104.1	0	0	0	112.8	D331 F338 L339	D331-Y335 PolarHBondContact O-N 2.99Å; Y335-F338 PolarHBondContact O-N 3.39Å; Y335-L339 HydrophobicContact CD1-CD1 4.06Å; Y335-L339 HydrophobicContact CE1-CD1 3.59Å; Y335-L339 PolarHBondContact O-N 3.45Å; Y335-L339 VanDerWaalsContact O-N 3.14Å
336	L	46.6	Very low	42.5	Very low	91 Å²	91	117.9 Å²	117.9	48%	0.476	66%	0.66	S	S	.	*	H	α-helix	trans	-71	-32.1	176.3	-68.1	175.4	0	0	0	112.7	Y332 S340	Y332-L336 HydrophobicContact CD1-CD1 3.99Å; Y332-L336 HydrophobicContact CD1-CG 4.45Å; Y332-L336 HydrophobicContact CE1-CD1 4.1Å; Y332-L336 HydrophobicContact CE1-CG 4.5Å; Y332-L336 WeakPolarHBondContact O-CG 3.49Å; Y332-L336 PolarHBondContact O-N 2.97Å; L336-S340 PolarHBondContact O-N 2.88Å; L336-S340 VanDerWaalsContact O-N 3.15Å; L336-S340 PolarHBondContact O-OG 3.15Å
337	N	46.5	Very low	42.8	Very low	110 Å²	110	117.3 Å²	117.3	59%	0.588	66%	0.658	S	S	*	*	H	α-helix	trans	-72.8	-29.7	172	-77.9	-22.4	0	0	0	112.9	G333 S340 A341	G333-N337 WeakPolarHBondContact O-CB 3.2Å; G333-N337 PolarHBondContact O-N 3.18Å; G333-N337 VanDerWaalsContact O-N 3.11Å; G333-N337 PolarHBondContact O-ND2 2.84Å; N337-S340 WeakPolarHBondContact CA-OG 3.24Å; N337-S340 PolarHBondContact O-OG 3.2Å; N337-A341 WeakPolarHBondContact O-CB 3.34Å; N337-A341 PolarHBondContact O-N 2.87Å; N337-A341 VanDerWaalsContact O-N 3.08Å
338	F	43.9	Very low	42.7	Very low	141 Å²	141	116.7 Å²	116.7	62%	0.618	66%	0.655	S	S	*	*	H	α-helix	trans	-68.9	-38.3	173.8	-178	-99.9	0	0	0	112.1	A334 Y335	A334-F338 WeakPolarHBondContact O-CB 3.43Å; A334-F338 PolarHBondContact O-N 2.76Å; Y335-F338 PolarHBondContact O-N 3.39Å
339	L	44.1	Very low	42.6	Very low	97 Å²	97	117.5 Å²	117.5	51%	0.508	65%	0.654	S	S	.	*	H	α-helix	trans	-74	-26.5	176.1	-73.8	169.2	0	0	0	113.5	Y335 T342	Y335-L339 HydrophobicContact CD1-CD1 4.06Å; Y335-L339 HydrophobicContact CE1-CD1 3.59Å; Y335-L339 PolarHBondContact O-N 3.45Å; Y335-L339 VanDerWaalsContact O-N 3.14Å; L339-T342 PolarHBondContact O-OG1 2.72Å
340	S	41.5	Very low	42	Very low	83 Å²	83	115 Å²	115	58%	0.58	65%	0.653	S	S	*	*	H	α-helix	trans	-86.5	-22.3	177.2	68.4	0	0	0	0	113.6	L336 N337	L336-S340 PolarHBondContact O-N 2.88Å; L336-S340 VanDerWaalsContact O-N 3.15Å; L336-S340 PolarHBondContact O-OG 3.15Å; N337-S340 WeakPolarHBondContact CA-OG 3.24Å; N337-S340 PolarHBondContact O-OG 3.2Å
341	A	40.7	Very low	41.5	Very low	78 Å²	78	117.4 Å²	117.4	65%	0.645	65%	0.651	S	S	*	*	H	α-helix	trans	-90.3	-7.8	-177.2	0	0	0	0	0	114.9	N337 H343	N337-A341 WeakPolarHBondContact O-CB 3.34Å; N337-A341 PolarHBondContact O-N 2.87Å; N337-A341 VanDerWaalsContact O-N 3.08Å; A341-H343 PolarHBondContact O-N 2.8Å
342	T	44.8	Very low	41.2	Very low	75 Å²	75	117.2 Å²	117.2	46%	0.46	66%	0.656	S	S	.	*			trans	-77.6	72	173.6	42.3	0	0	0	0	111.1	L339 L344	L339-T342 PolarHBondContact O-OG1 2.72Å; T342-L344 PolarHBondContact O-N 3.24Å
343	H	45.9	Very low	41.4	Very low	187 Å²	187	115.9 Å²	115.9	87%	0.866	66%	0.661	S	S	*	*			trans	-71.4	61.7	159	-123.6	-89.6	0	0	0	109.4	A341 G345	A341-H343 PolarHBondContact O-N 2.8Å; H343-G345 PolarHBondContact O-N 3.49Å
344	L	41.4	Very low	41.6	Very low	150 Å²	150	119.3 Å²	119.3	79%	0.785	67%	0.673	S	S	*	*			trans	-86.9	95.8	166.2	-79.5	169.3	0	0	0	107.4	T342 G346	T342-L344 PolarHBondContact O-N 3.24Å; L344-G346 PolarHBondContact O-N 3.37Å
345	G	37.2	Very low	41.4	Very low	65 Å²	65	126.2 Å²	126.2	67%	0.67	70%	0.697	S	S	*	*			trans	-55.4	132.2	171.2	0	0	0	0	0	111.6	H343 L347	H343-G345 PolarHBondContact O-N 3.49Å; G345-L347 PolarHBondContact O-N 3.04Å
346	G	43.3	Very low	41	Very low	80 Å²	80	127.2 Å²	127.2	83%	0.825	71%	0.706	S	S	*	*	S	Bend	trans	73.4	23.6	143	0	0	0	0	0	119.4	L344	L344-G346 PolarHBondContact O-N 3.37Å
347	L	38.6	Very low	40.7	Very low	162 Å²	162	133.8 Å²	133.8	85%	0.848	73%	0.725	S	S	*	*			trans	-126.7	40.5	177.1	-77.2	167.5	0	0	0	114.2	G345	G345-L347 PolarHBondContact O-N 3.04Å
348	F	30.4	Very low	40.2	Very low	181 Å²	181	137.7 Å²	137.7	79%	0.794	74%	0.737	S	S	*	*	S	Bend	trans	-122.7	127.3	162.8	-109.7	-98.1	0	0	0	108.9
349	P	36.6	Very low	40.2	Very low	102 Å²	102	138.3 Å²	138.3	66%	0.662	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-65.2	150.2	172.8	28.5	-31.3	0	0	0	109.4	W351	P349-W351 PolarHBondContact O-N 3.09Å; P349-W351 VanDerWaalsContact O-N 3.13Å
350	P	35.7	Very low	39.8	Very low	125 Å²	125	143 Å²	143	81%	0.812	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.2	119.8	177.6	27.4	-31.9	0	0	0	108.5
351	W	33.4	Very low	39.8	Very low	203 Å²	203	144.7 Å²	144.7	77%	0.769	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-57.2	131.2	168.9	-106.2	76.7	0	0	0	109.3	P349 L353	P349-W351 PolarHBondContact O-N 3.09Å; P349-W351 VanDerWaalsContact O-N 3.13Å; W351-L353 PolarHBondContact O-N 3.34Å
352	P	36.2	Very low	40.3	Very low	122 Å²	122	149.3 Å²	149.3	79%	0.792	78%	0.777	S	S	*	*			trans	-73.4	82	166.4	30.1	-29.5	0	0	0	108.2	V354	P352-V354 PolarHBondContact O-N 3.35Å
353	L	47.8	Very low	41	Very low	155 Å²	155	148.1 Å²	148.1	81%	0.812	77%	0.774	S	S	*	*			trans	-68.3	105.6	150.3	-93.7	149.2	0	0	0	106	W351	W351-L353 PolarHBondContact O-N 3.34Å
354	V	45.8	Very low	42.1	Very low	113 Å²	113	142.6 Å²	142.6	69%	0.685	76%	0.757	S	S	*	*				-179.9	94.2	127.1	178.6	0	0	0	0	106.2	P352 E356	P352-V354 PolarHBondContact O-N 3.35Å; V354-E356 HydrophobicContact CG1-CG 3.55Å
355	E	42.9	Very low	43.8	Very low	193 Å²	193	139.6 Å²	139.6	90%	0.902	74%	0.739	S	S	*	*			trans	-122.7	98.5	141	-153.8	162.9	-148.5	0	0	105.1	R357	E355-R357 PolarHBondContact O-N 3.35Å
356	E	38.3	Very low	45.8	Very low	158 Å²	158	141.9 Å²	141.9	74%	0.738	73%	0.732	S	S	*	*			trans	-58.4	101.7	-179.6	-58.1	-178.2	157.1	0	0	107.8	V354 K358	V354-E356 HydrophobicContact CG1-CG 3.55Å; E356-K358 VanDerWaalsContact C-N 3.31Å; E356-K358 PolarHBondContact O-N 2.94Å
357	R	39	Very low	47.6	Very low	230 Å²	230	138.1 Å²	138.1	87%	0.868	69%	0.693	S	S	*	*			trans	-57	108.6	154.3	-67.4	-172.3	-162.1	-165.4	6.1	105	E355 L359	E355-R357 PolarHBondContact O-N 3.35Å; R357-L359 PolarHBondContact O-N 2.87Å
358	K	36.3	Very low	49.5	Very low	192 Å²	192	134.7 Å²	134.7	84%	0.835	68%	0.68	S	S	*	*			trans	-62.8	76.9	166.3	-68.7	178.9	-179.1	176.9	0	107.9	E356 K360	E356-K358 VanDerWaalsContact C-N 3.31Å; E356-K358 PolarHBondContact O-N 2.94Å; K358-K360 PolarHBondContact O-N 3.34Å
359	L	44.3	Very low	52.1	Low	154 Å²	154	130.5 Å²	130.5	81%	0.806	67%	0.665	S	S	*	*			trans	-57.9	107.9	154.6	-75.2	161.4	0	0	0	104.4	R357 P361	R357-L359 PolarHBondContact O-N 2.87Å; L359-P361 WeakPolarHBondContact O-CD 3.49Å; L359-P361 VanDerWaalsContact O-N 3.08Å
360	K	35.7	Very low	54.4	Low	194 Å²	194	128.3 Å²	128.3	84%	0.843	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-53.3	119.9	167.5	-68.6	179.9	-178.7	176.3	0	105.4	K358 K362	K358-K360 PolarHBondContact O-N 3.34Å; K360-K362 PolarHBondContact O-N 3.41Å; K360-K362 VanDerWaalsContact O-N 3.13Å
361	P	42.4	Very low	56.5	Low	119 Å²	119	128.1 Å²	128.1	77%	0.773	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-58	125.3	177.6	22	-30.5	0	0	0	107.4	L359 A363	L359-P361 WeakPolarHBondContact O-CD 3.49Å; L359-P361 VanDerWaalsContact O-N 3.08Å; P361-A363 PolarHBondContact O-N 2.84Å
362	K	49.7	Very low	58.8	Low	176 Å²	176	124.1 Å²	124.1	77%	0.765	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-50.7	117	166.4	-72	-177.9	178.4	-177.4	0	105.6	K360 S364 M375	K360-K362 PolarHBondContact O-N 3.41Å; K360-K362 VanDerWaalsContact O-N 3.13Å; K362-S364 PolarHBondContact O-N 3.22Å; K362-M375 HydrophobicContact CB-CE 4.03Å
363	A	60.4	Low	61	Low	49 Å²	49	122.6 Å²	122.6	41%	0.405	62%	0.616	S	S	.	*			trans	-57.5	103	-174.9	0	0	0	0	0	108.5	P361 G376	P361-A363 PolarHBondContact O-N 2.84Å; A363-G376 PolarHBondContact O-N 3.3Å
364	S	69.6	Low	62.6	Low	72 Å²	72	116 Å²	116	50%	0.503	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.6	119.8	173.1	50.1	0	0	0	0	106.4	K362 I374	K362-S364 PolarHBondContact O-N 3.22Å; S364-I374 CarbonylContact C-O 3.43Å; S364-I374 WeakPolarHBondContact CA-O 3.4Å
365	Q	75.6	Confident	64.3	Low	87 Å²	87	115.3 Å²	115.3	41%	0.407	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.8	125.5	-177.2	-70.3	-93.3	-23.9	0	0	107.2	I374 L380	Q365-I374 PolarHBondContact N-O 3.34Å; Q365-I374 WeakPolarHBondContact O-CA 3.48Å; Q365-I374 WeakPolarHBondContact O-CB 3.48Å; Q365-I374 PolarHBondContact O-N 3.07Å; Q365-L380 HydrophobicContact CB-CB 4.15Å; Q365-L380 HydrophobicContact CB-CD2 4.01Å; Q365-L380 HydrophobicContact CB-CG 4.49Å
366	Q	79.4	Confident	65.8	Low	113 Å²	113	107.2 Å²	107.2	53%	0.528	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130	176.5	-170.6	174.5	19.8	0	0	109.5	H371	Q366-H371 WeakPolarHBondContact CG-O 3.5Å; Q366-H371 PolarHBondContact NE2-O 3.17Å
367	C	81.1	Confident	67.1	Low	1 Å²	1	103 Å²	103	1%	0.007	53%	0.533	C	S	.	.			trans	-61.9	128.9	172.9	177	0	0	0	0	110.3	I369 C370 H371 K372 I374 L380 H383 M384	C367-I369 PolarHBondContact O-N 2.92Å; C367-I369 PolarHBondContact SG-N 2.76Å; C367-C370 PolarHBondContact SG-N 3.44Å; C367-C370 VanDerWaalsContact SG-SG 3.7Å; C367-H371 WeakPolarHBondContact O-CA 3.22Å; C367-H371 PolarHBondContact O-N 3.16Å; C367-K372 PolarHBondContact N-O 3.3Å; C367-I374 HydrophobicContact CB-CD1 4.05Å; C367-L380 HydrophobicContact CB-CD1 4.27Å; C367-H383 VanDerWaalsContact SG-CD2 3.51Å; C367-H383 PolarHBondContact SG-NE2 2.75Å; C367-M384 VanDerWaalsContact SG-SD 3.69Å
368	P	79.9	Confident	68.7	Low	90 Å²	90	95.2 Å²	95.2	58%	0.584	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.1	178.8	27.5	-34.4	0	0	0	113.9	M384	P368-M384 HydrophobicContact CG-CE 4.11Å; P368-M384 HydrophobicContact CG-SD 4.04Å
369	I	83.7	Confident	70.7	Confident	93 Å²	93	87.3 Å²	87.3	48%	0.477	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-50.1	-175.4	-57.9	175.3	0	0	0	111.4	C367 M384 H387	C367-I369 PolarHBondContact O-N 2.92Å; C367-I369 PolarHBondContact SG-N 2.76Å; I369-M384 HydrophobicContact CD1-CE 3.45Å; I369-M384 VanDerWaalsContact CD1-CE 3.45Å; I369-M384 HydrophobicContact CD1-SD 4.33Å; I369-M384 HydrophobicContact CG1-CE 4.08Å; I369-H387 HydrophobicContact CD1-CB 3.45Å; I369-H387 VanDerWaalsContact CD1-CB 3.45Å; I369-H387 HydrophobicContact CG2-CB 4.34Å; I369-H387 WeakPolarHBondContact CG2-ND1 3.42Å
370	C	84.3	Confident	72.4	Confident	55 Å²	55	81.3 Å²	81.3	37%	0.372	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	3.8	-177.9	73.7	0	0	0	0	114.3	C367 K372 H383	C367-C370 PolarHBondContact SG-N 3.44Å; C367-C370 VanDerWaalsContact SG-SG 3.7Å; C370-K372 PolarHBondContact O-N 3.07Å; C370-K372 VanDerWaalsContact SG-CB 3.58Å; C370-H383 VanDerWaalsContact SG-CE1 3.54Å; C370-H383 PolarHBondContact SG-NE2 3.43Å
371	H	80.8	Confident	74.5	Confident	122 Å²	122	75.7 Å²	75.7	57%	0.565	44%	0.441	S	S	*	.			trans	57.4	11.9	177.2	-61.8	-62.2	0	0	0	115.6	Q366 C367	Q366-H371 WeakPolarHBondContact CG-O 3.5Å; Q366-H371 PolarHBondContact NE2-O 3.17Å; C367-H371 WeakPolarHBondContact O-CA 3.22Å; C367-H371 PolarHBondContact O-N 3.16Å
372	K	81.6	Confident	76.2	Confident	118 Å²	118	73 Å²	73	51%	0.513	42%	0.416	S	S	.	.			trans	-69.8	132.8	175.6	-159	178.2	-168.9	-169.8	0	108.8	E162 C367 C370 I374	E162-K372 IonicContact OE1-NZ 3.63Å; C367-K372 PolarHBondContact N-O 3.3Å; C370-K372 PolarHBondContact O-N 3.07Å; C370-K372 VanDerWaalsContact SG-CB 3.58Å; K372-I374 PolarHBondContact O-N 3.35Å
373	V	81.9	Confident	77.8	Confident	91 Å²	91	65.7 Å²	65.7	55%	0.552	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.1	177.1	-178.7	0	0	0	0	108	M375	V373-M375 HydrophobicContact CG1-SD 4.4Å
374	I	83	Confident	78.7	Confident	16 Å²	16	65.6 Å²	65.6	8%	0.082	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.8	-178.3	-61.5	158.4	0	0	0	107.5	S364 Q365 C367 K372 K379 L380 H383	S364-I374 CarbonylContact C-O 3.43Å; S364-I374 WeakPolarHBondContact CA-O 3.4Å; Q365-I374 PolarHBondContact N-O 3.34Å; Q365-I374 WeakPolarHBondContact O-CA 3.48Å; Q365-I374 WeakPolarHBondContact O-CB 3.48Å; Q365-I374 PolarHBondContact O-N 3.07Å; C367-I374 HydrophobicContact CB-CD1 4.05Å; K372-I374 PolarHBondContact O-N 3.35Å; I374-K379 HydrophobicContact CG2-CB 3.38Å; I374-K379 HydrophobicContact CG2-CD 4.37Å; I374-K379 HydrophobicContact CG2-CG 4.47Å; I374-L380 HydrophobicContact CD1-CD1 3.63Å; I374-H383 HydrophobicContact CD1-CB 3.49Å; I374-H383 VanDerWaalsContact CD1-CB 3.49Å; I374-H383 WeakPolarHBondContact CD1-CD2 3.35Å; I374-H383 HydrophobicContact CG1-CB 4.48Å
375	M	80.3	Confident	79.3	Confident	98 Å²	98	65.8 Å²	65.8	48%	0.483	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.6	-179.1	-63.7	-60.6	-64.2	0	0	108.7	K362 V373 K379	K362-M375 HydrophobicContact CB-CE 4.03Å; V373-M375 HydrophobicContact CG1-SD 4.4Å; M375-K379 WeakPolarHBondContact O-CD 3.37Å; M375-K379 WeakPolarHBondContact O-CE 3.5Å
376	G	74.3	Confident	79.5	Confident	24 Å²	24	65.3 Å²	65.3	25%	0.247	37%	0.369	C	S	.	.	S	Bend	trans	109.8	130.7	178.2	0	0	0	0	0	113.2	A363 G378 K379	A363-G376 PolarHBondContact O-N 3.3Å; G376-G378 PolarHBondContact O-N 2.82Å; G376-K379 PolarHBondContact O-N 2.98Å
377	A	66.3	Low	79.5	Confident	70 Å²	70	63.2 Å²	63.2	58%	0.579	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-32.7	-172.2	0	0	0	0	0	113.6	K379	A377-K379 VanDerWaalsContact C-N 3.33Å; A377-K379 PolarHBondContact O-N 3.48Å
378	G	72.9	Confident	79.3	Confident	65 Å²	65	66.9 Å²	66.9	67%	0.67	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-12	178.9	0	0	0	0	0	115.1	G376	G376-G378 PolarHBondContact O-N 2.82Å
379	K	77.1	Confident	79.2	Confident	26 Å²	26	64.9 Å²	64.9	11%	0.113	38%	0.377	C	S	.	.	H	α-helix	trans	-90.6	-24.7	-173.6	-53.4	-165.3	-161.9	-151.5	0	114.1	E158 E160 I374 M375 G376 A377 R382 H383	E158-K379 WeakPolarHBondContact OE1-CE 3.49Å; E158-K379 IonicContact OE1-NZ 3.02Å; E158-K379 PolarHBondContact OE1-NZ 2.82Å; E158-K379 WeakPolarHBondContact OE2-CE 3.17Å; E158-K379 IonicContact OE2-NZ 3.54Å; E158-K379 PolarHBondContact OE2-NZ 3.34Å; E160-K379 WeakPolarHBondContact OE1-CD 3.35Å; E160-K379 IonicContact OE1-NZ 2.72Å; E160-K379 PolarHBondContact OE1-NZ 3.24Å; I374-K379 HydrophobicContact CG2-CB 3.38Å; I374-K379 HydrophobicContact CG2-CD 4.37Å; I374-K379 HydrophobicContact CG2-CG 4.47Å; M375-K379 WeakPolarHBondContact O-CD 3.37Å; M375-K379 WeakPolarHBondContact O-CE 3.5Å; G376-K379 PolarHBondContact O-N 2.98Å; A377-K379 VanDerWaalsContact C-N 3.33Å; A377-K379 PolarHBondContact O-N 3.48Å; K379-R382 PolarHBondContact O-N 3.03Å; K379-H383 WeakPolarHBondContact O-CB 3.16Å; K379-H383 PolarHBondContact O-N 3.26Å
380	L	80.3	Confident	78.9	Confident	29 Å²	29	66.1 Å²	66.1	15%	0.152	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-48	177.8	176.4	70	0	0	0	111.4	Q365 C367 I374 R382 H383 M384	Q365-L380 HydrophobicContact CB-CB 4.15Å; Q365-L380 HydrophobicContact CB-CD2 4.01Å; Q365-L380 HydrophobicContact CB-CG 4.49Å; C367-L380 HydrophobicContact CB-CD1 4.27Å; I374-L380 HydrophobicContact CD1-CD1 3.63Å; L380-R382 VanDerWaalsContact C-N 3.3Å; L380-R382 PolarHBondContact O-N 3.25Å; L380-H383 PolarHBondContact O-N 3.37Å; L380-M384 HydrophobicContact CD1-CG 4.18Å; L380-M384 HydrophobicContact CD1-SD 4.37Å; L380-M384 HydrophobicContact CG-CG 4.29Å; L380-M384 VanDerWaalsContact O-CG 3.23Å; L380-M384 WeakPolarHBondContact O-CG 3.21Å; L380-M384 PolarHBondContact O-N 3.43Å
381	P	79.3	Confident	78.8	Confident	75 Å²	75	68.7 Å²	68.7	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-58.3	-39.9	176.3	-24.8	34.5	0	0	0	113.2	M384 R385	P381-M384 PolarHBondContact O-N 3.2Å; P381-R385 PolarHBondContact O-N 3.27Å
382	R	79.8	Confident	78.8	Confident	64 Å²	64	66 Å²	66	24%	0.242	38%	0.379	C	S	.	.	H	α-helix	trans	-61.3	-49.8	175.4	179	175.9	71.4	-147.4	5.2	111.3	E160 K379 L380 M384 R385	E160-R382 IonicContact OE1-NH2 2.8Å; E160-R382 PolarHBondContact OE1-NH2 3.48Å; E160-R382 VanDerWaalsContact OE1-NH2 3.15Å; E160-R382 IonicContact OE2-CZ 3.72Å; E160-R382 IonicContact OE2-NH2 2.75Å; E160-R382 PolarHBondContact OE2-NH2 3.11Å; K379-R382 PolarHBondContact O-N 3.03Å; L380-R382 VanDerWaalsContact C-N 3.3Å; L380-R382 PolarHBondContact O-N 3.25Å; R382-M384 VanDerWaalsContact C-N 3.28Å; R382-M384 PolarHBondContact O-N 3.48Å; R382-R385 WeakPolarHBondContact O-CB 3.04Å; R382-R385 PolarHBondContact O-N 2.79Å; R382-R385 VanDerWaalsContact O-N 3.14Å
383	H	81.8	Confident	78.8	Confident	22 Å²	22	63 Å²	63	10%	0.102	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-36.7	176.6	175.5	80.4	0	0	0	112	C367 C370 I374 K379 L380 R385 T386 H387	C367-H383 VanDerWaalsContact SG-CD2 3.51Å; C367-H383 PolarHBondContact SG-NE2 2.75Å; C370-H383 VanDerWaalsContact SG-CE1 3.54Å; C370-H383 PolarHBondContact SG-NE2 3.43Å; I374-H383 HydrophobicContact CD1-CB 3.49Å; I374-H383 VanDerWaalsContact CD1-CB 3.49Å; I374-H383 WeakPolarHBondContact CD1-CD2 3.35Å; I374-H383 HydrophobicContact CG1-CB 4.48Å; K379-H383 WeakPolarHBondContact O-CB 3.16Å; K379-H383 PolarHBondContact O-N 3.26Å; L380-H383 PolarHBondContact O-N 3.37Å; H383-R385 PolarHBondContact O-N 2.91Å; H383-R385 VanDerWaalsContact O-N 3.15Å; H383-T386 WeakPolarHBondContact O-CB 3.27Å; H383-T386 PolarHBondContact O-N 3.42Å; H383-T386 PolarHBondContact O-OG1 3.48Å; H383-H387 AromaticContact CD2-NE2 3.79Å; H383-H387 AromaticContact CE1-NE2 3.74Å; H383-H387 AromaticContact NE2-CD2 3.75Å; H383-H387 AromaticContact NE2-NE2 3.04Å; H383-H387 PolarHBondContact NE2-NE2 3.41Å
384	M	79.6	Confident	79.1	Confident	47 Å²	47	62.7 Å²	62.7	23%	0.232	36%	0.358	C	S	.	.	H	α-helix	trans	-60.9	-25.9	177.2	-71	-60.4	-63.2	0	0	112.9	C367 P368 I369 L380 P381 R382 T386 H387 T388	C367-M384 VanDerWaalsContact SG-SD 3.69Å; P368-M384 HydrophobicContact CG-CE 4.11Å; P368-M384 HydrophobicContact CG-SD 4.04Å; I369-M384 HydrophobicContact CD1-CE 3.45Å; I369-M384 VanDerWaalsContact CD1-CE 3.45Å; I369-M384 HydrophobicContact CD1-SD 4.33Å; I369-M384 HydrophobicContact CG1-CE 4.08Å; L380-M384 HydrophobicContact CD1-CG 4.18Å; L380-M384 HydrophobicContact CD1-SD 4.37Å; L380-M384 HydrophobicContact CG-CG 4.29Å; L380-M384 VanDerWaalsContact O-CG 3.23Å; L380-M384 WeakPolarHBondContact O-CG 3.21Å; L380-M384 PolarHBondContact O-N 3.43Å; P381-M384 PolarHBondContact O-N 3.2Å; R382-M384 VanDerWaalsContact C-N 3.28Å; R382-M384 PolarHBondContact O-N 3.48Å; M384-T386 PolarHBondContact O-N 3.05Å; M384-H387 PolarHBondContact O-N 3.16Å; M384-H387 VanDerWaalsContact O-N 3.11Å; M384-T388 PolarHBondContact O-N 3.45Å; M384-T388 VanDerWaalsContact O-N 3.12Å; M384-T388 PolarHBondContact O-OG1 3.4Å
385	R	82.3	Confident	79.3	Confident	75 Å²	75	61.9 Å²	61.9	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-65.5	-22.5	174.4	-61.8	177.9	-175.2	165.2	3.8	113.4	P381 R382 H383 H387 T388 G389 T403	P381-R385 PolarHBondContact O-N 3.27Å; R382-R385 WeakPolarHBondContact O-CB 3.04Å; R382-R385 PolarHBondContact O-N 2.79Å; R382-R385 VanDerWaalsContact O-N 3.14Å; H383-R385 PolarHBondContact O-N 2.91Å; H383-R385 VanDerWaalsContact O-N 3.15Å; R385-H387 VanDerWaalsContact C-N 3.28Å; R385-T388 WeakPolarHBondContact CA-OG1 3.18Å; R385-G389 WeakPolarHBondContact O-CA 3.44Å; R385-G389 PolarHBondContact O-N 3.04Å; R385-T403 PolarHBondContact NH1-O 3.17Å
386	T	79.4	Confident	79.3	Confident	78 Å²	78	63.2 Å²	63.2	48%	0.479	37%	0.368	S	S	.	.	H	α-helix	trans	-70.6	-28.6	173.9	70.9	0	0	0	0	111.5	H383 M384	H383-T386 WeakPolarHBondContact O-CB 3.27Å; H383-T386 PolarHBondContact O-N 3.42Å; H383-T386 PolarHBondContact O-OG1 3.48Å; M384-T386 PolarHBondContact O-N 3.05Å
387	H	79.7	Confident	79.8	Confident	69 Å²	69	66.7 Å²	66.7	32%	0.319	38%	0.38	S	S	.	.	H	α-helix	trans	-85.4	-36.4	177.4	-63.3	-63.4	0	0	0	112.7	I369 H383 M384 R385	I369-H387 HydrophobicContact CD1-CB 3.45Å; I369-H387 VanDerWaalsContact CD1-CB 3.45Å; I369-H387 HydrophobicContact CG2-CB 4.34Å; I369-H387 WeakPolarHBondContact CG2-ND1 3.42Å; H383-H387 AromaticContact CD2-NE2 3.79Å; H383-H387 AromaticContact CE1-NE2 3.74Å; H383-H387 AromaticContact NE2-CD2 3.75Å; H383-H387 AromaticContact NE2-NE2 3.04Å; H383-H387 PolarHBondContact NE2-NE2 3.41Å; M384-H387 PolarHBondContact O-N 3.16Å; M384-H387 VanDerWaalsContact O-N 3.11Å; R385-H387 VanDerWaalsContact C-N 3.28Å
388	T	77.6	Confident	80.7	Confident	77 Å²	77	65.9 Å²	65.9	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-84	-18.5	-179.8	60.1	0	0	0	0	113	M384 R385 E390	M384-T388 PolarHBondContact O-N 3.45Å; M384-T388 VanDerWaalsContact O-N 3.12Å; M384-T388 PolarHBondContact O-OG1 3.4Å; R385-T388 WeakPolarHBondContact CA-OG1 3.18Å; T388-E390 PolarHBondContact O-N 3.32Å; T388-E390 WeakPolarHBondContact OG1-CG 3.37Å
389	G	77.8	Confident	81.1	Confident	49 Å²	49	70.1 Å²	70.1	51%	0.505	37%	0.372	S	S	.	.			trans	68.9	15.1	-176.6	0	0	0	0	0	113.5	R385 K391	R385-G389 WeakPolarHBondContact O-CA 3.44Å; R385-G389 PolarHBondContact O-N 3.04Å; G389-K391 PolarHBondContact O-N 3.19Å
390	E	76.5	Confident	81.5	Confident	119 Å²	119	72 Å²	72	56%	0.556	39%	0.385	S	S	*	.			trans	-68.4	118.7	-179	-74	175.8	179.2	0	0	111	T388 P392	T388-E390 PolarHBondContact O-N 3.32Å; T388-E390 WeakPolarHBondContact OG1-CG 3.37Å; E390-P392 VanDerWaalsContact C-CD 3.5Å; E390-P392 VanDerWaalsContact O-CD 3.24Å; E390-P392 WeakPolarHBondContact O-CD 2.74Å
391	K	81.8	Confident	81.8	Confident	108 Å²	108	76.5 Å²	76.5	47%	0.47	40%	0.4	S	S	.	.			trans	-115.8	79.9	178.2	-66.2	177	176.9	-170.8	0	110	G389 Y393 R401 F402 T403	G389-K391 PolarHBondContact O-N 3.19Å; K391-Y393 VanDerWaalsContact C-N 3.31Å; K391-Y393 PolarHBondContact O-N 3.12Å; K391-R401 HydrophobicContact CB-CB 3.58Å; K391-R401 HydrophobicContact CD-CB 4.28Å; K391-R401 PolarHBondContact O-NE 3.47Å; K391-R401 PolarHBondContact O-NH2 3.11Å; K391-F402 CarbonylContact C-O 3.32Å; K391-F402 VanDerWaalsContact C-O 3.3Å; K391-F402 WeakPolarHBondContact CA-O 3.23Å; K391-T403 HydrophobicContact CG-CG2 3.72Å
392	P	81	Confident	82.1	Confident	65 Å²	65	74.7 Å²	74.7	42%	0.422	39%	0.385	S	S	.	.			trans	-68.9	-28.7	-171.9	23.2	-30.1	0	0	0	113	E390	E390-P392 VanDerWaalsContact C-CD 3.5Å; E390-P392 VanDerWaalsContact O-CD 3.24Å; E390-P392 WeakPolarHBondContact O-CD 2.74Å
393	Y	82.7	Confident	82.3	Confident	57 Å²	57	74 Å²	74	22%	0.224	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131	-175.2	-53.5	-79.1	0	0	0	110.7	K391 R401 F402 Q405	K391-Y393 VanDerWaalsContact C-N 3.31Å; K391-Y393 PolarHBondContact O-N 3.12Å; Y393-R401 CarbonylContact O-C 3.35Å; Y393-R401 WeakPolarHBondContact O-CA 3.23Å; Y393-F402 PolarHBondContact N-O 3.28Å; Y393-F402 VanDerWaalsContact N-O 3.15Å; Y393-F402 PolarHBondContact O-N 3.18Å; Y393-Q405 HydrophobicContact CD1-CB 3.95Å; Y393-Q405 HydrophobicContact CD1-CG 4.32Å; Y393-Q405 HydrophobicContact CE1-CB 3.67Å; Y393-Q405 HydrophobicContact CE1-CG 4.19Å; Y393-Q405 HydrophobicContact CE2-CB 4.27Å; Y393-Q405 HydrophobicContact CG-CB 4.36Å
394	M	87.2	Confident	82.3	Confident	83 Å²	83	76.3 Å²	76.3	41%	0.409	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.8	-178.9	-177.3	-171.4	-66.1	0	0	110.7	T396 R401	M394-T396 PolarHBondContact O-N 3.39Å; M394-R401 HydrophobicContact CB-CG 4.29Å; M394-R401 HydrophobicContact CE-CG 4.26Å; M394-R401 HydrophobicContact CG-CG 4.19Å
395	C	87.4	Confident	82.4	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	41%	0.408	C	S	.	.			trans	-72.1	123.7	168.1	179.7	0	0	0	0	110.2	I397 E399 V400 F402 L408 H411 M412 H415	C395-I397 PolarHBondContact O-N 3.32Å; C395-I397 PolarHBondContact SG-N 3Å; C395-I397 VanDerWaalsContact SG-N 3.4Å; C395-E399 WeakPolarHBondContact O-CA 3.44Å; C395-E399 PolarHBondContact O-N 3.14Å; C395-V400 WeakPolarHBondContact CB-O 3.36Å; C395-V400 PolarHBondContact N-O 3.12Å; C395-F402 HydrophobicContact CB-CE2 4.3Å; C395-L408 HydrophobicContact CB-CD1 3.79Å; C395-H411 PolarHBondContact SG-NE2 2.89Å; C395-M412 HydrophobicContact CB-SD 4.37Å; C395-M412 PolarHBondContact SG-SD 3.28Å; C395-H415 PolarHBondContact SG-NE2 3.28Å; C395-H415 VanDerWaalsContact SG-NE2 3.44Å
396	T	81.8	Confident	82.4	Confident	126 Å²	126	77.5 Å²	77.5	77%	0.773	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.2	178.5	51.8	0	0	0	0	113.8	M394	M394-T396 PolarHBondContact O-N 3.39Å
397	I	83.4	Confident	82.7	Confident	97 Å²	97	78.3 Å²	78.3	50%	0.497	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-38.7	-174.3	-59.3	174.8	0	0	0	112.2	C395 M412 H415	C395-I397 PolarHBondContact O-N 3.32Å; C395-I397 PolarHBondContact SG-N 3Å; C395-I397 VanDerWaalsContact SG-N 3.4Å; I397-M412 HydrophobicContact CD1-CE 3.5Å; I397-M412 HydrophobicContact CG1-CE 4.04Å; I397-H415 HydrophobicContact CD1-CB 3.45Å; I397-H415 VanDerWaalsContact CD1-CB 3.45Å; I397-H415 HydrophobicContact CG2-CB 4.39Å; I397-H415 WeakPolarHBondContact CG2-ND1 3.29Å
398	C	84.6	Confident	83.1	Confident	53 Å²	53	76.4 Å²	76.4	36%	0.358	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	13.7	-179.1	68.6	0	0	0	0	113.9	V400 H411 H415	C398-V400 PolarHBondContact O-N 3.38Å; C398-V400 VanDerWaalsContact SG-CG2 3.55Å; C398-H411 VanDerWaalsContact SG-CE1 3.55Å; C398-H411 PolarHBondContact SG-NE2 3.2Å; C398-H415 PolarHBondContact SG-NE2 3.15Å
399	E	82.6	Confident	83.4	Confident	154 Å²	154	79.7 Å²	79.7	72%	0.72	40%	0.402	S	S	*	.			trans	58.1	5.9	175.2	-58.3	-177.9	173.7	0	0	115.5	C395 R401	C395-E399 WeakPolarHBondContact O-CA 3.44Å; C395-E399 PolarHBondContact O-N 3.14Å; E399-R401 PolarHBondContact O-N 3.13Å
400	V	85.3	Confident	83.8	Confident	65 Å²	65	79.2 Å²	79.2	39%	0.394	39%	0.388	S	S	.	.			trans	-66.1	133.8	176.7	177	0	0	0	0	109.5	C395 C398 F402	C395-V400 WeakPolarHBondContact CB-O 3.36Å; C395-V400 PolarHBondContact N-O 3.12Å; C398-V400 PolarHBondContact O-N 3.38Å; C398-V400 VanDerWaalsContact SG-CG2 3.55Å; V400-F402 HydrophobicContact CB-CE2 4.14Å; V400-F402 HydrophobicContact CB-CZ 4.16Å; V400-F402 HydrophobicContact CG1-CE1 4.1Å; V400-F402 HydrophobicContact CG1-CE2 3.77Å; V400-F402 HydrophobicContact CG1-CZ 3.45Å; V400-F402 VanDerWaalsContact CG1-CZ 3.45Å; V400-F402 WeakPolarHBondContact O-CE2 3.48Å
401	R	85.8	Confident	84.2	Confident	123 Å²	123	74.7 Å²	74.7	46%	0.464	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.1	-178.5	-52	-176.2	75	126.1	5.6	111.9	K391 Y393 M394 E399	K391-R401 HydrophobicContact CB-CB 3.58Å; K391-R401 HydrophobicContact CD-CB 4.28Å; K391-R401 PolarHBondContact O-NE 3.47Å; K391-R401 PolarHBondContact O-NH2 3.11Å; Y393-R401 CarbonylContact O-C 3.35Å; Y393-R401 WeakPolarHBondContact O-CA 3.23Å; M394-R401 HydrophobicContact CB-CG 4.29Å; M394-R401 HydrophobicContact CE-CG 4.26Å; M394-R401 HydrophobicContact CG-CG 4.19Å; E399-R401 PolarHBondContact O-N 3.13Å
402	F	85.8	Confident	84.3	Confident	38 Å²	38	71.7 Å²	71.7	17%	0.167	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.1	-178.6	-59.4	-82.9	0	0	0	110.6	K391 Y393 C395 V400 R404 K407 L408 H411	K391-F402 CarbonylContact C-O 3.32Å; K391-F402 VanDerWaalsContact C-O 3.3Å; K391-F402 WeakPolarHBondContact CA-O 3.23Å; Y393-F402 PolarHBondContact N-O 3.28Å; Y393-F402 VanDerWaalsContact N-O 3.15Å; Y393-F402 PolarHBondContact O-N 3.18Å; C395-F402 HydrophobicContact CB-CE2 4.3Å; V400-F402 HydrophobicContact CB-CE2 4.14Å; V400-F402 HydrophobicContact CB-CZ 4.16Å; V400-F402 HydrophobicContact CG1-CE1 4.1Å; V400-F402 HydrophobicContact CG1-CE2 3.77Å; V400-F402 HydrophobicContact CG1-CZ 3.45Å; V400-F402 VanDerWaalsContact CG1-CZ 3.45Å; V400-F402 WeakPolarHBondContact O-CE2 3.48Å; F402-R404 VanDerWaalsContact C-N 3.29Å; F402-K407 HydrophobicContact CB-CB 4.29Å; F402-K407 HydrophobicContact CD1-CB 3.95Å; F402-K407 HydrophobicContact CG-CB 4.33Å; F402-L408 HydrophobicContact CB-CB 4.38Å; F402-L408 HydrophobicContact CD2-CB 3.82Å; F402-L408 HydrophobicContact CD2-CD1 3.79Å; F402-L408 HydrophobicContact CD2-CG 4.4Å; F402-L408 HydrophobicContact CE2-CD1 3.91Å; F402-L408 HydrophobicContact CG-CB 4.27Å; F402-H411 HydrophobicContact CE1-CB 4.05Å; F402-H411 HydrophobicContact CE2-CB 3.83Å; F402-H411 AromaticContact CE2-CD2 3.74Å; F402-H411 AromaticContact CE2-CG 3.63Å; F402-H411 HydrophobicContact CZ-CB 3.45Å; F402-H411 VanDerWaalsContact CZ-CB 3.45Å; F402-H411 AromaticContact CZ-CD2 3.79Å; F402-H411 AromaticContact CZ-CE1 3.99Å; F402-H411 AromaticContact CZ-CG 3.24Å; F402-H411 AromaticContact CZ-ND1 3.41Å; F402-H411 WeakPolarHBondContact CZ-ND1 3.41Å
403	T	83.5	Confident	84.6	Confident	50 Å²	50	70.7 Å²	70.7	31%	0.307	34%	0.342	S	S	.	.	S	Bend	trans	-75.5	-20.5	175.5	52.1	0	0	0	0	112.6	R385 K391	R385-T403 PolarHBondContact NH1-O 3.17Å; K391-T403 HydrophobicContact CG-CG2 3.72Å
404	R	82.1	Confident	84.5	Confident	69 Å²	69	75.6 Å²	75.6	26%	0.26	37%	0.365	S	S	.	.	S	Bend	trans	-136.5	150.6	-176.4	-55.7	163.2	50.4	149.8	1.9	112.5	F402 D406 K407 L408	F402-R404 VanDerWaalsContact C-N 3.29Å; R404-D406 WeakPolarHBondContact CB-OD1 3.44Å; R404-D406 IonicContact CZ-OD1 3.66Å; R404-D406 IonicContact CZ-OD2 3.32Å; R404-D406 VanDerWaalsContact CZ-OD2 3.32Å; R404-D406 IonicContact NE-OD1 2.89Å; R404-D406 PolarHBondContact NE-OD1 3.12Å; R404-D406 IonicContact NE-OD2 3.31Å; R404-D406 PolarHBondContact NE-OD2 3.08Å; R404-D406 IonicContact NH2-OD1 3.59Å; R404-D406 IonicContact NH2-OD2 2.76Å; R404-D406 PolarHBondContact NH2-OD2 2.9Å; R404-K407 HydrophobicContact CB-CG 4.09Å; R404-L408 PolarHBondContact O-N 3.36Å
405	Q	83.3	Confident	84.2	Confident	106 Å²	106	75 Å²	75	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-72.4	-38.6	-177.7	-174.5	166	-23.9	0	0	113.2	Y393 K407 L408 K409	Y393-Q405 HydrophobicContact CD1-CB 3.95Å; Y393-Q405 HydrophobicContact CD1-CG 4.32Å; Y393-Q405 HydrophobicContact CE1-CB 3.67Å; Y393-Q405 HydrophobicContact CE1-CG 4.19Å; Y393-Q405 HydrophobicContact CE2-CB 4.27Å; Y393-Q405 HydrophobicContact CG-CB 4.36Å; Q405-K407 VanDerWaalsContact C-N 3.28Å; Q405-K407 PolarHBondContact O-N 3.09Å; Q405-L408 WeakPolarHBondContact O-CB 3.39Å; Q405-L408 PolarHBondContact O-N 3.27Å; Q405-L408 VanDerWaalsContact O-N 3.15Å; Q405-K409 PolarHBondContact O-N 3.35Å
406	D	82.1	Confident	83.9	Confident	41 Å²	41	78.8 Å²	78.8	22%	0.219	38%	0.384	C	S	.	.	H	α-helix	trans	-57.3	-41.5	174.8	65.3	-43.9	0	0	0	111.7	R404 K409 I410	R404-D406 WeakPolarHBondContact CB-OD1 3.44Å; R404-D406 IonicContact CZ-OD1 3.66Å; R404-D406 IonicContact CZ-OD2 3.32Å; R404-D406 VanDerWaalsContact CZ-OD2 3.32Å; R404-D406 IonicContact NE-OD1 2.89Å; R404-D406 PolarHBondContact NE-OD1 3.12Å; R404-D406 IonicContact NE-OD2 3.31Å; R404-D406 PolarHBondContact NE-OD2 3.08Å; R404-D406 IonicContact NH2-OD1 3.59Å; R404-D406 IonicContact NH2-OD2 2.76Å; R404-D406 PolarHBondContact NH2-OD2 2.9Å; D406-K409 PolarHBondContact O-N 3.13Å; D406-I410 WeakPolarHBondContact O-CB 3.41Å; D406-I410 WeakPolarHBondContact O-CD1 3.46Å; D406-I410 VanDerWaalsContact O-CG1 3.29Å; D406-I410 WeakPolarHBondContact O-CG1 3.37Å; D406-I410 PolarHBondContact O-N 3.01Å
407	K	84.8	Confident	83.9	Confident	95 Å²	95	75.4 Å²	75.4	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-66.1	-39.3	176.5	-57.9	-59.3	179.8	179.7	0	112	F402 R404 Q405 H411	F402-K407 HydrophobicContact CB-CB 4.29Å; F402-K407 HydrophobicContact CD1-CB 3.95Å; F402-K407 HydrophobicContact CG-CB 4.33Å; R404-K407 HydrophobicContact CB-CG 4.09Å; Q405-K407 VanDerWaalsContact C-N 3.28Å; Q405-K407 PolarHBondContact O-N 3.09Å; K407-H411 VanDerWaalsContact O-CB 3.23Å; K407-H411 WeakPolarHBondContact O-CB 3.42Å; K407-H411 PolarHBondContact O-N 3.45Å
408	L	87.7	Confident	83.7	Confident	30 Å²	30	76.3 Å²	76.3	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-48.5	171.7	172.7	60.7	0	0	0	110.8	C395 F402 R404 Q405 I410 H411 M412	C395-L408 HydrophobicContact CB-CD1 3.79Å; F402-L408 HydrophobicContact CB-CB 4.38Å; F402-L408 HydrophobicContact CD2-CB 3.82Å; F402-L408 HydrophobicContact CD2-CD1 3.79Å; F402-L408 HydrophobicContact CD2-CG 4.4Å; F402-L408 HydrophobicContact CE2-CD1 3.91Å; F402-L408 HydrophobicContact CG-CB 4.27Å; R404-L408 PolarHBondContact O-N 3.36Å; Q405-L408 WeakPolarHBondContact O-CB 3.39Å; Q405-L408 PolarHBondContact O-N 3.27Å; Q405-L408 VanDerWaalsContact O-N 3.15Å; L408-I410 VanDerWaalsContact C-N 3.33Å; L408-I410 PolarHBondContact O-N 3.29Å; L408-H411 CarbonylContact O-C 3.55Å; L408-H411 WeakPolarHBondContact O-CA 3.31Å; L408-H411 WeakPolarHBondContact O-CB 3.36Å; L408-H411 PolarHBondContact O-N 2.76Å; L408-M412 HydrophobicContact CD1-CG 4.04Å; L408-M412 HydrophobicContact CD1-SD 4.14Å; L408-M412 HydrophobicContact CG-CG 4.36Å; L408-M412 VanDerWaalsContact O-CG 3.29Å; L408-M412 WeakPolarHBondContact O-CG 3.49Å; L408-M412 PolarHBondContact O-N 2.95Å
409	K	85	Confident	83.7	Confident	145 Å²	145	80.3 Å²	80.3	63%	0.63	38%	0.384	S	S	*	.	H	α-helix	trans	-58.3	-43.7	179.7	-172.4	177	-175.9	177.5	0	112.1	Q405 D406 M412 R413	Q405-K409 PolarHBondContact O-N 3.35Å; D406-K409 PolarHBondContact O-N 3.13Å; K409-M412 PolarHBondContact O-N 3.5Å; K409-R413 PolarHBondContact O-N 3.26Å
410	I	84.7	Confident	83.7	Confident	40 Å²	40	76.3 Å²	76.3	21%	0.205	37%	0.371	C	S	.	.	H	α-helix	trans	-61.5	-47	172.7	-75	164.7	0	0	0	111	D406 L408 M412 R413 H432	D406-I410 WeakPolarHBondContact O-CB 3.41Å; D406-I410 WeakPolarHBondContact O-CD1 3.46Å; D406-I410 VanDerWaalsContact O-CG1 3.29Å; D406-I410 WeakPolarHBondContact O-CG1 3.37Å; D406-I410 PolarHBondContact O-N 3.01Å; L408-I410 VanDerWaalsContact C-N 3.33Å; L408-I410 PolarHBondContact O-N 3.29Å; I410-M412 VanDerWaalsContact C-N 3.27Å; I410-M412 PolarHBondContact O-N 2.9Å; I410-R413 VanDerWaalsContact O-CB 3.25Å; I410-R413 WeakPolarHBondContact O-CB 3.45Å; I410-R413 PolarHBondContact O-N 3.19Å; I410-R413 VanDerWaalsContact O-N 3.07Å; I410-H432 WeakPolarHBondContact CG2-CE1 3.41Å
411	H	86.4	Confident	83.7	Confident	24 Å²	24	76.5 Å²	76.5	11%	0.111	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-38.8	179	172.1	88.3	0	0	0	111.5	C395 C398 F402 K407 L408 R413 K414 H415	C395-H411 PolarHBondContact SG-NE2 2.89Å; C398-H411 VanDerWaalsContact SG-CE1 3.55Å; C398-H411 PolarHBondContact SG-NE2 3.2Å; F402-H411 HydrophobicContact CE1-CB 4.05Å; F402-H411 HydrophobicContact CE2-CB 3.83Å; F402-H411 AromaticContact CE2-CD2 3.74Å; F402-H411 AromaticContact CE2-CG 3.63Å; F402-H411 HydrophobicContact CZ-CB 3.45Å; F402-H411 VanDerWaalsContact CZ-CB 3.45Å; F402-H411 AromaticContact CZ-CD2 3.79Å; F402-H411 AromaticContact CZ-CE1 3.99Å; F402-H411 AromaticContact CZ-CG 3.24Å; F402-H411 AromaticContact CZ-ND1 3.41Å; F402-H411 WeakPolarHBondContact CZ-ND1 3.41Å; K407-H411 VanDerWaalsContact O-CB 3.23Å; K407-H411 WeakPolarHBondContact O-CB 3.42Å; K407-H411 PolarHBondContact O-N 3.45Å; L408-H411 CarbonylContact O-C 3.55Å; L408-H411 WeakPolarHBondContact O-CA 3.31Å; L408-H411 WeakPolarHBondContact O-CB 3.36Å; L408-H411 PolarHBondContact O-N 2.76Å; H411-R413 PolarHBondContact O-N 3.31Å; H411-K414 VanDerWaalsContact O-CB 3.25Å; H411-K414 WeakPolarHBondContact O-CB 3.45Å; H411-K414 PolarHBondContact O-N 3.3Å; H411-H415 AromaticContact CD2-NE2 3.84Å; H411-H415 AromaticContact CE1-NE2 3.92Å; H411-H415 AromaticContact NE2-CD2 3.74Å; H411-H415 AromaticContact NE2-NE2 3.11Å; H411-H415 PolarHBondContact NE2-NE2 2.97Å; H411-H415 VanDerWaalsContact NE2-NE2 3.11Å
412	M	84.3	Confident	83.9	Confident	45 Å²	45	75 Å²	75	22%	0.222	37%	0.366	C	S	.	.	H	α-helix	trans	-59.2	-28	175.6	-68.6	-55.4	-68	0	0	112.7	C395 I397 L408 K409 I410 K414 H415 T416	C395-M412 HydrophobicContact CB-SD 4.37Å; C395-M412 PolarHBondContact SG-SD 3.28Å; I397-M412 HydrophobicContact CD1-CE 3.5Å; I397-M412 HydrophobicContact CG1-CE 4.04Å; L408-M412 HydrophobicContact CD1-CG 4.04Å; L408-M412 HydrophobicContact CD1-SD 4.14Å; L408-M412 HydrophobicContact CG-CG 4.36Å; L408-M412 VanDerWaalsContact O-CG 3.29Å; L408-M412 WeakPolarHBondContact O-CG 3.49Å; L408-M412 PolarHBondContact O-N 2.95Å; K409-M412 PolarHBondContact O-N 3.5Å; I410-M412 VanDerWaalsContact C-N 3.27Å; I410-M412 PolarHBondContact O-N 2.9Å; M412-K414 PolarHBondContact O-N 3.04Å; M412-H415 PolarHBondContact O-N 3.02Å; M412-T416 PolarHBondContact O-N 3.32Å; M412-T416 PolarHBondContact O-OG1 3.21Å
413	R	85.4	Confident	84	Confident	44 Å²	44	73.2 Å²	73.2	17%	0.166	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-23.9	173.1	-59.8	179.7	-177.9	163.5	3.1	113.3	K409 I410 H411 H415 T416 G417 E418 V431	K409-R413 PolarHBondContact O-N 3.26Å; I410-R413 VanDerWaalsContact O-CB 3.25Å; I410-R413 WeakPolarHBondContact O-CB 3.45Å; I410-R413 PolarHBondContact O-N 3.19Å; I410-R413 VanDerWaalsContact O-N 3.07Å; H411-R413 PolarHBondContact O-N 3.31Å; R413-H415 VanDerWaalsContact C-N 3.29Å; R413-T416 WeakPolarHBondContact CA-OG1 3.32Å; R413-G417 WeakPolarHBondContact O-CA 3.46Å; R413-G417 PolarHBondContact O-N 3.04Å; R413-E418 HydrophobicContact CB-CB 4.42Å; R413-E418 HydrophobicContact CG-CB 4.31Å; R413-E418 PolarHBondContact O-N 3.22Å; R413-V431 HydrophobicContact CB-CG1 3.8Å; R413-V431 PolarHBondContact NH1-O 2.89Å; R413-V431 VanDerWaalsContact NH1-O 3.09Å
414	K	80.9	Confident	84	Confident	159 Å²	159	77.4 Å²	77.4	69%	0.691	38%	0.377	S	S	*	.	H	α-helix	trans	-67.5	-32.7	172.4	-63.9	-175.4	177.2	-177.4	0	111.8	H411 M412	H411-K414 VanDerWaalsContact O-CB 3.25Å; H411-K414 WeakPolarHBondContact O-CB 3.45Å; H411-K414 PolarHBondContact O-N 3.3Å; M412-K414 PolarHBondContact O-N 3.04Å
415	H	82.4	Confident	83.8	Confident	72 Å²	72	80.2 Å²	80.2	33%	0.333	39%	0.393	S	S	.	.	H	α-helix	trans	-84.4	-40.9	179.3	-63.7	-62.1	0	0	0	112.3	C395 I397 C398 H411 M412 R413 G417	C395-H415 PolarHBondContact SG-NE2 3.28Å; C395-H415 VanDerWaalsContact SG-NE2 3.44Å; I397-H415 HydrophobicContact CD1-CB 3.45Å; I397-H415 VanDerWaalsContact CD1-CB 3.45Å; I397-H415 HydrophobicContact CG2-CB 4.39Å; I397-H415 WeakPolarHBondContact CG2-ND1 3.29Å; C398-H415 PolarHBondContact SG-NE2 3.15Å; H411-H415 AromaticContact CD2-NE2 3.84Å; H411-H415 AromaticContact CE1-NE2 3.92Å; H411-H415 AromaticContact NE2-CD2 3.74Å; H411-H415 AromaticContact NE2-NE2 3.11Å; H411-H415 PolarHBondContact NE2-NE2 2.97Å; H411-H415 VanDerWaalsContact NE2-NE2 3.11Å; M412-H415 PolarHBondContact O-N 3.02Å; R413-H415 VanDerWaalsContact C-N 3.29Å; H415-G417 VanDerWaalsContact C-N 3.32Å
416	T	81.1	Confident	83.9	Confident	79 Å²	79	78.1 Å²	78.1	49%	0.485	39%	0.389	S	S	.	.	H	α-helix	trans	-79.3	-16.6	179	60.2	0	0	0	0	113	M412 R413 E418	M412-T416 PolarHBondContact O-N 3.32Å; M412-T416 PolarHBondContact O-OG1 3.21Å; R413-T416 WeakPolarHBondContact CA-OG1 3.32Å; T416-E418 PolarHBondContact O-N 3.37Å; T416-E418 WeakPolarHBondContact OG1-CG 3.34Å
417	G	80.5	Confident	83.9	Confident	54 Å²	54	82.2 Å²	82.2	56%	0.557	41%	0.411	S	S	*	.			trans	71.7	11	-175.9	0	0	0	0	0	113.6	R413 H415 R419	R413-G417 WeakPolarHBondContact O-CA 3.46Å; R413-G417 PolarHBondContact O-N 3.04Å; H415-G417 VanDerWaalsContact C-N 3.32Å; G417-R419 PolarHBondContact O-N 2.75Å
418	E	79.9	Confident	84	Confident	117 Å²	117	79 Å²	79	55%	0.547	40%	0.403	S	S	.	.			trans	-65.2	121.9	179.6	-75.5	176.3	-171.1	0	0	111.3	R413 T416	R413-E418 HydrophobicContact CB-CB 4.42Å; R413-E418 HydrophobicContact CG-CB 4.31Å; R413-E418 PolarHBondContact O-N 3.22Å; T416-E418 PolarHBondContact O-N 3.37Å; T416-E418 WeakPolarHBondContact OG1-CG 3.34Å
419	R	84.3	Confident	83.9	Confident	137 Å²	137	83.2 Å²	83.2	52%	0.517	42%	0.42	S	S	.	.			trans	-126.8	80.4	178.4	-71.4	177.3	138.2	-166.1	-6.7	109.1	G417 Y421 K429 F430 V431	G417-R419 PolarHBondContact O-N 2.75Å; R419-Y421 PolarHBondContact O-N 2.98Å; R419-K429 HydrophobicContact CB-CB 3.55Å; R419-K429 HydrophobicContact CG-CB 4.38Å; R419-K429 VanDerWaalsContact CZ-O 3.26Å; R419-K429 PolarHBondContact NE-O 2.12Å; R419-K429 PolarHBondContact NH1-O 2.99Å; R419-F430 CarbonylContact C-O 3.35Å; R419-F430 WeakPolarHBondContact CA-O 3.47Å; R419-V431 HydrophobicContact CG-CG2 3.81Å
420	P	82.6	Confident	83.9	Confident	70 Å²	70	78 Å²	78	46%	0.455	40%	0.397	S	S	.	.			trans	-70.7	-20.8	-170.8	25.9	-32.1	0	0	0	112.9
421	Y	85.5	Confident	83.9	Confident	68 Å²	68	77.4 Å²	77.4	27%	0.267	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.2	-175.3	-55.2	-73.6	0	0	0	110.7	R419 K429 F430 V431 N433	R419-Y421 PolarHBondContact O-N 2.98Å; Y421-K429 CarbonylContact O-C 3.59Å; Y421-K429 WeakPolarHBondContact O-CA 3.46Å; Y421-F430 PolarHBondContact N-O 3.11Å; Y421-F430 PolarHBondContact O-N 2.91Å; Y421-V431 WeakPolarHBondContact CD2-O 3.28Å; Y421-V431 VanDerWaalsContact CE2-O 3.25Å; Y421-V431 WeakPolarHBondContact CE2-O 3.41Å; Y421-N433 HydrophobicContact CD1-CB 3.98Å; Y421-N433 HydrophobicContact CE1-CB 3.71Å; Y421-N433 HydrophobicContact CE2-CB 4.4Å; Y421-N433 VanDerWaalsContact CE2-N 3.33Å; Y421-N433 HydrophobicContact CG-CB 4.45Å
422	L	88.8	Confident	83.8	Confident	92 Å²	92	79.7 Å²	79.7	48%	0.482	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.2	-173.9	-60.6	169.4	0	0	0	110.7	K429	L422-K429 HydrophobicContact CD2-CB 3.9Å; L422-K429 HydrophobicContact CD2-CD 3.57Å; L422-K429 HydrophobicContact CD2-CG 3.38Å
423	C	88.3	Confident	83.7	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	42%	0.417	C	S	.	.			trans	-81.9	121.6	169.7	175.6	0	0	0	0	110.4	H425 C426 N427 A428 F430 L436 H439 M440 H443	C423-H425 VanDerWaalsContact C-N 3.29Å; C423-H425 PolarHBondContact O-N 3.37Å; C423-C426 VanDerWaalsContact SG-SG 3.66Å; C423-N427 WeakPolarHBondContact O-CA 3.48Å; C423-N427 PolarHBondContact O-N 3.26Å; C423-A428 HydrophobicContact CB-CB 4.19Å; C423-A428 WeakPolarHBondContact CB-O 3.44Å; C423-A428 PolarHBondContact N-O 3.39Å; C423-F430 HydrophobicContact CB-CE2 4.06Å; C423-L436 HydrophobicContact CB-CD1 3.75Å; C423-H439 PolarHBondContact SG-CD2 3.34Å; C423-H439 PolarHBondContact SG-NE2 3.31Å; C423-M440 VanDerWaalsContact SG-SD 3.66Å; C423-H443 PolarHBondContact SG-NE2 2.79Å; C423-H443 VanDerWaalsContact SG-NE2 3.38Å
424	I	83.1	Confident	83.6	Confident	138 Å²	138	84.7 Å²	84.7	71%	0.708	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.2	-176.2	-58	169.1	0	0	0	111.9
425	H	79.4	Confident	83.8	Confident	128 Å²	128	79.4 Å²	79.4	59%	0.593	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-27.5	-175.6	-65.9	-85.6	0	0	0	114	C423 M440	C423-H425 VanDerWaalsContact C-N 3.29Å; C423-H425 PolarHBondContact O-N 3.37Å; H425-M440 WeakPolarHBondContact CD2-CE 3.34Å
426	C	84.4	Confident	84.1	Confident	62 Å²	62	77.3 Å²	77.3	42%	0.419	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	11.1	-178.7	73.5	0	0	0	0	114.4	C423 A428 H439	C423-C426 VanDerWaalsContact SG-SG 3.66Å; C426-A428 PolarHBondContact O-N 2.9Å; C426-A428 VanDerWaalsContact SG-CB 3.51Å; C426-H439 VanDerWaalsContact SG-CE1 3.54Å; C426-H439 PolarHBondContact SG-NE2 2.81Å
427	N	83.4	Confident	84.3	Confident	127 Å²	127	79.7 Å²	79.7	68%	0.679	40%	0.404	S	S	*	.			trans	52.5	21.3	-178.2	-67.9	-20.5	0	0	0	114.8	C423	C423-N427 WeakPolarHBondContact O-CA 3.48Å; C423-N427 PolarHBondContact O-N 3.26Å
428	A	84.9	Confident	84.4	Confident	28 Å²	28	77.4 Å²	77.4	23%	0.231	38%	0.379	C	S	.	.			trans	-68.8	135	174.8	0	0	0	0	0	109.7	C423 C426 F430	C423-A428 HydrophobicContact CB-CB 4.19Å; C423-A428 WeakPolarHBondContact CB-O 3.44Å; C423-A428 PolarHBondContact N-O 3.39Å; C426-A428 PolarHBondContact O-N 2.9Å; C426-A428 VanDerWaalsContact SG-CB 3.51Å; A428-F430 HydrophobicContact CB-CE2 3.66Å; A428-F430 HydrophobicContact CB-CZ 3.7Å; A428-F430 WeakPolarHBondContact O-CE2 3.31Å
429	K	87.1	Confident	84.8	Confident	119 Å²	119	73.3 Å²	73.3	52%	0.517	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.9	-176.7	-41.1	-164	174.4	177.6	0	110.9	R419 Y421 L422	R419-K429 HydrophobicContact CB-CB 3.55Å; R419-K429 HydrophobicContact CG-CB 4.38Å; R419-K429 VanDerWaalsContact CZ-O 3.26Å; R419-K429 PolarHBondContact NE-O 2.12Å; R419-K429 PolarHBondContact NH1-O 2.99Å; Y421-K429 CarbonylContact O-C 3.59Å; Y421-K429 WeakPolarHBondContact O-CA 3.46Å; L422-K429 HydrophobicContact CD2-CB 3.9Å; L422-K429 HydrophobicContact CD2-CD 3.57Å; L422-K429 HydrophobicContact CD2-CG 3.38Å
430	F	85.3	Confident	84.8	Confident	36 Å²	36	69 Å²	69	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151	-176.2	-57.8	-83.6	0	0	0	111.3	R419 Y421 C423 A428 D435 L436 H439	R419-F430 CarbonylContact C-O 3.35Å; R419-F430 WeakPolarHBondContact CA-O 3.47Å; Y421-F430 PolarHBondContact N-O 3.11Å; Y421-F430 PolarHBondContact O-N 2.91Å; C423-F430 HydrophobicContact CB-CE2 4.06Å; A428-F430 HydrophobicContact CB-CE2 3.66Å; A428-F430 HydrophobicContact CB-CZ 3.7Å; A428-F430 WeakPolarHBondContact O-CE2 3.31Å; F430-D435 HydrophobicContact CB-CB 4.05Å; F430-D435 HydrophobicContact CD1-CB 3.78Å; F430-D435 HydrophobicContact CG-CB 4.15Å; F430-L436 HydrophobicContact CB-CB 4.42Å; F430-L436 HydrophobicContact CD2-CB 3.97Å; F430-L436 HydrophobicContact CD2-CD1 3.92Å; F430-L436 HydrophobicContact CE2-CD1 4.1Å; F430-L436 HydrophobicContact CG-CB 4.36Å; F430-H439 HydrophobicContact CE1-CB 3.94Å; F430-H439 HydrophobicContact CE2-CB 3.85Å; F430-H439 AromaticContact CE2-CD2 3.65Å; F430-H439 AromaticContact CE2-CG 3.63Å; F430-H439 HydrophobicContact CZ-CB 3.43Å; F430-H439 VanDerWaalsContact CZ-CB 3.43Å; F430-H439 AromaticContact CZ-CD2 3.66Å; F430-H439 AromaticContact CZ-CE1 4Å; F430-H439 AromaticContact CZ-CG 3.19Å; F430-H439 AromaticContact CZ-ND1 3.45Å; F430-H439 WeakPolarHBondContact CZ-ND1 3.35Å
431	V	84.1	Confident	84.9	Confident	26 Å²	26	67.7 Å²	67.7	16%	0.158	33%	0.331	C	S	.	.	S	Bend	trans	-82.7	-27.5	178.7	-179.4	0	0	0	0	111.3	R413 R419 Y421	R413-V431 HydrophobicContact CB-CG1 3.8Å; R413-V431 PolarHBondContact NH1-O 2.89Å; R413-V431 VanDerWaalsContact NH1-O 3.09Å; R419-V431 HydrophobicContact CG-CG2 3.81Å; Y421-V431 WeakPolarHBondContact CD2-O 3.28Å; Y421-V431 VanDerWaalsContact CE2-O 3.25Å; Y421-V431 WeakPolarHBondContact CE2-O 3.41Å
432	H	83.4	Confident	84.9	Confident	72 Å²	72	69.9 Å²	69.9	33%	0.333	35%	0.347	S	S	.	.	S	Bend	trans	-121.4	148.5	179.7	-66.3	-78	0	0	0	112.9	I410 D435 L436	I410-H432 WeakPolarHBondContact CG2-CE1 3.41Å; H432-D435 HydrophobicContact CB-CB 4.4Å; H432-D435 IonicContact CD2-OD2 3.65Å; H432-D435 PolarHBondContact O-N 3.41Å; H432-L436 PolarHBondContact O-N 3.13Å
433	N	83.5	Confident	84.5	Confident	88 Å²	88	69.1 Å²	69.1	47%	0.471	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-41.4	173.3	-174	-74.7	0	0	0	111.5	Y421 D435 L436 K437	Y421-N433 HydrophobicContact CD1-CB 3.98Å; Y421-N433 HydrophobicContact CE1-CB 3.71Å; Y421-N433 HydrophobicContact CE2-CB 4.4Å; Y421-N433 VanDerWaalsContact CE2-N 3.33Å; Y421-N433 HydrophobicContact CG-CB 4.45Å; N433-D435 VanDerWaalsContact C-N 3.26Å; N433-D435 PolarHBondContact O-N 3.01Å; N433-L436 CarbonylContact O-C 3.6Å; N433-L436 WeakPolarHBondContact O-CA 3.22Å; N433-L436 WeakPolarHBondContact O-CB 2.92Å; N433-L436 PolarHBondContact O-N 3.33Å; N433-K437 PolarHBondContact O-N 3.42Å
434	Y	83.4	Confident	84.1	Confident	106 Å²	106	73.2 Å²	73.2	42%	0.416	37%	0.366	S	S	.	.	H	α-helix	trans	-55.9	-39.9	176.6	174.2	-105.3	0	0	0	112.7	K437 N438	Y434-K437 PolarHBondContact O-N 3.45Å; Y434-N438 WeakPolarHBondContact CE1-ND2 3.45Å; Y434-N438 WeakPolarHBondContact CE2-ND2 3.24Å; Y434-N438 WeakPolarHBondContact O-CB 3.5Å; Y434-N438 PolarHBondContact O-N 2.86Å; Y434-N438 PolarHBondContact OH-ND2 3.24Å; Y434-N438 VanDerWaalsContact OH-ND2 3.15Å
435	D	84.6	Confident	84	Confident	49 Å²	49	69.2 Å²	69.2	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-66.9	-40.3	176.7	-69	-35.1	0	0	0	111.8	F430 H432 N433 N438 H439	F430-D435 HydrophobicContact CB-CB 4.05Å; F430-D435 HydrophobicContact CD1-CB 3.78Å; F430-D435 HydrophobicContact CG-CB 4.15Å; H432-D435 HydrophobicContact CB-CB 4.4Å; H432-D435 IonicContact CD2-OD2 3.65Å; H432-D435 PolarHBondContact O-N 3.41Å; N433-D435 VanDerWaalsContact C-N 3.26Å; N433-D435 PolarHBondContact O-N 3.01Å; D435-N438 PolarHBondContact O-N 3.06Å; D435-H439 WeakPolarHBondContact O-CB 3.06Å; D435-H439 PolarHBondContact O-N 2.66Å
436	L	87.9	Confident	84.1	Confident	27 Å²	27	66.9 Å²	66.9	14%	0.141	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-47.5	172.6	173	63	0	0	0	111.1	C423 F430 H432 N433 N438 H439 M440	C423-L436 HydrophobicContact CB-CD1 3.75Å; F430-L436 HydrophobicContact CB-CB 4.42Å; F430-L436 HydrophobicContact CD2-CB 3.97Å; F430-L436 HydrophobicContact CD2-CD1 3.92Å; F430-L436 HydrophobicContact CE2-CD1 4.1Å; F430-L436 HydrophobicContact CG-CB 4.36Å; H432-L436 PolarHBondContact O-N 3.13Å; N433-L436 CarbonylContact O-C 3.6Å; N433-L436 WeakPolarHBondContact O-CA 3.22Å; N433-L436 WeakPolarHBondContact O-CB 2.92Å; N433-L436 PolarHBondContact O-N 3.33Å; L436-N438 VanDerWaalsContact C-N 3.32Å; L436-N438 PolarHBondContact O-N 3.42Å; L436-H439 CarbonylContact O-C 3.52Å; L436-H439 WeakPolarHBondContact O-CB 3.13Å; L436-H439 PolarHBondContact O-N 3.03Å; L436-H439 VanDerWaalsContact O-N 3.16Å; L436-M440 HydrophobicContact CD1-CG 4.19Å; L436-M440 WeakPolarHBondContact O-CB 3.4Å; L436-M440 WeakPolarHBondContact O-CG 3.19Å; L436-M440 PolarHBondContact O-N 3.44Å
437	K	85.6	Confident	84.1	Confident	130 Å²	130	70.4 Å²	70.4	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-60.1	-41.6	178.7	-171.7	175.7	-175.6	175.5	0	111.6	N433 Y434 M440 R441	N433-K437 PolarHBondContact O-N 3.42Å; Y434-K437 PolarHBondContact O-N 3.45Å; K437-M440 PolarHBondContact O-N 3.48Å; K437-R441 PolarHBondContact O-N 3.3Å
438	N	83.6	Confident	84	Confident	6 Å²	6	67.7 Å²	67.7	3%	0.032	35%	0.347	C	S	.	.	H	α-helix	trans	-68	-41.6	174.1	-79.5	-23.4	0	0	0	112.6	Y434 D435 L436 M440 R441 R460	Y434-N438 WeakPolarHBondContact CE1-ND2 3.45Å; Y434-N438 WeakPolarHBondContact CE2-ND2 3.24Å; Y434-N438 WeakPolarHBondContact O-CB 3.5Å; Y434-N438 PolarHBondContact O-N 2.86Å; Y434-N438 PolarHBondContact OH-ND2 3.24Å; Y434-N438 VanDerWaalsContact OH-ND2 3.15Å; D435-N438 PolarHBondContact O-N 3.06Å; L436-N438 VanDerWaalsContact C-N 3.32Å; L436-N438 PolarHBondContact O-N 3.42Å; N438-M440 VanDerWaalsContact C-N 3.27Å; N438-M440 PolarHBondContact O-N 2.87Å; N438-R441 VanDerWaalsContact O-CB 3.28Å; N438-R441 WeakPolarHBondContact O-CB 3.46Å; N438-R441 PolarHBondContact O-N 3.48Å; N438-R441 VanDerWaalsContact O-N 3.1Å; N438-R441 PolarHBondContact OD1-NH1 3.08Å; N438-R460 HydrophobicContact CB-CG 4.35Å
439	H	86.6	Confident	84	Confident	31 Å²	31	70 Å²	70	14%	0.144	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-37.8	175.7	173.2	79.7	0	0	0	111.5	C423 C426 F430 D435 L436 R441 I442 H443	C423-H439 PolarHBondContact SG-CD2 3.34Å; C423-H439 PolarHBondContact SG-NE2 3.31Å; C426-H439 VanDerWaalsContact SG-CE1 3.54Å; C426-H439 PolarHBondContact SG-NE2 2.81Å; F430-H439 HydrophobicContact CE1-CB 3.94Å; F430-H439 HydrophobicContact CE2-CB 3.85Å; F430-H439 AromaticContact CE2-CD2 3.65Å; F430-H439 AromaticContact CE2-CG 3.63Å; F430-H439 HydrophobicContact CZ-CB 3.43Å; F430-H439 VanDerWaalsContact CZ-CB 3.43Å; F430-H439 AromaticContact CZ-CD2 3.66Å; F430-H439 AromaticContact CZ-CE1 4Å; F430-H439 AromaticContact CZ-CG 3.19Å; F430-H439 AromaticContact CZ-ND1 3.45Å; F430-H439 WeakPolarHBondContact CZ-ND1 3.35Å; D435-H439 WeakPolarHBondContact O-CB 3.06Å; D435-H439 PolarHBondContact O-N 2.66Å; L436-H439 CarbonylContact O-C 3.52Å; L436-H439 WeakPolarHBondContact O-CB 3.13Å; L436-H439 PolarHBondContact O-N 3.03Å; L436-H439 VanDerWaalsContact O-N 3.16Å; H439-R441 PolarHBondContact O-N 2.88Å; H439-R441 VanDerWaalsContact O-N 3.16Å; H439-I442 WeakPolarHBondContact O-CB 3.26Å; H439-I442 WeakPolarHBondContact O-CG1 3.31Å; H439-I442 PolarHBondContact O-N 3.41Å; H439-H443 AromaticContact CD2-NE2 3.88Å; H439-H443 AromaticContact CE1-NE2 3.82Å; H439-H443 AromaticContact NE2-CD2 3.76Å; H439-H443 AromaticContact NE2-NE2 3.1Å; H439-H443 PolarHBondContact NE2-NE2 2.76Å; H439-H443 VanDerWaalsContact NE2-NE2 3.1Å
440	M	85	Confident	83.9	Confident	47 Å²	47	69 Å²	69	23%	0.232	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-22.4	174.7	-78.6	-49.7	-51.2	0	0	113.7	C423 H425 L436 K437 N438 I442 H443 T444	C423-M440 VanDerWaalsContact SG-SD 3.66Å; H425-M440 WeakPolarHBondContact CD2-CE 3.34Å; L436-M440 HydrophobicContact CD1-CG 4.19Å; L436-M440 WeakPolarHBondContact O-CB 3.4Å; L436-M440 WeakPolarHBondContact O-CG 3.19Å; L436-M440 PolarHBondContact O-N 3.44Å; K437-M440 PolarHBondContact O-N 3.48Å; N438-M440 VanDerWaalsContact C-N 3.27Å; N438-M440 PolarHBondContact O-N 2.87Å; M440-I442 PolarHBondContact O-N 3.28Å; M440-H443 HydrophobicContact CE-CB 4.18Å; M440-H443 PolarHBondContact O-N 3.48Å; M440-T444 PolarHBondContact O-N 3.5Å; M440-T444 PolarHBondContact O-OG1 3.46Å
441	R	85.9	Confident	83.9	Confident	41 Å²	41	67.3 Å²	67.3	16%	0.155	34%	0.34	C	S	.	.	H	α-helix	trans	-68.8	-19.4	171.9	-61.6	-179.8	-175.8	147	7.6	113.4	K437 N438 H439 T444 G445 V446 T459	K437-R441 PolarHBondContact O-N 3.3Å; N438-R441 VanDerWaalsContact O-CB 3.28Å; N438-R441 WeakPolarHBondContact O-CB 3.46Å; N438-R441 PolarHBondContact O-N 3.48Å; N438-R441 VanDerWaalsContact O-N 3.1Å; N438-R441 PolarHBondContact OD1-NH1 3.08Å; H439-R441 PolarHBondContact O-N 2.88Å; H439-R441 VanDerWaalsContact O-N 3.16Å; R441-T444 WeakPolarHBondContact CA-OG1 3.29Å; R441-G445 WeakPolarHBondContact O-CA 3.32Å; R441-G445 PolarHBondContact O-N 3.11Å; R441-V446 PolarHBondContact O-N 3Å; R441-T459 HydrophobicContact CB-CG2 4.32Å; R441-T459 VanDerWaalsContact CD-O 3.26Å; R441-T459 WeakPolarHBondContact CD-O 3.31Å; R441-T459 PolarHBondContact NH1-O 3.37Å
442	I	83.5	Confident	83.7	Confident	114 Å²	114	73.2 Å²	73.2	59%	0.585	37%	0.366	S	S	*	.	H	α-helix	trans	-70.8	-43.7	174.1	-57	173.7	0	0	0	109.8	H439 M440	H439-I442 WeakPolarHBondContact O-CB 3.26Å; H439-I442 WeakPolarHBondContact O-CG1 3.31Å; H439-I442 PolarHBondContact O-N 3.41Å; M440-I442 PolarHBondContact O-N 3.28Å
443	H	80.7	Confident	83.4	Confident	76 Å²	76	76.7 Å²	76.7	35%	0.352	38%	0.381	S	S	.	.	H	α-helix	trans	-70	-36.3	179.3	-65.1	-63.2	0	0	0	112.6	C423 H439 M440	C423-H443 PolarHBondContact SG-NE2 2.79Å; C423-H443 VanDerWaalsContact SG-NE2 3.38Å; H439-H443 AromaticContact CD2-NE2 3.88Å; H439-H443 AromaticContact CE1-NE2 3.82Å; H439-H443 AromaticContact NE2-CD2 3.76Å; H439-H443 AromaticContact NE2-NE2 3.1Å; H439-H443 PolarHBondContact NE2-NE2 2.76Å; H439-H443 VanDerWaalsContact NE2-NE2 3.1Å; M440-H443 HydrophobicContact CE-CB 4.18Å; M440-H443 PolarHBondContact O-N 3.48Å
444	T	80.7	Confident	83.4	Confident	87 Å²	87	74.5 Å²	74.5	53%	0.534	37%	0.372	S	S	.	.	H	α-helix	trans	-86.5	-13.2	-180	54.6	0	0	0	0	113.4	M440 R441 V446	M440-T444 PolarHBondContact O-N 3.5Å; M440-T444 PolarHBondContact O-OG1 3.46Å; R441-T444 WeakPolarHBondContact CA-OG1 3.29Å; T444-V446 PolarHBondContact O-N 2.77Å; T444-V446 VanDerWaalsContact O-N 3.13Å
445	G	79.9	Confident	83.3	Confident	54 Å²	54	77.4 Å²	77.4	56%	0.557	38%	0.383	S	S	*	.			trans	66.5	6.6	-176.3	0	0	0	0	0	114.7	R441 R447	R441-G445 WeakPolarHBondContact O-CA 3.32Å; R441-G445 PolarHBondContact O-N 3.11Å; G445-R447 PolarHBondContact O-N 3.15Å
446	V	82.4	Confident	83.2	Confident	79 Å²	79	81 Å²	81	48%	0.479	40%	0.396	S	S	.	.			trans	-73.1	124	-176.3	-179.8	0	0	0	0	110.1	R441 T444 P448	R441-V446 PolarHBondContact O-N 3Å; T444-V446 PolarHBondContact O-N 2.77Å; T444-V446 VanDerWaalsContact O-N 3.13Å; V446-P448 WeakPolarHBondContact O-CD 3.34Å
447	R	83.8	Confident	83	Confident	135 Å²	135	81.2 Å²	81.2	51%	0.509	40%	0.4	S	S	.	.			trans	-121.1	82	179.2	-64.1	171.9	80.1	146.9	4.5	109.3	G445 Y449 S457 F458 T459	G445-R447 PolarHBondContact O-N 3.15Å; R447-Y449 VanDerWaalsContact C-N 3.26Å; R447-Y449 PolarHBondContact O-N 2.91Å; R447-S457 VanDerWaalsContact CB-CB 3.44Å; R447-S457 PolarHBondContact NE-O 3.39Å; R447-S457 PolarHBondContact NH2-O 3.3Å; R447-F458 CarbonylContact C-O 3.59Å; R447-F458 WeakPolarHBondContact CA-O 3.35Å; R447-T459 HydrophobicContact CG-CG2 3.89Å
448	P	82.6	Confident	82.9	Confident	71 Å²	71	76.6 Å²	76.6	46%	0.461	38%	0.38	S	S	.	.			trans	-73.2	-18.3	-170	27.8	-30.8	0	0	0	113.1	V446	V446-P448 WeakPolarHBondContact O-CD 3.34Å
449	Y	84.6	Confident	82.9	Confident	75 Å²	75	78 Å²	78	29%	0.294	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	108.9	-174.1	-58.6	-72.3	0	0	0	111.2	R447 S457 F458	R447-Y449 VanDerWaalsContact C-N 3.26Å; R447-Y449 PolarHBondContact O-N 2.91Å; Y449-S457 CarbonylContact O-C 3.6Å; Y449-S457 VanDerWaalsContact O-C 3.32Å; Y449-S457 VanDerWaalsContact O-CA 3.26Å; Y449-S457 WeakPolarHBondContact O-CA 3.44Å; Y449-F458 PolarHBondContact N-O 2.9Å; Y449-F458 PolarHBondContact O-N 3.22Å
450	Q	85.1	Confident	82.8	Confident	99 Å²	99	80 Å²	80	46%	0.463	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132	-179.4	-167.2	173.7	28.8	0	0	111.6	E452 Y455 K456	Q450-E452 PolarHBondContact O-N 3.39Å; Q450-Y455 PolarHBondContact NE2-O 3.41Å; Q450-K456 WeakPolarHBondContact CA-O 3.4Å
451	C	84.9	Confident	82.8	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	40%	0.396	C	S	.	.			trans	-70.2	118.5	168.3	179.6	0	0	0	0	107.9	F453 C454 Y455 K456 F458 L464 C473	C451-F453 PolarHBondContact O-N 3.48Å; C451-C454 VanDerWaalsContact CB-SG 3.52Å; C451-C454 PolarHBondContact O-N 3.37Å; C451-Y455 WeakPolarHBondContact O-CA 3.47Å; C451-Y455 PolarHBondContact O-N 3.27Å; C451-K456 PolarHBondContact N-O 3.38Å; C451-F458 HydrophobicContact CB-CE2 4.48Å; C451-L464 VanDerWaalsContact CA-CD1 3.48Å; C451-L464 HydrophobicContact CB-CD1 3.54Å; C451-C473 WeakPolarHBondContact CB-SG 3.23Å; C451-C473 WeakPolarHBondContact SG-CB 3.43Å; C451-C473 CovalentContact SG-SG 2.12Å; C451-C473 PolarHBondContact SG-SG 2.91Å
452	E	80.4	Confident	82.7	Confident	151 Å²	151	80 Å²	80	71%	0.706	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-25.7	178.1	-61.2	-179.7	168.6	0	0	112.6	Q450	Q450-E452 PolarHBondContact O-N 3.39Å
453	F	77.4	Confident	82.9	Confident	145 Å²	145	77.2 Å²	77.2	64%	0.636	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-25.4	-176.4	-56.4	-74.1	0	0	0	114.5	C451 C473	C451-F453 PolarHBondContact O-N 3.48Å; F453-C473 HydrophobicContact CB-CB 4.08Å
454	C	82.9	Confident	83.2	Confident	42 Å²	42	74.6 Å²	74.6	28%	0.284	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	0.5	-177.7	79.3	0	0	0	0	113.6	C451 K456 H467 C473	C451-C454 VanDerWaalsContact CB-SG 3.52Å; C451-C454 PolarHBondContact O-N 3.37Å; C454-K456 PolarHBondContact O-N 2.84Å; C454-K456 VanDerWaalsContact SG-CB 3.57Å; C454-H467 PolarHBondContact SG-NE2 3.05Å; C454-C473 VanDerWaalsContact SG-SG 3.63Å
455	Y	81.7	Confident	83.3	Confident	166 Å²	166	76.2 Å²	76.2	65%	0.651	38%	0.376	S	S	*	.			trans	54.5	13.9	-178.6	-57.8	-76.3	0	0	0	115.3	Q450 C451 S457	Q450-Y455 PolarHBondContact NE2-O 3.41Å; C451-Y455 WeakPolarHBondContact O-CA 3.47Å; C451-Y455 PolarHBondContact O-N 3.27Å; Y455-S457 PolarHBondContact O-N 3.43Å
456	K	81.3	Confident	83.6	Confident	124 Å²	124	79.4 Å²	79.4	54%	0.539	37%	0.372	S	S	.	.			trans	-72.1	123.2	172.6	-70.2	-176.3	177.6	-170.4	0	109.3	Q450 C451 C454 F458	Q450-K456 WeakPolarHBondContact CA-O 3.4Å; C451-K456 PolarHBondContact N-O 3.38Å; C454-K456 PolarHBondContact O-N 2.84Å; C454-K456 VanDerWaalsContact SG-CB 3.57Å; K456-F458 HydrophobicContact CB-CE2 3.82Å; K456-F458 HydrophobicContact CB-CZ 3.91Å; K456-F458 WeakPolarHBondContact O-CD2 3.45Å; K456-F458 WeakPolarHBondContact O-CE2 3.34Å
457	S	84.7	Confident	83.7	Confident	33 Å²	33	76.8 Å²	76.8	23%	0.231	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	152.1	173.6	-44.1	0	0	0	0	110.5	R447 Y449 Y455	R447-S457 VanDerWaalsContact CB-CB 3.44Å; R447-S457 PolarHBondContact NE-O 3.39Å; R447-S457 PolarHBondContact NH2-O 3.3Å; Y449-S457 CarbonylContact O-C 3.6Å; Y449-S457 VanDerWaalsContact O-C 3.32Å; Y449-S457 VanDerWaalsContact O-CA 3.26Å; Y449-S457 WeakPolarHBondContact O-CA 3.44Å; Y455-S457 PolarHBondContact O-N 3.43Å
458	F	83.7	Confident	83.7	Confident	32 Å²	32	73.6 Å²	73.6	14%	0.14	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.4	-179.1	-61.8	-87.5	0	0	0	108.6	R447 Y449 C451 K456 R460 H463 L464 H467	R447-F458 CarbonylContact C-O 3.59Å; R447-F458 WeakPolarHBondContact CA-O 3.35Å; Y449-F458 PolarHBondContact N-O 2.9Å; Y449-F458 PolarHBondContact O-N 3.22Å; C451-F458 HydrophobicContact CB-CE2 4.48Å; K456-F458 HydrophobicContact CB-CE2 3.82Å; K456-F458 HydrophobicContact CB-CZ 3.91Å; K456-F458 WeakPolarHBondContact O-CD2 3.45Å; K456-F458 WeakPolarHBondContact O-CE2 3.34Å; F458-R460 VanDerWaalsContact C-N 3.32Å; F458-H463 HydrophobicContact CB-CB 4.35Å; F458-H463 HydrophobicContact CD1-CB 4.06Å; F458-H463 HydrophobicContact CG-CB 4.44Å; F458-L464 HydrophobicContact CD2-CB 3.99Å; F458-L464 HydrophobicContact CD2-CD1 3.88Å; F458-L464 HydrophobicContact CE2-CD1 3.95Å; F458-L464 HydrophobicContact CG-CB 4.43Å; F458-H467 HydrophobicContact CE1-CB 4.21Å; F458-H467 HydrophobicContact CE2-CB 4.14Å; F458-H467 AromaticContact CE2-CD2 3.45Å; F458-H467 VanDerWaalsContact CE2-CD2 3.45Å; F458-H467 WeakPolarHBondContact CE2-CD2 3.28Å; F458-H467 AromaticContact CE2-CG 3.87Å; F458-H467 HydrophobicContact CZ-CB 3.69Å; F458-H467 AromaticContact CZ-CD2 3.35Å; F458-H467 WeakPolarHBondContact CZ-CD2 3.4Å; F458-H467 AromaticContact CZ-CG 3.36Å; F458-H467 AromaticContact CZ-ND1 3.86Å; F458-H467 AromaticContact CZ-NE2 3.84Å
459	T	83.6	Confident	83.6	Confident	37 Å²	37	78.8 Å²	78.8	23%	0.227	36%	0.362	C	S	.	.	S	Bend	trans	-78.5	-18.8	177.4	50.5	0	0	0	0	112.5	R441 R447	R441-T459 HydrophobicContact CB-CG2 4.32Å; R441-T459 VanDerWaalsContact CD-O 3.26Å; R441-T459 WeakPolarHBondContact CD-O 3.31Å; R441-T459 PolarHBondContact NH1-O 3.37Å; R447-T459 HydrophobicContact CG-CG2 3.89Å
460	R	83.6	Confident	83.3	Confident	71 Å²	71	83.7 Å²	83.7	27%	0.268	38%	0.38	S	S	.	.	S	Bend	trans	-134.1	146.8	-176.1	-62.4	172.4	51.3	140.7	1.5	111.8	N438 F458 D462 H463 L464	N438-R460 HydrophobicContact CB-CG 4.35Å; F458-R460 VanDerWaalsContact C-N 3.32Å; R460-D462 VanDerWaalsContact CB-OD1 3.23Å; R460-D462 WeakPolarHBondContact CB-OD1 3.23Å; R460-D462 IonicContact CZ-OD1 3.33Å; R460-D462 IonicContact CZ-OD2 3.97Å; R460-D462 IonicContact NE-OD1 2.77Å; R460-D462 PolarHBondContact NE-OD1 3.15Å; R460-D462 IonicContact NE-OD2 3.69Å; R460-D462 IonicContact NH2-OD1 3Å; R460-D462 PolarHBondContact NH2-OD1 2.73Å; R460-D462 IonicContact NH2-OD2 3.53Å; R460-H463 HydrophobicContact CB-CB 4.42Å; R460-H463 PolarHBondContact O-N 2.92Å; R460-L464 PolarHBondContact O-N 3.36Å
461	S	84.6	Confident	82.1	Confident	35 Å²	35	83.5 Å²	83.5	25%	0.245	38%	0.379	C	S	.	.	H	α-helix	trans	-69.1	-39.9	179.5	55.4	0	0	0	0	112	H463 L464 H465	S461-H463 PolarHBondContact O-N 3.29Å; S461-L464 WeakPolarHBondContact O-CB 3.23Å; S461-L464 PolarHBondContact O-N 2.93Å; S461-L464 VanDerWaalsContact O-N 3.08Å; S461-H465 PolarHBondContact O-N 3.47Å; S461-H465 PolarHBondContact O-ND1 3.12Å
462	D	85.4	Confident	81	Confident	55 Å²	55	86.9 Å²	86.9	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-61.2	-34.1	177.9	66.2	-79.9	0	0	0	112.2	R460 H465 R466	R460-D462 VanDerWaalsContact CB-OD1 3.23Å; R460-D462 WeakPolarHBondContact CB-OD1 3.23Å; R460-D462 IonicContact CZ-OD1 3.33Å; R460-D462 IonicContact CZ-OD2 3.97Å; R460-D462 IonicContact NE-OD1 2.77Å; R460-D462 PolarHBondContact NE-OD1 3.15Å; R460-D462 IonicContact NE-OD2 3.69Å; R460-D462 IonicContact NH2-OD1 3Å; R460-D462 PolarHBondContact NH2-OD1 2.73Å; R460-D462 IonicContact NH2-OD2 3.53Å; D462-H465 PolarHBondContact O-N 3.48Å; D462-R466 VanDerWaalsContact O-CB 3.25Å; D462-R466 WeakPolarHBondContact O-CB 3.25Å; D462-R466 PolarHBondContact O-N 3.24Å
463	H	86.1	Confident	80.1	Confident	55 Å²	55	80.6 Å²	80.6	26%	0.255	38%	0.375	S	S	.	.	H	α-helix	trans	-68.7	-38.7	175.1	-67.7	-5.2	0	0	0	112.1	F458 R460 S461 R466 H467	F458-H463 HydrophobicContact CB-CB 4.35Å; F458-H463 HydrophobicContact CD1-CB 4.06Å; F458-H463 HydrophobicContact CG-CB 4.44Å; R460-H463 HydrophobicContact CB-CB 4.42Å; R460-H463 PolarHBondContact O-N 2.92Å; S461-H463 PolarHBondContact O-N 3.29Å; H463-R466 PolarHBondContact CE1-NH2 3.15Å; H463-R466 PolarHBondContact ND1-NH2 2.87Å; H463-H467 WeakPolarHBondContact O-CB 2.99Å; H463-H467 PolarHBondContact O-N 2.98Å
464	L	87	Confident	79.2	Confident	21 Å²	21	81.8 Å²	81.8	11%	0.11	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-48.9	172.6	172.8	61.3	0	0	0	110.9	C451 F458 R460 S461 R466 H467 I468	C451-L464 VanDerWaalsContact CA-CD1 3.48Å; C451-L464 HydrophobicContact CB-CD1 3.54Å; F458-L464 HydrophobicContact CD2-CB 3.99Å; F458-L464 HydrophobicContact CD2-CD1 3.88Å; F458-L464 HydrophobicContact CE2-CD1 3.95Å; F458-L464 HydrophobicContact CG-CB 4.43Å; R460-L464 PolarHBondContact O-N 3.36Å; S461-L464 WeakPolarHBondContact O-CB 3.23Å; S461-L464 PolarHBondContact O-N 2.93Å; S461-L464 VanDerWaalsContact O-N 3.08Å; L464-R466 PolarHBondContact O-N 3.34Å; L464-H467 WeakPolarHBondContact O-CA 3.26Å; L464-H467 WeakPolarHBondContact O-CB 3.45Å; L464-H467 PolarHBondContact O-N 3.43Å; L464-I468 HydrophobicContact CD1-CD1 3.73Å; L464-I468 HydrophobicContact CD1-CG1 4.04Å; L464-I468 HydrophobicContact CG-CD1 3.82Å; L464-I468 WeakPolarHBondContact O-CG1 3.48Å; L464-I468 PolarHBondContact O-N 3.13Å
465	H	84.7	Confident	77.6	Confident	120 Å²	120	85.7 Å²	85.7	56%	0.556	39%	0.391	S	S	*	.	H	α-helix	trans	-59.3	-45.1	178	-74.3	112.5	0	0	0	111.9	S461 D462 H467 I468 K469	S461-H465 PolarHBondContact O-N 3.47Å; S461-H465 PolarHBondContact O-ND1 3.12Å; D462-H465 PolarHBondContact O-N 3.48Å; H465-H467 VanDerWaalsContact C-N 3.31Å; H465-H467 PolarHBondContact O-N 3.04Å; H465-I468 PolarHBondContact O-N 2.79Å; H465-K469 VanDerWaalsContact O-CB 3.23Å; H465-K469 WeakPolarHBondContact O-CB 3.39Å; H465-K469 PolarHBondContact O-N 2.83Å
466	R	85.3	Confident	75.9	Confident	122 Å²	122	82.5 Å²	82.5	46%	0.46	40%	0.399	S	S	.	.	H	α-helix	trans	-61.8	-39.4	173.5	-178.7	171.5	61.1	-176.7	-1.8	112	D462 H463 L464 K469 R470	D462-R466 VanDerWaalsContact O-CB 3.25Å; D462-R466 WeakPolarHBondContact O-CB 3.25Å; D462-R466 PolarHBondContact O-N 3.24Å; H463-R466 PolarHBondContact CE1-NH2 3.15Å; H463-R466 PolarHBondContact ND1-NH2 2.87Å; L464-R466 PolarHBondContact O-N 3.34Å; R466-K469 PolarHBondContact O-N 2.98Å; R466-R470 HydrophobicContact CG-CG 4.07Å; R466-R470 VanDerWaalsContact O-CB 3.23Å; R466-R470 WeakPolarHBondContact O-CB 3.28Å; R466-R470 VanDerWaalsContact O-CG 3.26Å; R466-R470 WeakPolarHBondContact O-CG 3.48Å; R466-R470 PolarHBondContact O-N 2.87Å
467	H	84.4	Confident	74	Confident	23 Å²	23	84.1 Å²	84.1	11%	0.106	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-39.7	177.5	175	64.1	0	0	0	112.6	C454 F458 H463 L464 H465 S472 C473	C454-H467 PolarHBondContact SG-NE2 3.05Å; F458-H467 HydrophobicContact CE1-CB 4.21Å; F458-H467 HydrophobicContact CE2-CB 4.14Å; F458-H467 AromaticContact CE2-CD2 3.45Å; F458-H467 VanDerWaalsContact CE2-CD2 3.45Å; F458-H467 WeakPolarHBondContact CE2-CD2 3.28Å; F458-H467 AromaticContact CE2-CG 3.87Å; F458-H467 HydrophobicContact CZ-CB 3.69Å; F458-H467 AromaticContact CZ-CD2 3.35Å; F458-H467 WeakPolarHBondContact CZ-CD2 3.4Å; F458-H467 AromaticContact CZ-CG 3.36Å; F458-H467 AromaticContact CZ-ND1 3.86Å; F458-H467 AromaticContact CZ-NE2 3.84Å; H463-H467 WeakPolarHBondContact O-CB 2.99Å; H463-H467 PolarHBondContact O-N 2.98Å; L464-H467 WeakPolarHBondContact O-CA 3.26Å; L464-H467 WeakPolarHBondContact O-CB 3.45Å; L464-H467 PolarHBondContact O-N 3.43Å; H465-H467 VanDerWaalsContact C-N 3.31Å; H465-H467 PolarHBondContact O-N 3.04Å; H467-S472 WeakPolarHBondContact O-CB 3.29Å; H467-S472 PolarHBondContact O-N 3.42Å; H467-C473 PolarHBondContact CD2-SG 3.36Å; H467-C473 PolarHBondContact NE2-SG 3.19Å
468	I	82.9	Confident	72	Confident	68 Å²	68	87.8 Å²	87.8	35%	0.349	43%	0.425	S	S	.	.	H	α-helix	trans	-68.6	-48.1	174	-64.5	166.5	0	0	0	110.1	L464 H465 R470 Q471	L464-I468 HydrophobicContact CD1-CD1 3.73Å; L464-I468 HydrophobicContact CD1-CG1 4.04Å; L464-I468 HydrophobicContact CG-CD1 3.82Å; L464-I468 WeakPolarHBondContact O-CG1 3.48Å; L464-I468 PolarHBondContact O-N 3.13Å; H465-I468 PolarHBondContact O-N 2.79Å; I468-R470 PolarHBondContact O-N 3.44Å; I468-Q471 PolarHBondContact O-N 2.65Å
469	K	82.1	Confident	70	Confident	180 Å²	180	96.5 Å²	96.5	78%	0.783	46%	0.457	S	S	*	.	H	α-helix	trans	-64.6	-38.5	-177.6	-170	173.7	-176.6	174.7	0	113.1	H465 R466 Q471	H465-K469 VanDerWaalsContact O-CB 3.23Å; H465-K469 WeakPolarHBondContact O-CB 3.39Å; H465-K469 PolarHBondContact O-N 2.83Å; R466-K469 PolarHBondContact O-N 2.98Å; K469-Q471 PolarHBondContact O-N 2.94Å
470	R	76.8	Confident	68.4	Low	178 Å²	178	105.6 Å²	105.6	67%	0.672	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	17.5	-179.4	-74.7	-173.4	175.2	-150	-1.9	114.5	R466 I468 S472	R466-R470 HydrophobicContact CG-CG 4.07Å; R466-R470 VanDerWaalsContact O-CB 3.23Å; R466-R470 WeakPolarHBondContact O-CB 3.28Å; R466-R470 VanDerWaalsContact O-CG 3.26Å; R466-R470 WeakPolarHBondContact O-CG 3.48Å; R466-R470 PolarHBondContact O-N 2.87Å; I468-R470 PolarHBondContact O-N 3.44Å; R470-S472 PolarHBondContact O-N 2.92Å; R470-S472 PolarHBondContact O-OG 3.46Å
471	Q	61.6	Low	66.8	Low	96 Å²	96	106 Å²	106	45%	0.449	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	13.5	-174.5	-45.4	-61.3	13.2	0	0	113.8	I468 K469 C473 R474	I468-Q471 PolarHBondContact O-N 2.65Å; K469-Q471 PolarHBondContact O-N 2.94Å; Q471-C473 VanDerWaalsContact C-N 3.27Å; Q471-C473 PolarHBondContact O-N 3.34Å; Q471-R474 HydrophobicContact CB-CB 4.19Å; Q471-R474 HydrophobicContact CB-CG 4.04Å; Q471-R474 VanDerWaalsContact NE2-CZ 3.3Å; Q471-R474 VanDerWaalsContact O-CB 3.31Å; Q471-R474 WeakPolarHBondContact O-CB 3.33Å; Q471-R474 PolarHBondContact O-N 2.88Å; Q471-R474 VanDerWaalsContact OE1-CG 3.26Å; Q471-R474 VanDerWaalsContact OE1-CZ 3.3Å
472	S	61	Low	65.1	Low	71 Å²	71	113.7 Å²	113.7	50%	0.497	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-22	-177.9	-57.5	0	0	0	0	111.1	H467 R470	H467-S472 WeakPolarHBondContact O-CB 3.29Å; H467-S472 PolarHBondContact O-N 3.42Å; R470-S472 PolarHBondContact O-N 2.92Å; R470-S472 PolarHBondContact O-OG 3.46Å
473	C	61.4	Low	63	Low	19 Å²	19	117.8 Å²	117.8	13%	0.128	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-83.2	-0.9	163.4	-69.7	0	0	0	0	113.3	C451 F453 C454 H467 Q471 M475	C451-C473 WeakPolarHBondContact CB-SG 3.23Å; C451-C473 WeakPolarHBondContact SG-CB 3.43Å; C451-C473 CovalentContact SG-SG 2.12Å; C451-C473 PolarHBondContact SG-SG 2.91Å; F453-C473 HydrophobicContact CB-CB 4.08Å; C454-C473 VanDerWaalsContact SG-SG 3.63Å; H467-C473 PolarHBondContact CD2-SG 3.36Å; H467-C473 PolarHBondContact NE2-SG 3.19Å; Q471-C473 VanDerWaalsContact C-N 3.27Å; Q471-C473 PolarHBondContact O-N 3.34Å; C473-M475 PolarHBondContact O-N 3.32Å
474	R	58.6	Low	61.2	Low	170 Å²	170	119.4 Å²	119.4	64%	0.642	57%	0.567	S	S	*	*	S	Bend	trans	-73.3	-21.2	-174.1	-88.3	-161.1	-177.3	-169.9	9.5	116	Q471	Q471-R474 HydrophobicContact CB-CB 4.19Å; Q471-R474 HydrophobicContact CB-CG 4.04Å; Q471-R474 VanDerWaalsContact NE2-CZ 3.3Å; Q471-R474 VanDerWaalsContact O-CB 3.31Å; Q471-R474 WeakPolarHBondContact O-CB 3.33Å; Q471-R474 PolarHBondContact O-N 2.88Å; Q471-R474 VanDerWaalsContact OE1-CG 3.26Å; Q471-R474 VanDerWaalsContact OE1-CZ 3.3Å
475	M	49.4	Very low	59.6	Low	123 Å²	123	122 Å²	122	61%	0.606	59%	0.591	S	S	*	*			trans	-157.4	101.6	-178.8	-71	-67.8	156.6	0	0	110.3	C473 R477	C473-M475 PolarHBondContact O-N 3.32Å; M475-R477 HydrophobicContact CB-CB 3.71Å; M475-R477 HydrophobicContact CB-CG 3.66Å; M475-R477 HydrophobicContact CG-CB 4.32Å; M475-R477 HydrophobicContact CG-CG 3.68Å; M475-R477 PolarHBondContact O-N 3.5Å; M475-R477 HydrophobicContact SD-CG 3.71Å
476	A	46.3	Very low	57.9	Low	100 Å²	100	120.1 Å²	120.1	83%	0.826	60%	0.597	S	S	*	*				-59.1	69.3	129.6	0	0	0	0	0	107.8	P478	A476-P478 WeakPolarHBondContact O-CD 3.45Å
477	R	41.6	Very low	56	Low	157 Å²	157	122.4 Å²	122.4	59%	0.592	61%	0.606	S	S	*	*			trans	-72.7	122.8	172.2	-114.2	168.5	-171.2	-145.4	4.7	104.8	M475 R479	M475-R477 HydrophobicContact CB-CB 3.71Å; M475-R477 HydrophobicContact CB-CG 3.66Å; M475-R477 HydrophobicContact CG-CB 4.32Å; M475-R477 HydrophobicContact CG-CG 3.68Å; M475-R477 PolarHBondContact O-N 3.5Å; M475-R477 HydrophobicContact SD-CG 3.71Å; R477-R479 PolarHBondContact O-N 3.22Å; R477-R479 VanDerWaalsContact O-N 3.13Å
478	P	42.3	Very low	54.2	Low	110 Å²	110	128.7 Å²	128.7	71%	0.714	63%	0.628	S	S	*	*			trans	-56.7	126.8	161.5	23.5	-27.6	0	0	0	106.1	A476 R480	A476-P478 WeakPolarHBondContact O-CD 3.45Å; P478-R480 PolarHBondContact O-N 3.16Å
479	R	41.1	Very low	52.7	Low	216 Å²	216	128.9 Å²	128.9	82%	0.815	64%	0.64	S	S	*	*			trans	-44	113.5	169.8	-83.5	179.1	155.2	172.1	-6.9	107.3	R477 G481 R482	R477-R479 PolarHBondContact O-N 3.22Å; R477-R479 VanDerWaalsContact O-N 3.13Å; R479-G481 VanDerWaalsContact C-N 3.3Å; R479-G481 PolarHBondContact O-N 3.1Å; R479-R482 PolarHBondContact O-N 3.43Å
480	R	50.5	Low	51	Low	228 Å²	228	123.3 Å²	123.3	86%	0.86	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	103.1	165.8	-72.9	-174.1	-166.4	-131.1	1.2	105.3	P478	P478-R480 PolarHBondContact O-N 3.16Å
481	G	49.6	Very low	49.6	Very low	78 Å²	78	119 Å²	119	80%	0.804	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	140.9	-12.7	179.5	0	0	0	0	0	117.9	R479	R479-G481 VanDerWaalsContact C-N 3.3Å; R479-G481 PolarHBondContact O-N 3.1Å
482	R	49	Very low	49	Very low	198 Å²	198	121.7 Å²	121.7	75%	0.747	64%	0.641	S	S	*	*			trans	-130.6	105.8	168.7	-79.5	-173.3	-151.6	-110.7	-3.4	111.5	R479	R479-R482 PolarHBondContact O-N 3.43Å
483	K	40.7	Very low	48.4	Very low	140 Å²	140	125 Å²	125	61%	0.609	65%	0.652	S	S	*	*			trans	-59.1	139.4	167.7	-62.4	-178.3	-179.7	-179.2	0	109.3	W487	K483-W487 HydrophobicContact CB-CB 4.36Å
484	P	49.6	Very low	47.6	Very low	89 Å²	89	133 Å²	133	58%	0.578	69%	0.686	S	S	*	*			trans	-55.9	148.8	171.6	-22.4	32.2	0	0	0	111.5	A486 W487	P484-A486 PolarHBondContact O-N 2.81Å; P484-W487 PolarHBondContact O-N 3.16Å
485	A	52.1	Low	46.4	Very low	76 Å²	76	128.2 Å²	128.2	63%	0.628	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-54.5	-28.7	-177.5	0	0	0	0	0	113.5	W487 R488	A485-W487 PolarHBondContact O-N 2.83Å; A485-R488 PolarHBondContact O-N 2.91Å; A485-R488 VanDerWaalsContact O-N 3.12Å
486	A	49.1	Very low	46.2	Very low	81 Å²	81	129 Å²	129	67%	0.669	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-60.7	-26.7	176.4	0	0	0	0	0	114.3	P484	P484-A486 PolarHBondContact O-N 2.81Å
487	W	45.1	Very low	45.5	Very low	170 Å²	170	128 Å²	128	64%	0.644	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-86.1	-11.6	178.2	-81.4	57.9	0	0	0	113.7	K483 P484 A485 A489	K483-W487 HydrophobicContact CB-CB 4.36Å; P484-W487 PolarHBondContact O-N 3.16Å; A485-W487 PolarHBondContact O-N 2.83Å; W487-A489 VanDerWaalsContact C-N 3.33Å
488	R	48.2	Very low	44.9	Very low	155 Å²	155	124.1 Å²	124.1	59%	0.585	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-26.4	174.7	-69.2	-168.9	175.4	110.6	0	112.2	A485 A490 S491	A485-R488 PolarHBondContact O-N 2.91Å; A485-R488 VanDerWaalsContact O-N 3.12Å; R488-A490 VanDerWaalsContact C-N 3.34Å; R488-S491 PolarHBondContact O-N 3.31Å
489	A	49.6	Very low	44.6	Very low	71 Å²	71	125 Å²	125	59%	0.587	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-71.6	-27.1	177.2	0	0	0	0	0	113.1	W487 S491	W487-A489 VanDerWaalsContact C-N 3.33Å; A489-S491 VanDerWaalsContact C-N 3.32Å; A489-S491 PolarHBondContact O-N 3.36Å
490	A	48.4	Very low	44.3	Very low	63 Å²	63	119.2 Å²	119.2	52%	0.521	72%	0.716	S	S	.	*	G	3₁₀ helix	trans	-79.7	-11.5	179.1	0	0	0	0	0	113.9	R488 L492	R488-A490 VanDerWaalsContact C-N 3.34Å; A490-L492 VanDerWaalsContact C-N 3.33Å
491	S	46.2	Very low	43.6	Very low	88 Å²	88	114.3 Å²	114.3	62%	0.615	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-87.6	0.8	177.8	-57.7	0	0	0	0	113.6	R488 A489	R488-S491 PolarHBondContact O-N 3.31Å; A489-S491 VanDerWaalsContact C-N 3.32Å; A489-S491 PolarHBondContact O-N 3.36Å
492	L	49.8	Very low	42.7	Very low	153 Å²	153	117.3 Å²	117.3	80%	0.801	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-92.6	-1.7	175.6	-69.7	172.7	0	0	0	113.5	A490	A490-L492 VanDerWaalsContact C-N 3.33Å
493	L	48.3	Very low	41.9	Very low	139 Å²	139	117.1 Å²	117.1	73%	0.728	72%	0.715	S	S	*	*	S	Bend	trans	-94.5	-1.3	-179.6	-69.8	174.1	0	0	0	114.5
494	F	44.5	Very low	41.4	Very low	189 Å²	189	115 Å²	115	83%	0.829	72%	0.724	S	S	*	*	S	Bend	trans	-136.2	94.3	173.8	-63.9	-77.8	0	0	0	110
495	G	34	Very low	40.5	Very low	69 Å²	69	115.5 Å²	115.5	71%	0.711	74%	0.736	S	S	*	*			trans	-69.3	156	171.5	0	0	0	0	0	112.5
496	P	43.2	Very low	39.2	Very low	140 Å²	140	120.2 Å²	120.2	91%	0.909	74%	0.742	S	S	*	*			trans	-84.3	137.5	-173.3	34	-31.7	0	0	0	111.5
497	G	32.3	Very low	38.3	Very low	78 Å²	78	123 Å²	123	80%	0.804	75%	0.75	S	S	*	*			trans	-159.1	45	-178.6	0	0	0	0	0	116.1
498	G	28.9	Very low	37.5	Very low	76 Å²	76	121 Å²	121	78%	0.784	75%	0.75	S	S	*	*			trans	56.1	176.6	156.6	0	0	0	0	0	120.6
499	P	35.9	Very low	36.8	Very low	128 Å²	128	119 Å²	119	83%	0.831	76%	0.757	S	S	*	*			cis	-114.3	166.3	-17.6	36.9	-21.9	0	0	0	113.2
500	A	35.4	Very low	36.2	Very low	95 Å²	95	121.9 Å²	121.9	79%	0.785	77%	0.769	S	S	*	*			trans	-69.2	157.4	177.1	0	0	0	0	0	113.5
501	P	35.8	Very low	35.4	Very low	124 Å²	124	123.1 Å²	123.1	81%	0.805	78%	0.78	S	S	*	*			trans	-124.6	157.7	139.3	35.6	-25.1	0	0	0	113.1
502	D	30.5	Very low	34.6	Very low	141 Å²	141	127.7 Å²	127.7	75%	0.754	80%	0.796	S	S	*	*			trans	-70.7	148.2	-158.7	-68.3	-69.5	0	0	0	118.1
503	K	32.8	Very low	33.5	Very low	195 Å²	195	124 Å²	124	85%	0.848	80%	0.795	S	S	*	*			trans	32.7	121.2	135	-56.9	177.1	-176.4	175.2	0	119.9
504	A	30	Very low	32.7	Very low	96 Å²	96	126.3 Å²	126.3	79%	0.793	80%	0.802	S	S	*	*				177.5	105.8	115.5	0	0	0	0	0	108.2
505	A	29.6	Very low	32.1	Very low	99 Å²	99	124.4 Å²	124.4	82%	0.818	81%	0.806	S	S	*	*				74.6	98.9	93.4	0	0	0	0	0	113.5
506	F	25.5	Very low	31.8	Very low	175 Å²	175	124.9 Å²	124.9	77%	0.768	81%	0.811	S	S	*	*			trans	-55	132	167	-174	-97.4	0	0	0	112.4	M508	F506-M508 HydrophobicContact CD1-CG 4.25Å; F506-M508 HydrophobicContact CE1-CG 3.39Å; F506-M508 HydrophobicContact CE1-SD 4.03Å; F506-M508 HydrophobicContact CZ-CE 4.08Å; F506-M508 HydrophobicContact CZ-CG 3.78Å; F506-M508 HydrophobicContact CZ-SD 3.94Å
507	V	29.7	Very low	31	Very low	138 Å²	138	121.7 Å²	121.7	84%	0.836	80%	0.804	S	S	*	*			trans	-138	125.4	160.1	178.7	0	0	0	0	108.7
508	M	29.1	Very low	30.9	Very low	130 Å²	130	126.3 Å²	126.3	64%	0.64	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-76.2	153.4	174.2	-61.5	-125.1	75.7	0	0	111.3	F506	F506-M508 HydrophobicContact CD1-CG 4.25Å; F506-M508 HydrophobicContact CE1-CG 3.39Å; F506-M508 HydrophobicContact CE1-SD 4.03Å; F506-M508 HydrophobicContact CZ-CE 4.08Å; F506-M508 HydrophobicContact CZ-CG 3.78Å; F506-M508 HydrophobicContact CZ-SD 3.94Å
509	P	33.8	Very low	30.9	Very low	112 Å²	112	130 Å²	130	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80.8	140.4	171.8	31.8	-29.8	0	0	0	110.9
510	P	37.5	Very low	30.4	Very low	131 Å²	131	127.8 Å²	127.8	85%	0.851	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-86.2	150.6	173.4	34.2	-30.7	0	0	0	111.6
511	A	31.1	Very low	30	Very low	90 Å²	90	127.1 Å²	127.1	74%	0.744	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-92.3	145.4	164.5	0	0	0	0	0	110.5
512	L	29.5	Very low	29.6	Very low	183 Å²	183	126.1 Å²	126.1	96%	0.958	81%	0.81	S	S	*	*			trans	147	139.2	136.2	-83.9	168.8	0	0	0	112.3
513	G	27.1	Very low	29.5	Very low	75 Å²	75	123.8 Å²	123.8	77%	0.773	81%	0.81	S	S	*	*			trans	135	99.7	149	0	0	0	0	0	116.1
514	E	30.2	Very low	29.2	Very low	188 Å²	188	120.7 Å²	120.7	88%	0.879	81%	0.807	S	S	*	*			trans	-60.8	143.3	157.1	-63.7	175.4	122.4	0	0	111.1
515	V	31.8	Very low	28.9	Very low	149 Å²	149	120.9 Å²	120.9	90%	0.903	80%	0.802	S	S	*	*				174.4	131.5	121.1	-84.1	0	0	0	0	112
516	G	28.1	Very low	28.8	Very low	80 Å²	80	123.6 Å²	123.6	83%	0.825	80%	0.802	S	S	*	*			trans	78.8	104.2	131.8	0	0	0	0	0	121.9
517	G	27.2	Very low	29.5	Very low	73 Å²	73	120.8 Å²	120.8	75%	0.753	80%	0.801	S	S	*	*				85.7	121	110.4	0	0	0	0	0	121.9
518	H	29.1	Very low	29.3	Very low	175 Å²	175	117.7 Å²	117.7	81%	0.81	80%	0.797	S	S	*	*			trans	84.6	115.5	143.1	-86.4	-95.7	0	0	0	122.6
519	L	29	Very low	29.6	Very low	153 Å²	153	117.4 Å²	117.4	80%	0.801	81%	0.805	S	S	*	*			trans	65.5	113.7	132.2	-63.7	172.3	0	0	0	121.3
520	G	25.8	Very low	29.5	Very low	82 Å²	82	117.5 Å²	117.5	85%	0.845	81%	0.809	S	S	*	*				94.3	134	107.1	0	0	0	0	0	116.9
521	G	26.8	Very low	29.5	Very low	80 Å²	80	117.7 Å²	117.7	83%	0.825	81%	0.809	S	S	*	*			trans	132.7	109.2	155.9	0	0	0	0	0	114.3
522	A	27.6	Very low	29.3	Very low	103 Å²	103	117.4 Å²	117.4	85%	0.851	81%	0.807	S	S	*	*			trans	-69.3	178.9	-179.5	0	0	0	0	0	115.1
523	A	27.3	Very low	29.4	Very low	93 Å²	93	117.5 Å²	117.5	77%	0.769	80%	0.8	S	S	*	*			trans	105.9	137.6	152.5	0	0	0	0	0	114.6
524	V	27.5	Very low	29.6	Very low	129 Å²	129	122.8 Å²	122.8	78%	0.782	80%	0.804	S	S	*	*			cis	169.2	138.5	-6.9	134.2	0	0	0	0	104.3
525	C	23.9	Very low	29.4	Very low	101 Å²	101	123.2 Å²	123.2	68%	0.682	80%	0.803	S	S	*	*			trans	57	115.1	153.7	-65.2	0	0	0	0	120.8
526	L	27.7	Very low	29.4	Very low	156 Å²	156	124.7 Å²	124.7	82%	0.817	81%	0.806	S	S	*	*				71.3	162.1	87	-69.2	175	0	0	0	114.5
527	P	39.9	Very low	29.4	Very low	115 Å²	115	125.5 Å²	125.5	75%	0.747	80%	0.804	S	S	*	*			cis	-140.1	161.3	-47.6	38.1	-20.9	0	0	0	115.1
528	G	24.6	Very low	29.6	Very low	74 Å²	74	126 Å²	126	76%	0.763	80%	0.802	S	S	*	*			trans	70.7	179.3	149.9	0	0	0	0	0	119.6
529	P	36.4	Very low	30.2	Very low	124 Å²	124	124.2 Å²	124.2	81%	0.805	81%	0.805	S	S	*	*			cis	-128.3	166.1	-20.3	37.4	-20.9	0	0	0	113.5
530	S	32.3	Very low	30.5	Very low	114 Å²	114	126.7 Å²	126.7	80%	0.797	81%	0.81	S	S	*	*			trans	-66.2	163.3	160.8	-60.8	0	0	0	0	111.9
531	P	36.1	Very low	30.9	Very low	134 Å²	134	126.8 Å²	126.8	87%	0.87	81%	0.81	S	S	*	*				-135.4	157.7	118.6	35.5	-23.5	0	0	0	114.1
532	A	27.5	Very low	31.4	Very low	85 Å²	85	127.7 Å²	127.7	70%	0.702	81%	0.81	S	S	*	*			trans	-92.9	178.4	-168.2	0	0	0	0	0	114.8
533	K	32.7	Very low	32.2	Very low	184 Å²	184	128.5 Å²	128.5	80%	0.8	80%	0.799	S	S	*	*			trans	101.2	121.2	160.7	-55	170.8	-175.3	-179.1	0	112.6
534	H	29.3	Very low	33.6	Very low	186 Å²	186	127.8 Å²	127.8	86%	0.861	79%	0.789	S	S	*	*				-147.9	148.9	54.3	-87.3	-98.5	0	0	0	115.3
535	F	26.1	Very low	34.7	Very low	197 Å²	197	127.7 Å²	127.7	86%	0.864	78%	0.783	S	S	*	*			trans	-53.1	141.5	168.4	-97	-118.2	0	0	0	115.2
536	L	32.3	Very low	36.2	Very low	181 Å²	181	130.2 Å²	130.2	95%	0.948	79%	0.785	S	S	*	*				-148	147.4	127.4	-89.4	-179.4	0	0	0	109.8
537	A	29	Very low	37.4	Very low	96 Å²	96	125.3 Å²	125.3	79%	0.793	76%	0.758	S	S	*	*			trans	-84.9	163.3	-155	0	0	0	0	0	116.6
538	A	31.8	Very low	38	Very low	85 Å²	85	125.1 Å²	125.1	70%	0.702	75%	0.75	S	S	*	*			trans	-75	-178	-171.2	0	0	0	0	0	116
539	P	41.7	Very low	39.6	Very low	136 Å²	136	126.8 Å²	126.8	88%	0.883	74%	0.738	S	S	*	*				-137.1	168.1	82.8	34.9	-18	0	0	0	116.1
540	K	35.2	Very low	40.9	Very low	206 Å²	206	127.3 Å²	127.3	90%	0.896	72%	0.724	S	S	*	*			trans	-83.5	152.8	-162.1	-60.5	168.7	176	178.2	0	113.3
541	G	32.9	Very low	42.1	Very low	83 Å²	83	125.8 Å²	125.8	86%	0.856	70%	0.704	S	S	*	*			trans	170.8	39.9	164.1	0	0	0	0	0	115.3
542	A	37	Very low	43.1	Very low	99 Å²	99	125.6 Å²	125.6	82%	0.818	69%	0.69	S	S	*	*			trans	-123.3	111.4	169.9	0	0	0	0	0	108.2
543	L	44.3	Very low	44.5	Very low	121 Å²	121	127.7 Å²	127.7	63%	0.634	69%	0.685	S	S	*	*			trans	-68.1	131.3	173.2	-66.8	167.7	0	0	0	108.3	E547	L543-E547 HydrophobicContact CD2-CG 4.23Å
544	S	58.3	Low	45.6	Very low	77 Å²	77	123 Å²	123	54%	0.538	67%	0.666	S	S	.	*			trans	-67.6	148.2	177.2	48.9	0	0	0	0	110.8	Q546 E547 L548	S544-Q546 PolarHBondContact O-N 3.24Å; S544-Q546 VanDerWaalsContact O-N 3.07Å; S544-E547 WeakPolarHBondContact O-CA 3.42Å; S544-E547 WeakPolarHBondContact O-CB 3.23Å; S544-E547 PolarHBondContact O-N 2.76Å; S544-L548 PolarHBondContact O-N 3.34Å
545	L	49.9	Very low	47	Very low	128 Å²	128	117.4 Å²	117.4	67%	0.67	65%	0.645	S	S	*	*	H	α-helix	trans	-50.9	-35.8	-179.6	-148.6	160.7	0	0	0	112.5	E547 L548 E549	L545-E547 VanDerWaalsContact C-N 3.31Å; L545-E547 PolarHBondContact O-N 2.79Å; L545-L548 WeakPolarHBondContact O-CB 3.42Å; L545-L548 PolarHBondContact O-N 3.09Å; L545-L548 VanDerWaalsContact O-N 3.14Å; L545-E549 HydrophobicContact CD2-CG 4.11Å; L545-E549 WeakPolarHBondContact CD2-OE1 3.45Å; L545-E549 PolarHBondContact O-N 3.04Å
546	Q	54.2	Low	48.2	Very low	154 Å²	154	111.4 Å²	111.4	72%	0.72	62%	0.62	S	S	*	*	H	α-helix	trans	-65.9	-28	176.6	-158.2	171.6	17.1	0	0	114.1	S544 R550	S544-Q546 PolarHBondContact O-N 3.24Å; S544-Q546 VanDerWaalsContact O-N 3.07Å; Q546-R550 WeakPolarHBondContact O-CB 3.26Å; Q546-R550 PolarHBondContact O-N 3.39Å; Q546-R550 VanDerWaalsContact O-N 3.13Å
547	E	54.3	Low	49	Very low	53 Å²	53	109.6 Å²	109.6	25%	0.248	61%	0.608	C	S	.	*	H	α-helix	trans	-79.5	-29.5	175.1	-171.6	62.3	-167.4	0	0	110.9	L543 S544 L545 R550 Q551	L543-E547 HydrophobicContact CD2-CG 4.23Å; S544-E547 WeakPolarHBondContact O-CA 3.42Å; S544-E547 WeakPolarHBondContact O-CB 3.23Å; S544-E547 PolarHBondContact O-N 2.76Å; L545-E547 VanDerWaalsContact C-N 3.31Å; L545-E547 PolarHBondContact O-N 2.79Å; E547-R550 IonicContact OE1-CZ 3.15Å; E547-R550 IonicContact OE1-NE 2.87Å; E547-R550 IonicContact OE1-NH2 3Å; E547-R550 PolarHBondContact OE1-NH2 3.42Å; E547-R550 IonicContact OE2-CZ 2.88Å; E547-R550 IonicContact OE2-NE 3.69Å; E547-R550 PolarHBondContact OE2-NE 3.46Å; E547-R550 IonicContact OE2-NH2 3.8Å; E547-R550 PolarHBondContact OE2-NH2 3.38Å; E547-Q551 WeakPolarHBondContact O-CB 3.38Å; E547-Q551 VanDerWaalsContact O-CG 3.29Å; E547-Q551 WeakPolarHBondContact O-CG 3.33Å; E547-Q551 PolarHBondContact O-N 3.49Å
548	L	51.8	Low	50.2	Low	110 Å²	110	111.1 Å²	111.1	58%	0.576	60%	0.597	S	S	*	*	H	α-helix	trans	-72.6	-39.3	174.3	-146.2	91.5	0	0	0	111.5	S544 L545 Q551 F552	S544-L548 PolarHBondContact O-N 3.34Å; L545-L548 WeakPolarHBondContact O-CB 3.42Å; L545-L548 PolarHBondContact O-N 3.09Å; L545-L548 VanDerWaalsContact O-N 3.14Å; L548-Q551 PolarHBondContact O-N 2.8Å; L548-F552 WeakPolarHBondContact O-CB 3.35Å; L548-F552 PolarHBondContact O-N 3.49Å
549	E	58.8	Low	51.1	Low	109 Å²	109	112 Å²	112	51%	0.509	59%	0.589	S	S	.	*	H	α-helix	trans	-64.8	-42.8	173.3	-77	170.9	164.3	0	0	111.1	L545 Q551 F552 E553	L545-E549 HydrophobicContact CD2-CG 4.11Å; L545-E549 WeakPolarHBondContact CD2-OE1 3.45Å; L545-E549 PolarHBondContact O-N 3.04Å; E549-Q551 PolarHBondContact O-N 3.43Å; E549-F552 WeakPolarHBondContact O-CB 3.15Å; E549-F552 PolarHBondContact O-N 3.38Å; E549-F552 VanDerWaalsContact O-N 3.17Å; E549-E553 WeakPolarHBondContact O-CG 3.47Å; E549-E553 PolarHBondContact O-N 2.8Å
550	R	62.3	Low	51.3	Low	135 Å²	135	112.1 Å²	112.1	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-61.6	-41.7	174.3	-167.3	175.4	78.7	101.3	3.8	112.4	Q546 E547 F552 E553 E554	Q546-R550 WeakPolarHBondContact O-CB 3.26Å; Q546-R550 PolarHBondContact O-N 3.39Å; Q546-R550 VanDerWaalsContact O-N 3.13Å; E547-R550 IonicContact OE1-CZ 3.15Å; E547-R550 IonicContact OE1-NE 2.87Å; E547-R550 IonicContact OE1-NH2 3Å; E547-R550 PolarHBondContact OE1-NH2 3.42Å; E547-R550 IonicContact OE2-CZ 2.88Å; E547-R550 IonicContact OE2-NE 3.69Å; E547-R550 PolarHBondContact OE2-NE 3.46Å; E547-R550 IonicContact OE2-NH2 3.8Å; E547-R550 PolarHBondContact OE2-NH2 3.38Å; R550-F552 VanDerWaalsContact C-N 3.35Å; R550-E553 PolarHBondContact O-N 3.07Å; R550-E554 VanDerWaalsContact O-CB 3.28Å; R550-E554 WeakPolarHBondContact O-CB 3.18Å; R550-E554 PolarHBondContact O-N 3.36Å
551	Q	58.8	Low	51.7	Low	82 Å²	82	103.7 Å²	103.7	38%	0.383	55%	0.548	S	S	.	.	H	α-helix	trans	-69.1	-32.5	175.3	-76.2	-179	-4.5	0	0	112.6	E547 L548 E549 T555	E547-Q551 WeakPolarHBondContact O-CB 3.38Å; E547-Q551 VanDerWaalsContact O-CG 3.29Å; E547-Q551 WeakPolarHBondContact O-CG 3.33Å; E547-Q551 PolarHBondContact O-N 3.49Å; L548-Q551 PolarHBondContact O-N 2.8Å; E549-Q551 PolarHBondContact O-N 3.43Å; Q551-T555 WeakPolarHBondContact O-CB 3.38Å; Q551-T555 VanDerWaalsContact O-CG2 3.28Å; Q551-T555 WeakPolarHBondContact O-CG2 3.13Å; Q551-T555 PolarHBondContact O-N 2.8Å; Q551-T555 PolarHBondContact O-OG1 3.1Å
552	F	56.7	Low	52.4	Low	131 Å²	131	108.2 Å²	108.2	58%	0.575	54%	0.539	S	S	*	.	H	α-helix	trans	-68.1	-45.2	173.7	-173.8	-101	0	0	0	111.3	L548 E549 R550 E554 T555 Q556	L548-F552 WeakPolarHBondContact O-CB 3.35Å; L548-F552 PolarHBondContact O-N 3.49Å; E549-F552 WeakPolarHBondContact O-CB 3.15Å; E549-F552 PolarHBondContact O-N 3.38Å; E549-F552 VanDerWaalsContact O-N 3.17Å; R550-F552 VanDerWaalsContact C-N 3.35Å; F552-E554 PolarHBondContact O-N 2.9Å; F552-T555 WeakPolarHBondContact CA-OG1 3.25Å; F552-T555 PolarHBondContact O-N 3.1Å; F552-T555 PolarHBondContact O-OG1 3.23Å; F552-Q556 HydrophobicContact CD1-CG 4.11Å; F552-Q556 HydrophobicContact CE1-CG 3.8Å; F552-Q556 HydrophobicContact CZ-CG 4.02Å; F552-Q556 WeakPolarHBondContact O-CB 3.32Å; F552-Q556 VanDerWaalsContact O-CG 3.24Å; F552-Q556 WeakPolarHBondContact O-CG 3.41Å; F552-Q556 PolarHBondContact O-N 3.39Å
553	E	57.6	Low	52.9	Low	128 Å²	128	106.1 Å²	106.1	60%	0.598	52%	0.521	S	S	*	.	H	α-helix	trans	-63.8	-41	174.8	-71.6	176.5	171.9	0	0	111.7	E549 R550 T555 Q556 M557	E549-E553 WeakPolarHBondContact O-CG 3.47Å; E549-E553 PolarHBondContact O-N 2.8Å; R550-E553 PolarHBondContact O-N 3.07Å; E553-T555 VanDerWaalsContact C-N 3.32Å; E553-T555 PolarHBondContact O-N 3.38Å; E553-Q556 PolarHBondContact O-N 2.81Å; E553-M557 WeakPolarHBondContact O-CB 3.39Å; E553-M557 WeakPolarHBondContact O-CG 3.44Å; E553-M557 PolarHBondContact O-N 2.98Å
554	E	55.7	Low	52.9	Low	85 Å²	85	106 Å²	106	40%	0.397	52%	0.518	S	S	.	.	H	α-helix	trans	-67.3	-32.2	177.9	-158.4	-172.5	153.4	0	0	112.4	R550 F552 K558	R550-E554 VanDerWaalsContact O-CB 3.28Å; R550-E554 WeakPolarHBondContact O-CB 3.18Å; R550-E554 PolarHBondContact O-N 3.36Å; F552-E554 PolarHBondContact O-N 2.9Å; E554-K558 WeakPolarHBondContact O-CB 3.32Å; E554-K558 VanDerWaalsContact O-CG 3.25Å; E554-K558 WeakPolarHBondContact O-CG 3.43Å; E554-K558 PolarHBondContact O-N 3.39Å; E554-K558 VanDerWaalsContact O-N 3.13Å; E554-K558 IonicContact OE1-NZ 3.83Å; E554-K558 PolarHBondContact OE1-NZ 3.3Å
555	T	57.3	Low	52.3	Low	69 Å²	69	107.7 Å²	107.7	42%	0.423	52%	0.52	S	S	.	.	H	α-helix	trans	-78.4	-35.6	174.8	49	0	0	0	0	112.5	Q551 F552 E553 K558 L559	Q551-T555 WeakPolarHBondContact O-CB 3.38Å; Q551-T555 VanDerWaalsContact O-CG2 3.28Å; Q551-T555 WeakPolarHBondContact O-CG2 3.13Å; Q551-T555 PolarHBondContact O-N 2.8Å; Q551-T555 PolarHBondContact O-OG1 3.1Å; F552-T555 WeakPolarHBondContact CA-OG1 3.25Å; F552-T555 PolarHBondContact O-N 3.1Å; F552-T555 PolarHBondContact O-OG1 3.23Å; E553-T555 VanDerWaalsContact C-N 3.32Å; E553-T555 PolarHBondContact O-N 3.38Å; T555-K558 PolarHBondContact O-N 3.39Å; T555-L559 WeakPolarHBondContact O-CB 3.46Å; T555-L559 WeakPolarHBondContact O-CG 3.18Å; T555-L559 PolarHBondContact O-N 2.98Å
556	Q	51.5	Low	52.3	Low	72 Å²	72	107.1 Å²	107.1	34%	0.336	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-45.4	170.5	-72.5	-66.2	-46.9	0	0	110.9	F552 E553 K558 L559 F560	F552-Q556 HydrophobicContact CD1-CG 4.11Å; F552-Q556 HydrophobicContact CE1-CG 3.8Å; F552-Q556 HydrophobicContact CZ-CG 4.02Å; F552-Q556 WeakPolarHBondContact O-CB 3.32Å; F552-Q556 VanDerWaalsContact O-CG 3.24Å; F552-Q556 WeakPolarHBondContact O-CG 3.41Å; F552-Q556 PolarHBondContact O-N 3.39Å; E553-Q556 PolarHBondContact O-N 2.81Å; Q556-K558 VanDerWaalsContact C-N 3.32Å; Q556-K558 PolarHBondContact O-N 3.3Å; Q556-L559 PolarHBondContact O-N 2.92Å; Q556-L559 VanDerWaalsContact O-N 3.17Å; Q556-F560 WeakPolarHBondContact O-CD2 3.43Å; Q556-F560 PolarHBondContact O-N 3.23Å
557	M	49.7	Very low	51.8	Low	142 Å²	142	102.6 Å²	102.6	70%	0.7	50%	0.503	S	S	*	.	H	α-helix	trans	-64.3	-35.4	177	-69	-68.9	-83.7	0	0	112.4	E553 G561	E553-M557 WeakPolarHBondContact O-CB 3.39Å; E553-M557 WeakPolarHBondContact O-CG 3.44Å; E553-M557 PolarHBondContact O-N 2.98Å; M557-G561 PolarHBondContact O-N 2.79Å
558	K	53.2	Low	51.5	Low	128 Å²	128	105.2 Å²	105.2	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-70.5	-32.5	173.8	-75.8	170.4	-172.2	164.7	0	113.1	E554 T555 Q556 R562	E554-K558 WeakPolarHBondContact O-CB 3.32Å; E554-K558 VanDerWaalsContact O-CG 3.25Å; E554-K558 WeakPolarHBondContact O-CG 3.43Å; E554-K558 PolarHBondContact O-N 3.39Å; E554-K558 VanDerWaalsContact O-N 3.13Å; E554-K558 IonicContact OE1-NZ 3.83Å; E554-K558 PolarHBondContact OE1-NZ 3.3Å; T555-K558 PolarHBondContact O-N 3.39Å; Q556-K558 VanDerWaalsContact C-N 3.32Å; Q556-K558 PolarHBondContact O-N 3.3Å; K558-R562 PolarHBondContact O-N 3.03Å; K558-R562 VanDerWaalsContact O-N 3.11Å
559	L	50.8	Low	51.3	Low	105 Å²	105	109.5 Å²	109.5	55%	0.55	52%	0.524	S	S	.	.	H	α-helix	trans	-74.4	-40.7	175.1	-75.2	167.4	0	0	0	111.8	T555 Q556 G561 R562 A563	T555-L559 WeakPolarHBondContact O-CB 3.46Å; T555-L559 WeakPolarHBondContact O-CG 3.18Å; T555-L559 PolarHBondContact O-N 2.98Å; Q556-L559 PolarHBondContact O-N 2.92Å; Q556-L559 VanDerWaalsContact O-N 3.17Å; L559-G561 VanDerWaalsContact C-N 3.34Å; L559-R562 PolarHBondContact O-N 3.33Å; L559-A563 WeakPolarHBondContact O-CB 3.25Å; L559-A563 PolarHBondContact O-N 2.96Å
560	F	46.1	Very low	50.6	Low	137 Å²	137	110.7 Å²	110.7	60%	0.601	53%	0.533	S	S	*	.	H	α-helix	trans	-62.3	-40.8	171.2	-92.1	-81.1	0	0	0	111.7	Q556 R562 A563 Q564	Q556-F560 WeakPolarHBondContact O-CD2 3.43Å; Q556-F560 PolarHBondContact O-N 3.23Å; F560-R562 VanDerWaalsContact C-N 3.34Å; F560-R562 PolarHBondContact O-N 3.32Å; F560-A563 PolarHBondContact O-N 3.19Å; F560-Q564 VanDerWaalsContact O-CB 3.27Å; F560-Q564 WeakPolarHBondContact O-CB 3.49Å; F560-Q564 PolarHBondContact O-N 3.42Å
561	G	44.4	Very low	49.7	Very low	30 Å²	30	107.8 Å²	107.8	31%	0.309	54%	0.538	S	S	.	.	H	α-helix	trans	-63.9	-34.9	174.3	0	0	0	0	0	113.7	M557 L559 L565	M557-G561 PolarHBondContact O-N 2.79Å; L559-G561 VanDerWaalsContact C-N 3.34Å; G561-L565 WeakPolarHBondContact O-CB 3.07Å; G561-L565 WeakPolarHBondContact O-CD1 3.39Å; G561-L565 WeakPolarHBondContact O-CG 3.44Å; G561-L565 PolarHBondContact O-N 2.84Å
562	R	48.1	Very low	48.7	Very low	178 Å²	178	107.1 Å²	107.1	67%	0.672	55%	0.554	S	S	*	*	H	α-helix	trans	-72.2	-41.5	174.3	-111.9	-177.7	178.2	174.8	-1.9	112.6	K558 L559 F560 Q564 L565 E566	K558-R562 PolarHBondContact O-N 3.03Å; K558-R562 VanDerWaalsContact O-N 3.11Å; L559-R562 PolarHBondContact O-N 3.33Å; F560-R562 VanDerWaalsContact C-N 3.34Å; F560-R562 PolarHBondContact O-N 3.32Å; R562-Q564 VanDerWaalsContact C-N 3.31Å; R562-L565 PolarHBondContact O-N 3.33Å; R562-E566 WeakPolarHBondContact O-CB 3.29Å; R562-E566 WeakPolarHBondContact O-CG 3.22Å; R562-E566 PolarHBondContact O-N 2.99Å
563	A	47.7	Very low	47.9	Very low	54 Å²	54	103.9 Å²	103.9	45%	0.446	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-35.2	175.6	0	0	0	0	0	111.8	L559 F560 A567	L559-A563 WeakPolarHBondContact O-CB 3.25Å; L559-A563 PolarHBondContact O-N 2.96Å; F560-A563 PolarHBondContact O-N 3.19Å; A563-A567 VanDerWaalsContact O-CB 3.25Å; A563-A567 WeakPolarHBondContact O-CB 3.45Å; A563-A567 PolarHBondContact O-N 3.05Å
564	Q	43.3	Very low	47	Very low	119 Å²	119	105.1 Å²	105.1	56%	0.556	57%	0.567	S	S	*	*	H	α-helix	trans	-71.7	-39.8	174.8	-170.1	168.5	-16.9	0	0	111.9	F560 R562 A567 E568	F560-Q564 VanDerWaalsContact O-CB 3.27Å; F560-Q564 WeakPolarHBondContact O-CB 3.49Å; F560-Q564 PolarHBondContact O-N 3.42Å; R562-Q564 VanDerWaalsContact C-N 3.31Å; Q564-A567 PolarHBondContact O-N 3.11Å; Q564-E568 WeakPolarHBondContact O-CB 3.4Å; Q564-E568 VanDerWaalsContact O-CG 3.29Å; Q564-E568 WeakPolarHBondContact O-CG 3.49Å; Q564-E568 PolarHBondContact O-N 3.49Å
565	L	46.6	Very low	45.9	Very low	113 Å²	113	109 Å²	109	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-67.4	-32.1	172.3	-80.2	164.4	0	0	0	113	G561 R562 R569	G561-L565 WeakPolarHBondContact O-CB 3.07Å; G561-L565 WeakPolarHBondContact O-CD1 3.39Å; G561-L565 WeakPolarHBondContact O-CG 3.44Å; G561-L565 PolarHBondContact O-N 2.84Å; R562-L565 PolarHBondContact O-N 3.33Å; L565-R569 VanDerWaalsContact O-CB 3.28Å; L565-R569 WeakPolarHBondContact O-CB 3.25Å; L565-R569 PolarHBondContact O-N 3.3Å
566	E	48.3	Very low	44.5	Very low	116 Å²	116	110.5 Å²	110.5	54%	0.542	61%	0.609	S	S	.	*	H	α-helix	trans	-75.4	-35.2	173.3	-78.5	174.1	171.3	0	0	112.2	R562 R569 N570	R562-E566 WeakPolarHBondContact O-CB 3.29Å; R562-E566 WeakPolarHBondContact O-CG 3.22Å; R562-E566 PolarHBondContact O-N 2.99Å; E566-R569 PolarHBondContact O-N 3.29Å; E566-N570 WeakPolarHBondContact O-CB 3.38Å; E566-N570 VanDerWaalsContact O-CG 3.29Å; E566-N570 PolarHBondContact O-N 3.44Å
567	A	44.8	Very low	43.4	Very low	58 Å²	58	117.6 Å²	117.6	48%	0.479	64%	0.639	S	S	.	*	H	α-helix	trans	-67.1	-39.5	170.7	0	0	0	0	0	111.7	A563 Q564 N570 A571	A563-A567 VanDerWaalsContact O-CB 3.25Å; A563-A567 WeakPolarHBondContact O-CB 3.45Å; A563-A567 PolarHBondContact O-N 3.05Å; Q564-A567 PolarHBondContact O-N 3.11Å; A567-N570 PolarHBondContact O-N 3.4Å; A567-A571 WeakPolarHBondContact O-CB 3.17Å; A567-A571 PolarHBondContact O-N 2.95Å
568	E	48.3	Very low	42.6	Very low	109 Å²	109	115 Å²	115	51%	0.509	64%	0.64	S	S	.	*	H	α-helix	trans	-69.5	-32.7	173.7	-74.7	173.9	-175.5	0	0	112	Q564 G572	Q564-E568 WeakPolarHBondContact O-CB 3.4Å; Q564-E568 VanDerWaalsContact O-CG 3.29Å; Q564-E568 WeakPolarHBondContact O-CG 3.49Å; Q564-E568 PolarHBondContact O-N 3.49Å; E568-G572 WeakPolarHBondContact O-CA 3.41Å; E568-G572 PolarHBondContact O-N 3.29Å
569	R	46.7	Very low	41.7	Very low	200 Å²	200	117.2 Å²	117.2	76%	0.755	66%	0.657	S	S	*	*	H	α-helix	trans	-72.3	-31	173.3	-159.9	178.3	80.1	143.4	4.2	113	L565 E566	L565-R569 VanDerWaalsContact O-CB 3.28Å; L565-R569 WeakPolarHBondContact O-CB 3.25Å; L565-R569 PolarHBondContact O-N 3.3Å; E566-R569 PolarHBondContact O-N 3.29Å
570	N	43.8	Very low	40.6	Very low	133 Å²	133	117.2 Å²	117.2	71%	0.711	67%	0.672	S	S	*	*	H	α-helix	trans	-87.3	-21.8	176.3	-71.2	-10.9	0	0	0	113	E566 A567	E566-N570 WeakPolarHBondContact O-CB 3.38Å; E566-N570 VanDerWaalsContact O-CG 3.29Å; E566-N570 PolarHBondContact O-N 3.44Å; A567-N570 PolarHBondContact O-N 3.4Å
571	A	45	Very low	39.9	Very low	74 Å²	74	119 Å²	119	61%	0.612	68%	0.682	S	S	*	*	H	α-helix	trans	-92	-15.9	173.9	0	0	0	0	0	113.5	A567 G573	A567-A571 WeakPolarHBondContact O-CB 3.17Å; A567-A571 PolarHBondContact O-N 2.95Å; A571-G573 PolarHBondContact O-N 3.14Å
572	G	36.8	Very low	39.3	Very low	69 Å²	69	124.4 Å²	124.4	71%	0.711	70%	0.704	S	S	*	*			trans	-73.9	27.8	179.7	0	0	0	0	0	115.7	E568	E568-G572 WeakPolarHBondContact O-CA 3.41Å; E568-G572 PolarHBondContact O-N 3.29Å
573	G	39.9	Very low	38.3	Very low	62 Å²	62	123.2 Å²	123.2	64%	0.639	72%	0.716	S	S	*	*	S	Bend	trans	-112.9	23.1	177.8	0	0	0	0	0	113.9	A571	A571-G573 PolarHBondContact O-N 3.14Å
574	L	39.6	Very low	37.3	Very low	154 Å²	154	124.9 Å²	124.9	81%	0.806	73%	0.73	S	S	*	*	S	Bend	trans	175	126.5	157.6	-96.9	144.7	0	0	0	110.2
575	L	31.6	Very low	36.7	Very low	168 Å²	168	123.9 Å²	123.9	88%	0.88	74%	0.742	S	S	*	*			trans	85.5	90.1	169.3	-54.3	169.2	0	0	0	118.4
576	A	28.4	Very low	35.8	Very low	99 Å²	99	123.3 Å²	123.3	82%	0.818	75%	0.753	S	S	*	*				179	94	126.6	0	0	0	0	0	111.7
577	F	28.7	Very low	34.9	Very low	222 Å²	222	128.8 Å²	128.8	97%	0.974	77%	0.769	S	S	*	*			trans	-123.8	90.2	151.9	-106.9	-79.4	0	0	0	107.4
578	A	33.2	Very low	34.2	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	79%	0.786	S	S	*	*			trans	-163.5	132.4	153.5	0	0	0	0	0	109.2
579	L	33.6	Very low	33.2	Very low	175 Å²	175	136 Å²	136	92%	0.916	80%	0.797	S	S	*	*			trans	82.1	90.6	170.7	-49.1	177.3	0	0	0	116.8
580	A	27.9	Very low	32.2	Very low	104 Å²	104	136.1 Å²	136.1	86%	0.86	80%	0.804	S	S	*	*				-179.4	114.3	113.5	0	0	0	0	0	110.5
581	E	30.6	Very low	31.8	Very low	175 Å²	175	134.6 Å²	134.6	82%	0.818	80%	0.801	S	S	*	*			trans	-68.9	152.7	161.3	-67.1	175.8	137.9	0	0	110.8
582	N	31.5	Very low	31	Very low	143 Å²	143	139.1 Å²	139.1	77%	0.765	81%	0.814	S	S	*	*			trans	67.1	95.4	155	-63.8	-37.1	0	0	0	119.2
583	V	28.4	Very low	31	Very low	153 Å²	153	141.6 Å²	141.6	93%	0.927	82%	0.818	S	S	*	*				-149.3	130.5	124.8	-179.1	0	0	0	0	109.7
584	A	26.8	Very low	30.5	Very low	89 Å²	89	146.5 Å²	146.5	74%	0.736	83%	0.829	S	S	*	*			trans	-79.6	157.5	-179.1	0	0	0	0	0	114.4
585	A	29.3	Very low	30.4	Very low	98 Å²	98	144.1 Å²	144.1	81%	0.81	82%	0.823	S	S	*	*			trans	68.5	108.5	148.3	0	0	0	0	0	119.9
586	A	29.6	Very low	30.5	Very low	101 Å²	101	148.4 Å²	148.4	84%	0.835	83%	0.828	S	S	*	*				174.7	111.6	114.2	0	0	0	0	0	110.6
587	R	28.3	Very low	30.5	Very low	232 Å²	232	148.5 Å²	148.5	88%	0.875	83%	0.828	S	S	*	*			trans	-99.6	137.9	163.9	-86.5	-179.7	161.5	-179.3	-4.6	109
588	P	30.8	Very low	30.7	Very low	128 Å²	128	143.2 Å²	143.2	83%	0.831	83%	0.825	S	S	*	*			trans	-112	130.1	146.9	21.9	-5.7	0	0	0	111.4
589	Y	27	Very low	30.4	Very low	191 Å²	191	142.4 Å²	142.4	75%	0.749	83%	0.826	S	S	*	*			trans	-70.9	150	171.1	-107.6	-107.5	0	0	0	112.4
590	F	25.6	Very low	30.3	Very low	202 Å²	202	142.7 Å²	142.7	89%	0.886	83%	0.827	S	S	*	*				-178.8	158.1	126.1	-97.5	-61.8	0	0	0	110.3
591	P	36.2	Very low	30.4	Very low	101 Å²	101	142.6 Å²	142.6	66%	0.656	83%	0.827	S	S	*	*				-122.8	162.8	-129.7	19.3	7.2	0	0	0	113.3
592	L	27.8	Very low	30.3	Very low	169 Å²	169	137.9 Å²	137.9	89%	0.885	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-85.6	146.4	161.2	-87.4	95.5	0	0	0	110.3
593	P	35.5	Very low	30.3	Very low	121 Å²	121	139 Å²	139	79%	0.786	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-92.2	130.6	174.8	33.6	-27.8	0	0	0	112.1
594	D	29.8	Very low	30.9	Very low	164 Å²	164	137.4 Å²	137.4	88%	0.877	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.5	152	165.5	-83.7	-33.1	0	0	0	111.8
595	P	38.2	Very low	30.9	Very low	105 Å²	105	136.6 Å²	136.6	68%	0.682	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-99.7	146.6	179.5	40.5	-32.8	0	0	0	112
596	W	32.8	Very low	31.1	Very low	258 Å²	258	140.9 Å²	140.9	98%	0.977	83%	0.831	S	S	*	*			trans	101.1	94.7	168.7	-69.7	58.5	0	0	0	119
597	A	28.2	Very low	31	Very low	100 Å²	100	141 Å²	141	83%	0.826	83%	0.832	S	S	*	*			trans	-162.5	100.8	139.7	0	0	0	0	0	107.7
598	A	33.5	Very low	31	Very low	111 Å²	111	133.1 Å²	133.1	92%	0.917	82%	0.824	S	S	*	*				83.5	122	93.1	0	0	0	0	0	115
599	G	27.4	Very low	30.9	Very low	71 Å²	71	135.5 Å²	135.5	73%	0.732	83%	0.828	S	S	*	*			trans	137	100.5	143.1	0	0	0	0	0	119.8
600	L	30.6	Very low	31	Very low	180 Å²	180	133.4 Å²	133.4	94%	0.942	83%	0.83	S	S	*	*			trans	77	112.8	136.6	-58.5	170.8	0	0	0	121.2
601	A	31.4	Very low	31.2	Very low	103 Å²	103	132.1 Å²	132.1	85%	0.851	83%	0.827	S	S	*	*				159.8	134.9	95.3	0	0	0	0	0	113.8
602	G	27.5	Very low	30.9	Very low	75 Å²	75	133.6 Å²	133.6	77%	0.773	83%	0.833	S	S	*	*			trans	103.7	84.4	143.4	0	0	0	0	0	120.9
603	L	32.1	Very low	30.9	Very low	167 Å²	167	130.2 Å²	130.2	87%	0.874	83%	0.83	S	S	*	*			trans	18.2	163.9	135.1	-67.8	170.3	0	0	0	122
604	P	40.3	Very low	30.5	Very low	120 Å²	120	130 Å²	130	78%	0.779	83%	0.831	S	S	*	*				-134.6	168.9	-66.3	36.3	-16.2	0	0	0	111.9
605	G	27.9	Very low	30.5	Very low	72 Å²	72	130.1 Å²	130.1	74%	0.742	83%	0.828	S	S	*	*			trans	158.1	114.8	159.5	0	0	0	0	0	118.8
606	L	32	Very low	30.2	Very low	187 Å²	187	128.9 Å²	128.9	98%	0.979	82%	0.822	S	S	*	*			trans	84	125.6	149.8	-63.9	172.4	0	0	0	119.8
607	A	28.8	Very low	30.2	Very low	104 Å²	104	125.7 Å²	125.7	86%	0.86	82%	0.818	S	S	*	*			trans	-73.7	161.1	177.9	0	0	0	0	0	113
608	G	26.9	Very low	30.4	Very low	67 Å²	67	125.7 Å²	125.7	69%	0.691	82%	0.818	S	S	*	*			trans	127.5	124.5	138.6	0	0	0	0	0	116.2
609	L	30.1	Very low	30.4	Very low	177 Å²	177	128 Å²	128	93%	0.927	82%	0.815	S	S	*	*			trans	97.6	113	142.9	-57	170.9	0	0	0	118.6
610	N	28.1	Very low	30.8	Very low	147 Å²	147	136.1 Å²	136.1	79%	0.786	84%	0.842	S	S	*	*			trans	-36.8	139.8	149.3	-63.3	-36	0	0	0	112.9
611	H	30.7	Very low	30.9	Very low	176 Å²	176	133.9 Å²	133.9	82%	0.815	84%	0.837	S	S	*	*				-173.7	121.4	121.9	-104.5	-75	0	0	0	111.3
612	V	29.6	Very low	30.8	Very low	131 Å²	131	135.5 Å²	135.5	79%	0.794	84%	0.836	S	S	*	*			trans	18.2	119.7	131.1	-168.2	0	0	0	0	117.2
613	A	28.1	Very low	31	Very low	98 Å²	98	138.9 Å²	138.9	81%	0.81	84%	0.839	S	S	*	*			trans	-161.4	115.7	136.6	0	0	0	0	0	111.3
614	S	27.1	Very low	31	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	84%	0.837	S	S	*	*			trans	-76.7	133.6	158.3	177.7	0	0	0	0	108.8
615	M	28.8	Very low	30.4	Very low	168 Å²	168	138.3 Å²	138.3	83%	0.828	84%	0.841	S	S	*	*			trans	-158.8	104.3	154.5	-70.6	-145.1	97.5	0	0	106.4
616	S	32.1	Very low	30.5	Very low	79 Å²	79	142.7 Å²	142.7	55%	0.552	85%	0.847	S	S	*	*				63.1	114	85.2	72.7	0	0	0	0	114.4
617	E	32.8	Very low	30.4	Very low	191 Å²	191	139.6 Å²	139.6	89%	0.893	84%	0.838	S	S	*	*			trans	54.1	119.4	141.9	-61.6	-179.9	149.3	0	0	119.6
618	A	31.9	Very low	30.5	Very low	100 Å²	100	142.3 Å²	142.3	83%	0.826	84%	0.836	S	S	*	*				-166.5	123	121.5	0	0	0	0	0	110.8
619	N	33.1	Very low	30.9	Very low	158 Å²	158	148.6 Å²	148.6	85%	0.845	85%	0.848	S	S	*	*			trans	-50.3	140.7	160.4	-73.2	-37.8	0	0	0	112
620	N	37.8	Very low	30.9	Very low	242 Å²	242	146 Å²	146	100%	1.294	84%	0.841	S	S	*	*				-163.6	0	126.8	-104	-20.4	0	0	0	110.8

Retrieved 620 of 620 residues in 181.9 ms (Link to these results)

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