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Beta-1,3-galactosyltransferase 2

Beta-1,3-galactosyltransferase that transfers galactose from UDP-galactose to substrates with a terminal beta-N-acetylglucosamine (beta-GlcNAc) residue. Can also utilize substrates with a terminal galactose residue, albeit with lower efficiency. Involved in the biosynthesis of the carbohydrate moieties of glycolipids and glycoproteins. Inactive towards substrates with terminal alpha-N-acetylglucosamine (alpha-GlcNAc) or alpha-N-acetylgalactosamine (alpha-GalNAc) residues.

AlphaFold DB , UniProt , Accession O43825, Species HUMAN (Homo sapiens, Human), Gene B3GALT2, Length 422 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	36.9	Very low	237 Å²	237	198 Å²	198	100%	1.167	90%	0.903	S	S	*	*				0	94.6	0	-160.2	-171.4	-131.2	0	0	107.6
2	L	35.1	Very low	37.8	Very low	174 Å²	174	189.6 Å²	189.6	91%	0.911	90%	0.895	S	S	*	*			trans	-136.6	108.7	179.1	-91.5	157.8	0	0	0	108.5
3	Q	35.5	Very low	38.6	Very low	188 Å²	188	190.9 Å²	190.9	88%	0.879	90%	0.895	S	S	*	*			trans	-72.4	128.9	-173.2	-75.6	171	-33.9	0	0	112
4	W	33	Very low	40.2	Very low	250 Å²	250	184.8 Å²	184.8	95%	0.947	87%	0.868	S	S	*	*			trans	-81.1	114.1	167	-93.3	69.6	0	0	0	110.5
5	R	37.2	Very low	41.8	Very low	224 Å²	224	178.8 Å²	178.8	85%	0.845	85%	0.849	S	S	*	*			trans	-76.5	118.9	172.5	-80.4	-174.7	172.7	-155.2	1.1	110.7
6	R	36.2	Very low	43.6	Very low	243 Å²	243	180.4 Å²	180.4	92%	0.917	84%	0.844	S	S	*	*			trans	-71.2	129.2	162.3	-73.5	179.8	177.8	-174.7	-0.9	109.5
7	R	39.3	Very low	45.1	Very low	228 Å²	228	176.9 Å²	176.9	86%	0.86	83%	0.833	S	S	*	*			trans	-111.7	141.1	163.5	-75	-171	-172	-173.2	3.9	109.9
8	H	37.9	Very low	46.5	Very low	182 Å²	182	168.9 Å²	168.9	84%	0.843	80%	0.802	S	S	*	*			trans	-59.6	140.7	-174.8	-67.8	-95.9	0	0	0	114.5
9	C	37.7	Very low	47.9	Very low	126 Å²	126	166.6 Å²	166.6	85%	0.851	79%	0.788	S	S	*	*			trans	-102.9	107.8	154.9	-77	0	0	0	0	108.4
10	C	39	Very low	49.3	Very low	119 Å²	119	166.3 Å²	166.3	80%	0.804	78%	0.779	S	S	*	*			trans	-70.9	130.1	171.4	-69.2	0	0	0	0	110.3	A12	C10-A12 PolarHBondContact O-N 3.22Å
11	F	40.8	Very low	50.5	Low	207 Å²	207	161.9 Å²	161.9	91%	0.908	77%	0.766	S	S	*	*			trans	-66.8	108.3	167.2	-84.3	-92	0	0	0	109.4	K13	F11-K13 PolarHBondContact O-N 3.17Å
12	A	46.9	Very low	52.4	Low	97 Å²	97	154.1 Å²	154.1	80%	0.802	73%	0.729	S	S	*	*			trans	-63.7	116.4	174.7	0	0	0	0	0	110.2	C10 M14	C10-A12 PolarHBondContact O-N 3.22Å; A12-M14 PolarHBondContact O-N 3.1Å; A12-M14 VanDerWaalsContact O-N 3.1Å
13	K	48.5	Very low	54.5	Low	207 Å²	207	152.6 Å²	152.6	90%	0.9	72%	0.716	S	S	*	*			trans	-62.8	108	168.1	-93.1	177.1	174.4	174.1	0	108.7	F11 T15	F11-K13 PolarHBondContact O-N 3.17Å; K13-T15 PolarHBondContact O-N 3.42Å
14	M	60.6	Low	56.5	Low	105 Å²	105	151.6 Å²	151.6	52%	0.517	70%	0.704	S	S	.	*			trans	-65.8	124.7	-179.9	-161.2	161.4	81.9	0	0	111	A12 A18 K19 L22	A12-M14 PolarHBondContact O-N 3.1Å; A12-M14 VanDerWaalsContact O-N 3.1Å; M14-A18 HydrophobicContact CG-CB 3.63Å; M14-A18 HydrophobicContact SD-CB 4.4Å; M14-K19 HydrophobicContact CE-CG 3.94Å; M14-L22 HydrophobicContact CE-CD1 3.44Å; M14-L22 VanDerWaalsContact CE-CD1 3.44Å; M14-L22 HydrophobicContact SD-CD1 3.92Å
15	T	64.5	Low	58.8	Low	95 Å²	95	143.4 Å²	143.4	58%	0.583	68%	0.681	S	S	*	*			trans	-71.3	155.1	-175.1	59.2	0	0	0	0	112.3	K13 N17 A18 K19	K13-T15 PolarHBondContact O-N 3.42Å; T15-N17 PolarHBondContact O-N 3.17Å; T15-N17 VanDerWaalsContact O-N 3.17Å; T15-A18 WeakPolarHBondContact O-CB 3.44Å; T15-A18 PolarHBondContact O-N 3.34Å; T15-K19 PolarHBondContact O-N 3Å
16	W	70.3	Confident	61	Low	204 Å²	204	138.6 Å²	138.6	77%	0.773	67%	0.668	S	S	*	*	H	α-helix	trans	-52.8	-36.9	-178.2	-179.5	-100.4	0	0	0	113.6	A18 K19 R20	W16-A18 PolarHBondContact O-N 3.12Å; W16-K19 PolarHBondContact O-N 3.37Å; W16-R20 PolarHBondContact O-N 3.4Å; W16-R20 VanDerWaalsContact O-N 3.12Å
17	N	69.7	Low	63.5	Low	121 Å²	121	131.3 Å²	131.3	65%	0.647	65%	0.647	S	S	*	*	H	α-helix	trans	-66.8	-36.3	177.3	-69.6	-18.7	0	0	0	112.7	T15 R20 S21	T15-N17 PolarHBondContact O-N 3.17Å; T15-N17 VanDerWaalsContact O-N 3.17Å; N17-R20 PolarHBondContact O-N 2.99Å; N17-S21 PolarHBondContact O-N 2.95Å
18	A	70.4	Confident	65.7	Low	34 Å²	34	125.9 Å²	125.9	28%	0.281	63%	0.634	S	S	.	*	H	α-helix	trans	-68	-38.1	176	0	0	0	0	0	111.7	M14 T15 W16 S21 L22	M14-A18 HydrophobicContact CG-CB 3.63Å; M14-A18 HydrophobicContact SD-CB 4.4Å; T15-A18 WeakPolarHBondContact O-CB 3.44Å; T15-A18 PolarHBondContact O-N 3.34Å; W16-A18 PolarHBondContact O-N 3.12Å; A18-S21 PolarHBondContact O-N 3.5Å; A18-L22 PolarHBondContact O-N 3.26Å
19	K	73.7	Confident	68.1	Low	124 Å²	124	118.9 Å²	118.9	54%	0.539	61%	0.611	S	S	.	*	H	α-helix	trans	-61.5	-42.9	172.7	-71.7	-177	177.4	-177.5	0	112.1	M14 T15 W16 F23	M14-K19 HydrophobicContact CE-CG 3.94Å; T15-K19 PolarHBondContact O-N 3Å; W16-K19 PolarHBondContact O-N 3.37Å; K19-F23 WeakPolarHBondContact O-CB 3.43Å; K19-F23 PolarHBondContact O-N 3.41Å
20	R	74.4	Confident	70.7	Confident	161 Å²	161	117 Å²	117	61%	0.608	60%	0.596	S	S	*	*	H	α-helix	trans	-68.5	-36.4	178.9	-166.1	176.7	178.5	-175.4	0.1	112.5	W16 N17 F23 R24	W16-R20 PolarHBondContact O-N 3.4Å; W16-R20 VanDerWaalsContact O-N 3.12Å; N17-R20 PolarHBondContact O-N 2.99Å; R20-F23 PolarHBondContact O-N 2.97Å; R20-R24 PolarHBondContact O-N 3.49Å
21	S	75.4	Confident	73.2	Confident	73 Å²	73	116.6 Å²	116.6	51%	0.51	58%	0.584	S	S	.	*	H	α-helix	trans	-65.6	-48	175.3	-171.7	0	0	0	0	111.6	N17 A18 F23 R24 T25	N17-S21 PolarHBondContact O-N 2.95Å; A18-S21 PolarHBondContact O-N 3.5Å; S21-F23 VanDerWaalsContact C-N 3.33Å; S21-F23 PolarHBondContact O-N 3.17Å; S21-R24 PolarHBondContact O-N 3.42Å; S21-T25 PolarHBondContact O-N 3Å; S21-T25 PolarHBondContact O-OG1 3.04Å
22	L	74.8	Confident	75.5	Confident	74 Å²	74	109.9 Å²	109.9	39%	0.387	56%	0.564	S	S	.	*	H	α-helix	trans	-60.2	-42.1	174.3	-77.1	164.5	0	0	0	111.8	M14 A18 R24 T25 H26	M14-L22 HydrophobicContact CE-CD1 3.44Å; M14-L22 VanDerWaalsContact CE-CD1 3.44Å; M14-L22 HydrophobicContact SD-CD1 3.92Å; A18-L22 PolarHBondContact O-N 3.26Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 2.95Å; L22-T25 WeakPolarHBondContact CA-OG1 3.42Å; L22-T25 PolarHBondContact O-N 2.91Å; L22-T25 PolarHBondContact O-OG1 3.29Å; L22-H26 WeakPolarHBondContact O-CB 3.24Å; L22-H26 PolarHBondContact O-CD2 2.92Å; L22-H26 PolarHBondContact O-N 2.96Å
23	F	79.5	Confident	77.7	Confident	143 Å²	143	111 Å²	111	63%	0.627	56%	0.555	S	S	*	*	H	α-helix	trans	-61.8	-39.6	176.7	-168.3	-97	0	0	0	112.2	K19 R20 S21 L27	K19-F23 WeakPolarHBondContact O-CB 3.43Å; K19-F23 PolarHBondContact O-N 3.41Å; R20-F23 PolarHBondContact O-N 2.97Å; S21-F23 VanDerWaalsContact C-N 3.33Å; S21-F23 PolarHBondContact O-N 3.17Å; F23-L27 VanDerWaalsContact O-CB 3.29Å; F23-L27 WeakPolarHBondContact O-CB 3.48Å; F23-L27 PolarHBondContact O-N 2.91Å
24	R	77.4	Confident	79.8	Confident	167 Å²	167	105.4 Å²	105.4	63%	0.63	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-43.9	174.6	-86.5	-174.1	160.9	-156.5	-4.3	112.6	R20 S21 L22 L27 I28	R20-R24 PolarHBondContact O-N 3.49Å; S21-R24 PolarHBondContact O-N 3.42Å; L22-R24 VanDerWaalsContact C-N 3.31Å; L22-R24 PolarHBondContact O-N 2.95Å; R24-L27 PolarHBondContact O-N 2.9Å; R24-I28 WeakPolarHBondContact O-CD1 3.29Å; R24-I28 VanDerWaalsContact O-CG1 3.24Å; R24-I28 WeakPolarHBondContact O-CG1 3.43Å; R24-I28 PolarHBondContact O-N 3.35Å
25	T	80.1	Confident	81.3	Confident	77 Å²	77	107 Å²	107	47%	0.472	54%	0.543	S	S	.	.	H	α-helix	trans	-66.9	-39	178.8	55	0	0	0	0	111.7	S21 L22 G29	S21-T25 PolarHBondContact O-N 3Å; S21-T25 PolarHBondContact O-OG1 3.04Å; L22-T25 WeakPolarHBondContact CA-OG1 3.42Å; L22-T25 PolarHBondContact O-N 2.91Å; L22-T25 PolarHBondContact O-OG1 3.29Å; T25-G29 PolarHBondContact O-N 3.41Å
26	H	84.1	Confident	82.6	Confident	124 Å²	124	107.7 Å²	107.7	57%	0.574	54%	0.542	S	S	*	.	H	α-helix	trans	-64.5	-43.1	173.1	-73.2	-61.1	0	0	0	112	L22 G29 V30	L22-H26 WeakPolarHBondContact O-CB 3.24Å; L22-H26 PolarHBondContact O-CD2 2.92Å; L22-H26 PolarHBondContact O-N 2.96Å; H26-G29 PolarHBondContact O-N 3.39Å; H26-V30 VanDerWaalsContact O-CG2 3.29Å; H26-V30 WeakPolarHBondContact O-CG2 3.42Å; H26-V30 PolarHBondContact O-N 2.95Å
27	L	88	Confident	83.5	Confident	89 Å²	89	104 Å²	104	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-63.1	-43.3	178	-172.1	67.3	0	0	0	111.9	F23 R24 V30 L31	F23-L27 VanDerWaalsContact O-CB 3.29Å; F23-L27 WeakPolarHBondContact O-CB 3.48Å; F23-L27 PolarHBondContact O-N 2.91Å; R24-L27 PolarHBondContact O-N 2.9Å; L27-V30 PolarHBondContact O-N 2.93Å; L27-L31 HydrophobicContact CG-CD1 4.2Å; L27-L31 WeakPolarHBondContact O-CB 3.29Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.5Å; L27-L31 PolarHBondContact O-N 3.31Å
28	I	86.7	Confident	84.4	Confident	115 Å²	115	100.5 Å²	100.5	59%	0.59	52%	0.52	S	S	*	.	H	α-helix	trans	-63.6	-42.8	175.3	-66.5	164.2	0	0	0	110.7	R24 V30 L31 S32	R24-I28 WeakPolarHBondContact O-CD1 3.29Å; R24-I28 VanDerWaalsContact O-CG1 3.24Å; R24-I28 WeakPolarHBondContact O-CG1 3.43Å; R24-I28 PolarHBondContact O-N 3.35Å; I28-V30 PolarHBondContact O-N 3.29Å; I28-L31 PolarHBondContact O-N 3.35Å; I28-S32 WeakPolarHBondContact O-CB 3.28Å; I28-S32 PolarHBondContact O-N 3.5Å
29	G	87.6	Confident	85.2	Confident	35 Å²	35	102 Å²	102	36%	0.361	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-42.9	177	0	0	0	0	0	112.9	T25 H26 S32 L33	T25-G29 PolarHBondContact O-N 3.41Å; H26-G29 PolarHBondContact O-N 3.39Å; G29-S32 PolarHBondContact O-N 3.27Å; G29-L33 PolarHBondContact O-N 2.93Å
30	V	91.3	Very high	85.9	Confident	87 Å²	87	102.1 Å²	102.1	53%	0.527	52%	0.523	S	S	.	.	H	α-helix	trans	-66.5	-44.4	176.5	172.6	0	0	0	0	111.1	H26 L27 I28 S32 L33 V34	H26-V30 VanDerWaalsContact O-CG2 3.29Å; H26-V30 WeakPolarHBondContact O-CG2 3.42Å; H26-V30 PolarHBondContact O-N 2.95Å; L27-V30 PolarHBondContact O-N 2.93Å; I28-V30 PolarHBondContact O-N 3.29Å; V30-S32 VanDerWaalsContact C-N 3.3Å; V30-S32 PolarHBondContact O-N 3.48Å; V30-L33 PolarHBondContact O-N 3.08Å; V30-V34 HydrophobicContact CG1-CG2 4.42Å; V30-V34 WeakPolarHBondContact O-CG2 3.44Å; V30-V34 PolarHBondContact O-N 3.42Å
31	L	91.7	Very high	86.4	Confident	109 Å²	109	98.6 Å²	98.6	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-61.2	-38.9	176.8	-73.6	168.5	0	0	0	112.1	L27 I28 V34 F35	L27-L31 HydrophobicContact CG-CD1 4.2Å; L27-L31 WeakPolarHBondContact O-CB 3.29Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.5Å; L27-L31 PolarHBondContact O-N 3.31Å; I28-L31 PolarHBondContact O-N 3.35Å; L31-V34 PolarHBondContact O-N 3.38Å; L31-F35 WeakPolarHBondContact O-CB 3.45Å; L31-F35 PolarHBondContact O-N 2.95Å
32	S	90.4	Very high	86.6	Confident	67 Å²	67	101.3 Å²	101.3	47%	0.469	52%	0.518	S	S	.	.	H	α-helix	trans	-66.2	-41.2	176.4	-158.5	0	0	0	0	112	I28 G29 V30 F35 L36	I28-S32 WeakPolarHBondContact O-CB 3.28Å; I28-S32 PolarHBondContact O-N 3.5Å; G29-S32 PolarHBondContact O-N 3.27Å; V30-S32 VanDerWaalsContact C-N 3.3Å; V30-S32 PolarHBondContact O-N 3.48Å; S32-F35 PolarHBondContact O-N 3.39Å; S32-L36 VanDerWaalsContact O-CG 3.31Å; S32-L36 WeakPolarHBondContact O-CG 3.33Å; S32-L36 PolarHBondContact O-N 3.06Å
33	L	92.7	Very high	86.8	Confident	120 Å²	120	104.9 Å²	104.9	63%	0.628	53%	0.531	S	S	*	.	H	α-helix	trans	-63.5	-42.1	174	-83.1	162.3	0	0	0	112.6	G29 V30 F35 L36 F37	G29-L33 PolarHBondContact O-N 2.93Å; V30-L33 PolarHBondContact O-N 3.08Å; L33-F35 VanDerWaalsContact C-N 3.33Å; L33-L36 PolarHBondContact O-N 3.44Å; L33-F37 WeakPolarHBondContact O-CB 3.5Å; L33-F37 PolarHBondContact O-N 3.49Å
34	V	93	Very high	86.6	Confident	89 Å²	89	102.6 Å²	102.6	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-63.9	-40.7	175.8	173.1	0	0	0	0	110.7	V30 L31 F37 A38	V30-V34 HydrophobicContact CG1-CG2 4.42Å; V30-V34 WeakPolarHBondContact O-CG2 3.44Å; V30-V34 PolarHBondContact O-N 3.42Å; L31-V34 PolarHBondContact O-N 3.38Å; V34-F37 PolarHBondContact O-N 3.38Å; V34-A38 WeakPolarHBondContact O-CB 3.39Å; V34-A38 PolarHBondContact O-N 3.06Å
35	F	91.5	Very high	85.9	Confident	140 Å²	140	100.8 Å²	100.8	61%	0.614	52%	0.523	S	S	*	.	H	α-helix	trans	-65.4	-43	176.5	-168.9	-94.7	0	0	0	112.3	L31 S32 L33 F37 A38 M39	L31-F35 WeakPolarHBondContact O-CB 3.45Å; L31-F35 PolarHBondContact O-N 2.95Å; S32-F35 PolarHBondContact O-N 3.39Å; L33-F35 VanDerWaalsContact C-N 3.33Å; F35-F37 VanDerWaalsContact C-N 3.33Å; F35-F37 PolarHBondContact O-N 3.37Å; F35-A38 PolarHBondContact O-N 3.15Å; F35-M39 HydrophobicContact CD1-CG 4.13Å; F35-M39 HydrophobicContact CE1-CG 3.82Å; F35-M39 HydrophobicContact CE1-SD 4.35Å; F35-M39 HydrophobicContact CZ-CG 4.32Å; F35-M39 WeakPolarHBondContact O-CB 3.43Å; F35-M39 WeakPolarHBondContact O-CG 3.28Å; F35-M39 PolarHBondContact O-N 3.24Å
36	L	91.5	Very high	84.3	Confident	108 Å²	108	103.8 Å²	103.8	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-63.1	-39.4	174.6	-72.2	171.9	0	0	0	112	S32 L33 M39 F40	S32-L36 VanDerWaalsContact O-CG 3.31Å; S32-L36 WeakPolarHBondContact O-CG 3.33Å; S32-L36 PolarHBondContact O-N 3.06Å; L33-L36 PolarHBondContact O-N 3.44Å; L36-M39 PolarHBondContact O-N 3.39Å; L36-F40 WeakPolarHBondContact O-CB 3.34Å; L36-F40 PolarHBondContact O-N 3.44Å
37	F	90.1	Very high	82.3	Confident	126 Å²	126	104.6 Å²	104.6	55%	0.553	54%	0.541	S	S	*	.	H	α-helix	trans	-68.7	-41	175.6	-172.2	-106.2	0	0	0	112	L33 V34 F35 F40 L41	L33-F37 WeakPolarHBondContact O-CB 3.5Å; L33-F37 PolarHBondContact O-N 3.49Å; V34-F37 PolarHBondContact O-N 3.38Å; F35-F37 VanDerWaalsContact C-N 3.33Å; F35-F37 PolarHBondContact O-N 3.37Å; F37-F40 WeakPolarHBondContact O-CB 3.49Å; F37-F40 PolarHBondContact O-N 3.05Å; F37-L41 HydrophobicContact CD1-CD1 3.9Å; F37-L41 HydrophobicContact CD1-CG 4.29Å; F37-L41 HydrophobicContact CE1-CD1 3.52Å; F37-L41 HydrophobicContact CE1-CD2 4.44Å; F37-L41 HydrophobicContact CE1-CG 4.01Å; F37-L41 HydrophobicContact CZ-CD1 4.16Å; F37-L41 HydrophobicContact CZ-CD2 4.27Å; F37-L41 HydrophobicContact CZ-CG 4.26Å; F37-L41 WeakPolarHBondContact O-CG 3.43Å; F37-L41 PolarHBondContact O-N 3.43Å
38	A	88.2	Confident	79.8	Confident	49 Å²	49	111 Å²	111	41%	0.405	56%	0.559	S	S	.	*	H	α-helix	trans	-63.6	-40.6	174.4	0	0	0	0	0	111.6	V34 F35 L41 F42	V34-A38 WeakPolarHBondContact O-CB 3.39Å; V34-A38 PolarHBondContact O-N 3.06Å; F35-A38 PolarHBondContact O-N 3.15Å; A38-L41 PolarHBondContact O-N 2.91Å; A38-F42 WeakPolarHBondContact O-CB 3.26Å; A38-F42 PolarHBondContact O-N 3.24Å
39	M	87.8	Confident	77.4	Confident	66 Å²	66	112.5 Å²	112.5	33%	0.325	57%	0.567	S	S	.	*	H	α-helix	trans	-63.5	-45	172.7	-77.3	-92.6	66.7	0	0	111.4	F35 L36 L41 F42 F43	F35-M39 HydrophobicContact CD1-CG 4.13Å; F35-M39 HydrophobicContact CE1-CG 3.82Å; F35-M39 HydrophobicContact CE1-SD 4.35Å; F35-M39 HydrophobicContact CZ-CG 4.32Å; F35-M39 WeakPolarHBondContact O-CB 3.43Å; F35-M39 WeakPolarHBondContact O-CG 3.28Å; F35-M39 PolarHBondContact O-N 3.24Å; L36-M39 PolarHBondContact O-N 3.39Å; M39-L41 VanDerWaalsContact C-N 3.32Å; M39-L41 PolarHBondContact O-N 3.33Å; M39-F42 HydrophobicContact CE-CB 4.1Å; M39-F42 HydrophobicContact CE-CG 4.49Å; M39-F42 PolarHBondContact O-N 3.36Å; M39-F42 VanDerWaalsContact O-N 3.15Å; M39-F43 HydrophobicContact CB-CD2 4.33Å; M39-F43 HydrophobicContact CB-CE2 4.32Å; M39-F43 HydrophobicContact CE-CD2 4.26Å; M39-F43 HydrophobicContact CE-CE2 3.74Å; M39-F43 HydrophobicContact CE-CZ 4.3Å; M39-F43 WeakPolarHBondContact O-CB 3.45Å; M39-F43 WeakPolarHBondContact O-CD2 3.32Å; M39-F43 PolarHBondContact O-N 3.17Å; M39-F43 HydrophobicContact SD-CE2 3.87Å
40	F	87.3	Confident	74.8	Confident	126 Å²	126	117.4 Å²	117.4	55%	0.553	59%	0.592	S	S	*	*	H	α-helix	trans	-56.8	-46.8	173.9	179.3	-97.6	0	0	0	111	L36 F37 F42 F43 N44	L36-F40 WeakPolarHBondContact O-CB 3.34Å; L36-F40 PolarHBondContact O-N 3.44Å; F37-F40 WeakPolarHBondContact O-CB 3.49Å; F37-F40 PolarHBondContact O-N 3.05Å; F40-F42 PolarHBondContact O-N 3.45Å; F40-F43 PolarHBondContact O-N 2.96Å; F40-N44 WeakPolarHBondContact CD1-ND2 3.38Å; F40-N44 VanDerWaalsContact CD2-ND2 3.34Å; F40-N44 WeakPolarHBondContact CD2-ND2 3.48Å; F40-N44 WeakPolarHBondContact CE1-ND2 3.4Å; F40-N44 WeakPolarHBondContact CE2-ND2 3.46Å; F40-N44 WeakPolarHBondContact CG-ND2 3.5Å; F40-N44 WeakPolarHBondContact CZ-ND2 3.31Å; F40-N44 WeakPolarHBondContact O-CB 3.08Å; F40-N44 PolarHBondContact O-N 3.12Å; F40-N44 PolarHBondContact O-ND2 3.44Å
41	L	85.5	Confident	72.1	Confident	87 Å²	87	116.6 Å²	116.6	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-62.3	-42.9	174.8	-69.4	179.2	0	0	0	111.9	F37 A38 M39 N44 H45	F37-L41 HydrophobicContact CD1-CD1 3.9Å; F37-L41 HydrophobicContact CD1-CG 4.29Å; F37-L41 HydrophobicContact CE1-CD1 3.52Å; F37-L41 HydrophobicContact CE1-CD2 4.44Å; F37-L41 HydrophobicContact CE1-CG 4.01Å; F37-L41 HydrophobicContact CZ-CD1 4.16Å; F37-L41 HydrophobicContact CZ-CD2 4.27Å; F37-L41 HydrophobicContact CZ-CG 4.26Å; F37-L41 WeakPolarHBondContact O-CG 3.43Å; F37-L41 PolarHBondContact O-N 3.43Å; A38-L41 PolarHBondContact O-N 2.91Å; M39-L41 VanDerWaalsContact C-N 3.32Å; M39-L41 PolarHBondContact O-N 3.33Å; L41-N44 CarbonylContact O-C 3.56Å; L41-N44 PolarHBondContact O-N 3Å; L41-H45 WeakPolarHBondContact O-CB 3.49Å; L41-H45 PolarHBondContact O-N 3.36Å
42	F	79.8	Confident	69.1	Low	130 Å²	130	123.1 Å²	123.1	57%	0.57	62%	0.619	S	S	*	*	H	α-helix	trans	-63.6	-44.2	179.7	-153.2	-89.6	0	0	0	111.7	A38 M39 F40 H45 H46	A38-F42 WeakPolarHBondContact O-CB 3.26Å; A38-F42 PolarHBondContact O-N 3.24Å; M39-F42 HydrophobicContact CE-CB 4.1Å; M39-F42 HydrophobicContact CE-CG 4.49Å; M39-F42 PolarHBondContact O-N 3.36Å; M39-F42 VanDerWaalsContact O-N 3.15Å; F40-F42 PolarHBondContact O-N 3.45Å; F42-H45 PolarHBondContact O-N 3.49Å; F42-H46 WeakPolarHBondContact O-CB 3.07Å; F42-H46 PolarHBondContact O-N 3.14Å
43	F	78.2	Confident	66.5	Low	148 Å²	148	124.8 Å²	124.8	65%	0.649	64%	0.637	S	S	*	*	H	α-helix	trans	-68.1	-32	175.4	-75.5	-65.9	0	0	0	112.8	M39 F40	M39-F43 HydrophobicContact CB-CD2 4.33Å; M39-F43 HydrophobicContact CB-CE2 4.32Å; M39-F43 HydrophobicContact CE-CD2 4.26Å; M39-F43 HydrophobicContact CE-CE2 3.74Å; M39-F43 HydrophobicContact CE-CZ 4.3Å; M39-F43 WeakPolarHBondContact O-CB 3.45Å; M39-F43 WeakPolarHBondContact O-CD2 3.32Å; M39-F43 PolarHBondContact O-N 3.17Å; M39-F43 HydrophobicContact SD-CE2 3.87Å; F40-F43 PolarHBondContact O-N 2.96Å
44	N	75.4	Confident	63.7	Low	95 Å²	95	122.5 Å²	122.5	51%	0.508	64%	0.642	S	S	.	*	H	α-helix	trans	-80.6	-18.4	174	-75.6	-73.9	0	0	0	113.4	F40 L41	F40-N44 WeakPolarHBondContact CD1-ND2 3.38Å; F40-N44 VanDerWaalsContact CD2-ND2 3.34Å; F40-N44 WeakPolarHBondContact CD2-ND2 3.48Å; F40-N44 WeakPolarHBondContact CE1-ND2 3.4Å; F40-N44 WeakPolarHBondContact CE2-ND2 3.46Å; F40-N44 WeakPolarHBondContact CG-ND2 3.5Å; F40-N44 WeakPolarHBondContact CZ-ND2 3.31Å; F40-N44 WeakPolarHBondContact O-CB 3.08Å; F40-N44 PolarHBondContact O-N 3.12Å; F40-N44 PolarHBondContact O-ND2 3.44Å; L41-N44 CarbonylContact O-C 3.56Å; L41-N44 PolarHBondContact O-N 3Å
45	H	63.9	Low	60.8	Low	129 Å²	129	127 Å²	127	60%	0.597	66%	0.655	S	S	*	*	H	α-helix	trans	-100.4	-10.9	-178.8	-145.2	-58.2	0	0	0	113.3	L41 F42 D47 W48	L41-H45 WeakPolarHBondContact O-CB 3.49Å; L41-H45 PolarHBondContact O-N 3.36Å; F42-H45 PolarHBondContact O-N 3.49Å; H45-D47 PolarHBondContact O-N 3.17Å; H45-W48 AromaticContact CE1-CD1 3.84Å; H45-W48 AromaticContact CE1-NE1 3.93Å; H45-W48 AromaticContact ND1-CD1 3.84Å
46	H	45.1	Very low	58.1	Low	140 Å²	140	129.2 Å²	129.2	65%	0.648	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	6.9	176	-141.9	63.5	0	0	0	114.6	F42 W48	F42-H46 WeakPolarHBondContact O-CB 3.07Å; F42-H46 PolarHBondContact O-N 3.14Å; H46-W48 PolarHBondContact O-N 3.34Å
47	D	43.3	Very low	55.2	Low	142 Å²	142	132.2 Å²	132.2	76%	0.759	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	26.5	167	-77.7	-28.2	0	0	0	112.9	H45 L49	H45-D47 PolarHBondContact O-N 3.17Å; D47-L49 VanDerWaalsContact C-N 3.26Å; D47-L49 PolarHBondContact O-N 3.16Å
48	W	34.4	Very low	52.4	Low	223 Å²	223	132.2 Å²	132.2	85%	0.845	68%	0.681	S	S	*	*			trans	-90.3	54.5	165.5	-96.2	77.1	0	0	0	111.5	H45 H46	H45-W48 AromaticContact CE1-CD1 3.84Å; H45-W48 AromaticContact CE1-NE1 3.93Å; H45-W48 AromaticContact ND1-CD1 3.84Å; H46-W48 PolarHBondContact O-N 3.34Å
49	L	36.5	Very low	49.7	Very low	147 Å²	147	135.3 Å²	135.3	77%	0.77	70%	0.697	S	S	*	*	S	Bend	trans	-111	126.2	152.6	-80.6	167	0	0	0	107.1	D47 G51	D47-L49 VanDerWaalsContact C-N 3.26Å; D47-L49 PolarHBondContact O-N 3.16Å; L49-G51 PolarHBondContact O-N 2.92Å
50	P	33.5	Very low	46.9	Very low	137 Å²	137	137.4 Å²	137.4	89%	0.89	71%	0.714	S	S	*	*	S	Bend	trans	-72.3	104.6	-167.9	29.4	-31.8	0	0	0	109.3
51	G	33.4	Very low	44	Very low	71 Å²	71	137.3 Å²	137.3	73%	0.732	72%	0.724	S	S	*	*			trans	165.9	34.1	177.9	0	0	0	0	0	117.2	L49	L49-G51 PolarHBondContact O-N 2.92Å
52	R	29.2	Very low	41.8	Very low	245 Å²	245	142.2 Å²	142.2	93%	0.925	74%	0.737	S	S	*	*			trans	-154.1	101.9	161.9	-119.6	173.9	-163.8	-164.4	3	110.9	G54	R52-G54 PolarHBondContact O-N 2.98Å
53	A	36.1	Very low	39.2	Very low	102 Å²	102	142.4 Å²	142.4	84%	0.843	75%	0.749	S	S	*	*			trans	-60.6	106.3	165.2	0	0	0	0	0	107.9	F55	A53-F55 PolarHBondContact O-N 2.89Å
54	G	34.7	Very low	36.9	Very low	72 Å²	72	144.4 Å²	144.4	74%	0.742	76%	0.758	S	S	*	*			trans	-59.4	124.1	177	0	0	0	0	0	111	R52 K56	R52-G54 PolarHBondContact O-N 2.98Å; G54-K56 PolarHBondContact O-N 3.29Å
55	F	32.4	Very low	34.6	Very low	184 Å²	184	151.5 Å²	151.5	81%	0.807	78%	0.778	S	S	*	*			trans	-43.4	114.4	167.2	-83.9	-111.6	0	0	0	111.7	A53 E57	A53-F55 PolarHBondContact O-N 2.89Å; F55-E57 HydrophobicContact CD1-CG 4.48Å
56	K	34	Very low	32.9	Very low	187 Å²	187	148.3 Å²	148.3	81%	0.813	78%	0.78	S	S	*	*			trans	-107.8	99.6	150	-92.6	-176	175	177.3	0	107.1	G54 N58	G54-K56 PolarHBondContact O-N 3.29Å; K56-N58 VanDerWaalsContact C-N 3.27Å; K56-N58 PolarHBondContact O-N 2.83Å
57	E	30.6	Very low	32.1	Very low	170 Å²	170	151.7 Å²	151.7	79%	0.794	79%	0.793	S	S	*	*			trans	-67.1	89.4	166	-70.3	-173.4	159.4	0	0	108.5	F55	F55-E57 HydrophobicContact CD1-CG 4.48Å
58	N	30.8	Very low	31.1	Very low	126 Å²	126	156.9 Å²	156.9	67%	0.674	80%	0.802	S	S	*	*			trans	-81.6	122	160.1	-75.8	-15.4	0	0	0	107.1	K56 V60	K56-N58 VanDerWaalsContact C-N 3.27Å; K56-N58 PolarHBondContact O-N 2.83Å; N58-V60 PolarHBondContact O-N 3.22Å
59	P	31.6	Very low	30.9	Very low	115 Å²	115	151.8 Å²	151.8	75%	0.747	80%	0.8	S	S	*	*			trans	-63.6	110.5	172.6	25	-30.5	0	0	0	108.3	T61	P59-T61 PolarHBondContact O-N 3.13Å
60	V	29.9	Very low	30.3	Very low	110 Å²	110	150.8 Å²	150.8	67%	0.667	80%	0.8	S	S	*	*			trans	-66.2	100.2	176.4	179.5	0	0	0	0	108	N58 Y62	N58-V60 PolarHBondContact O-N 3.22Å; V60-Y62 HydrophobicContact CG1-CE2 4.45Å; V60-Y62 PolarHBondContact O-N 3.05Å
61	T	26.1	Very low	29.8	Very low	124 Å²	124	154.2 Å²	154.2	76%	0.761	80%	0.801	S	S	*	*			trans	-71.5	108.5	168.3	43.5	0	0	0	0	108.9	P59 T63	P59-T61 PolarHBondContact O-N 3.13Å; T61-T63 PolarHBondContact O-N 2.84Å
62	Y	38.2	Very low	29.5	Very low	189 Å²	189	155.5 Å²	155.5	74%	0.741	80%	0.799	S	S	*	*			trans	-69.2	115	170.2	-70.8	-86.8	0	0	0	109.5	V60 F64	V60-Y62 HydrophobicContact CG1-CE2 4.45Å; V60-Y62 PolarHBondContact O-N 3.05Å; Y62-F64 PolarHBondContact O-N 3.34Å
63	T	26.5	Very low	29.2	Very low	134 Å²	134	152.7 Å²	152.7	82%	0.822	80%	0.796	S	S	*	*			trans	-69.7	111	166.4	47	0	0	0	0	109	T61 R65	T61-T63 PolarHBondContact O-N 2.84Å; T63-R65 PolarHBondContact O-N 3.24Å
64	F	29.6	Very low	29	Very low	191 Å²	191	154 Å²	154	84%	0.838	79%	0.794	S	S	*	*			trans	-60	118.8	163	-96	-93.7	0	0	0	108.7	Y62 G66	Y62-F64 PolarHBondContact O-N 3.34Å; F64-G66 VanDerWaalsContact C-N 3.35Å; F64-G66 PolarHBondContact O-N 3.16Å
65	R	26.6	Very low	28.5	Very low	244 Å²	244	158.3 Å²	158.3	92%	0.921	80%	0.8	S	S	*	*			trans	-68	98.3	165.8	-174.6	-179.1	-96.3	-155.1	-3.4	106.9	T63	T63-R65 PolarHBondContact O-N 3.24Å
66	G	28.6	Very low	28.2	Very low	62 Å²	62	158.6 Å²	158.6	64%	0.639	80%	0.803	S	S	*	*			trans	-60.1	136.9	-176.7	0	0	0	0	0	112.8	F64 R68	F64-G66 VanDerWaalsContact C-N 3.35Å; F64-G66 PolarHBondContact O-N 3.16Å; G66-R68 PolarHBondContact O-N 2.95Å
67	F	28.6	Very low	27.8	Very low	210 Å²	210	154.9 Å²	154.9	92%	0.921	80%	0.801	S	S	*	*			trans	-64.2	124.6	157.4	-97.2	-96.7	0	0	0	108.5	S69	F67-S69 PolarHBondContact O-N 3.36Å; F67-S69 VanDerWaalsContact O-N 3.07Å
68	R	22.9	Very low	27.9	Very low	251 Å²	251	151.7 Å²	151.7	95%	0.947	80%	0.798	S	S	*	*			trans	-60.8	105.4	167.2	-87.4	177.2	170.1	175.3	-3.2	108.4	G66	G66-R68 PolarHBondContact O-N 2.95Å
69	S	28.4	Very low	27.9	Very low	116 Å²	116	153.8 Å²	153.8	81%	0.811	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.2	128.2	157	178.6	0	0	0	0	107.7	F67	F67-S69 PolarHBondContact O-N 3.36Å; F67-S69 VanDerWaalsContact O-N 3.07Å
70	T	24.3	Very low	27.8	Very low	126 Å²	126	159 Å²	159	77%	0.773	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-59.3	136.9	-179.2	38.1	0	0	0	0	111.1	S72	T70-S72 PolarHBondContact O-N 3.49Å; T70-S72 VanDerWaalsContact O-N 3.15Å
71	K	23.2	Very low	27.8	Very low	210 Å²	210	160.4 Å²	160.4	91%	0.913	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-51.6	117.6	170.9	-75.1	177.3	171.2	-177	0	109.6
72	S	26.7	Very low	28.1	Very low	97 Å²	97	161.5 Å²	161.5	68%	0.678	82%	0.816	S	S	*	*			trans	-124.8	103.7	153.2	174.2	0	0	0	0	106.6	T70 T74	T70-S72 PolarHBondContact O-N 3.49Å; T70-S72 VanDerWaalsContact O-N 3.15Å; S72-T74 PolarHBondContact O-N 3.36Å
73	E	24.1	Very low	27.5	Very low	186 Å²	186	163.8 Å²	163.8	87%	0.869	82%	0.824	S	S	*	*			trans	-65.4	113.1	163.3	-74.4	171.9	152	0	0	108.2
74	T	30.2	Very low	27.7	Very low	129 Å²	129	166.3 Å²	166.3	79%	0.791	82%	0.823	S	S	*	*			trans	-146.8	129.5	157.6	22.7	0	0	0	0	110.6	S72	S72-T74 PolarHBondContact O-N 3.36Å
75	N	24.9	Very low	27.6	Very low	163 Å²	163	166.5 Å²	166.5	87%	0.872	83%	0.827	S	S	*	*			trans	-63.8	150.6	-167.7	-79	-43.9	0	0	0	114.9	S77	N75-S77 PolarHBondContact O-N 3.48Å
76	H	25.5	Very low	27.6	Very low	190 Å²	190	161 Å²	161	88%	0.88	82%	0.821	S	S	*	*	S	Bend	trans	-49.5	111.7	165.4	-78.4	-91.3	0	0	0	113.1
77	S	27.1	Very low	27.5	Very low	109 Å²	109	163.8 Å²	163.8	76%	0.762	83%	0.825	S	S	*	*			trans	171.4	103.1	133.9	56.7	0	0	0	0	110.9	N75	N75-S77 PolarHBondContact O-N 3.48Å
78	S	32	Very low	27.5	Very low	104 Å²	104	159.8 Å²	159.8	73%	0.727	82%	0.82	S	S	*	*			trans	159.5	59	148	54.7	0	0	0	0	113.3	R80	S78-R80 PolarHBondContact O-N 3.3Å
79	L	30.2	Very low	27.6	Very low	170 Å²	170	156.5 Å²	156.5	89%	0.89	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	37.1	166.6	-76.6	172.9	0	0	0	113.1
80	R	29.8	Very low	27.3	Very low	223 Å²	223	158 Å²	158	84%	0.842	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-3.6	-179.9	-99.7	-170.7	-171.5	-176.3	3.4	116.6	S78	S78-R80 PolarHBondContact O-N 3.3Å
81	N	31.1	Very low	27.4	Very low	141 Å²	141	160.3 Å²	160.3	75%	0.754	83%	0.827	S	S	*	*	S	Bend	trans	-119.8	14	-172.4	-69.9	-14.3	0	0	0	116.6
82	I	31.8	Very low	27.3	Very low	147 Å²	147	161.6 Å²	161.6	75%	0.754	83%	0.826	S	S	*	*	S	Bend	trans	-90.1	0.9	176.6	-63.1	168	0	0	0	112.8
83	W	26.1	Very low	27.3	Very low	237 Å²	237	162.8 Å²	162.8	90%	0.898	83%	0.831	S	S	*	*			trans	-102.2	68.7	174.4	-60.3	97.9	0	0	0	111.7
84	K	29.6	Very low	27.3	Very low	186 Å²	186	163.2 Å²	163.2	81%	0.809	83%	0.833	S	S	*	*			trans	-138.5	112	155.3	-78.7	-166.4	177.7	-179.8	0	109.5	T86	K84-T86 PolarHBondContact O-N 3.34Å
85	E	28.5	Very low	26.9	Very low	195 Å²	195	163.7 Å²	163.7	91%	0.911	84%	0.836	S	S	*	*			trans	-47.3	119.3	167.5	-67.3	171	155.4	0	0	109.3
86	T	26.1	Very low	26.8	Very low	129 Å²	129	160 Å²	160	79%	0.791	83%	0.829	S	S	*	*			trans	-115.9	106.3	165.5	-47.9	0	0	0	0	106.6	K84	K84-T86 PolarHBondContact O-N 3.34Å
87	V	26.1	Very low	26.7	Very low	121 Å²	121	158.1 Å²	158.1	73%	0.733	83%	0.83	S	S	*	*			trans	-60.9	130.3	172.3	176.5	0	0	0	0	108.4	Q89	V87-Q89 PolarHBondContact O-N 2.83Å; V87-Q89 VanDerWaalsContact O-N 3.14Å
88	P	28.9	Very low	26.4	Very low	126 Å²	126	160.4 Å²	160.4	82%	0.818	83%	0.834	S	S	*	*			trans	-70.7	110.8	-179.6	-15.2	29.2	0	0	0	110.9
89	Q	25.5	Very low	26.2	Very low	181 Å²	181	161.1 Å²	161.1	85%	0.846	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-82	135.3	160.8	-80.7	-177.4	-14.1	0	0	109.9	V87	V87-Q89 PolarHBondContact O-N 2.83Å; V87-Q89 VanDerWaalsContact O-N 3.14Å
90	T	22	Very low	25.9	Very low	148 Å²	148	160.2 Å²	160.2	91%	0.908	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-53.6	120.1	177.5	24.2	0	0	0	0	113.4
91	L	26.5	Very low	25.8	Very low	174 Å²	174	156.8 Å²	156.8	91%	0.911	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-96.7	118.4	166.8	-88.8	152.8	0	0	0	110.1
92	R	21.5	Very low	25.5	Very low	237 Å²	237	156 Å²	156	89%	0.894	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-74.4	158.9	166.6	-95	-177	176.5	-179.3	-0.7	111
93	P	26.5	Very low	25.2	Very low	123 Å²	123	157 Å²	157	80%	0.799	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-89.2	140.9	-157.9	6.9	11.2	0	0	0	113.2
94	Q	24.2	Very low	25.2	Very low	195 Å²	195	154 Å²	154	91%	0.911	84%	0.842	S	S	*	*			trans	-109.1	138.5	162	-74	-173.8	0.1	0	0	110.7
95	T	21.8	Very low	25.1	Very low	139 Å²	139	149.7 Å²	149.7	85%	0.853	84%	0.835	S	S	*	*			trans	-80.8	138.9	-170.2	-2.1	0	0	0	0	112.5
96	A	21.8	Very low	25.4	Very low	86 Å²	86	146 Å²	146	71%	0.711	83%	0.828	S	S	*	*			trans	39.5	116	146.9	0	0	0	0	0	120.5
97	T	24.1	Very low	25.6	Very low	149 Å²	149	149.3 Å²	149.3	91%	0.914	83%	0.834	S	S	*	*				-158	134.6	122.2	2.1	0	0	0	0	111.5
98	N	21	Very low	25.9	Very low	157 Å²	157	146 Å²	146	84%	0.84	83%	0.825	S	S	*	*			trans	-64.1	140.3	-179	-68.2	-30.5	0	0	0	112.4
99	S	27.7	Very low	26.5	Very low	120 Å²	120	144.5 Å²	144.5	84%	0.839	81%	0.813	S	S	*	*			trans	-162.1	124.1	135.6	-82.3	0	0	0	0	110.1
100	N	23.4	Very low	27	Very low	150 Å²	150	143 Å²	143	80%	0.802	82%	0.816	S	S	*	*			trans	-47.4	131.9	175.1	-58.8	-30.9	0	0	0	112.1
101	N	26.5	Very low	27.8	Very low	151 Å²	151	137 Å²	137	81%	0.807	78%	0.784	S	S	*	*				-175.4	117.3	129.3	-91.6	-25.4	0	0	0	112
102	T	25.7	Very low	28.6	Very low	124 Å²	124	130 Å²	130	76%	0.761	75%	0.748	S	S	*	*			trans	53.1	93.7	150.8	26.3	0	0	0	0	118.5	L104	T102-L104 PolarHBondContact O-N 3.48Å; T102-L104 VanDerWaalsContact O-N 3.08Å
103	D	25.8	Very low	29.6	Very low	168 Å²	168	124.4 Å²	124.4	90%	0.898	73%	0.731	S	S	*	*			trans	-52.5	104.8	159.7	-73.1	-44.8	0	0	0	111.8	S105	D103-S105 VanDerWaalsContact C-N 3.31Å; D103-S105 PolarHBondContact O-N 3.37Å
104	L	25.9	Very low	30.4	Very low	176 Å²	176	124.4 Å²	124.4	92%	0.921	73%	0.725	S	S	*	*			trans	-87.7	77.4	155.2	-93.3	131.5	0	0	0	107.9	T102	T102-L104 PolarHBondContact O-N 3.48Å; T102-L104 VanDerWaalsContact O-N 3.08Å
105	S	27.8	Very low	31.5	Very low	95 Å²	95	116.9 Å²	116.9	66%	0.664	69%	0.692	S	S	*	*			trans	-72.4	135.3	166.6	-154.9	0	0	0	0	108.8	D103 Q107	D103-S105 VanDerWaalsContact C-N 3.31Å; D103-S105 PolarHBondContact O-N 3.37Å; S105-Q107 PolarHBondContact O-N 3.41Å; S105-Q107 VanDerWaalsContact O-N 3.11Å
106	P	35.4	Very low	32.6	Very low	118 Å²	118	112.9 Å²	112.9	77%	0.766	67%	0.665	S	S	*	*			trans	-61.4	119.9	178.5	-13.5	26.2	0	0	0	108.4	G108	P106-G108 PolarHBondContact O-N 2.91Å
107	Q	29.9	Very low	33.6	Very low	198 Å²	198	112.4 Å²	112.4	93%	0.925	66%	0.657	S	S	*	*			trans	-59.6	88.3	171.9	-74.9	178	-23.4	0	0	109.1	S105	S105-Q107 PolarHBondContact O-N 3.41Å; S105-Q107 VanDerWaalsContact O-N 3.11Å
108	G	32.5	Very low	34.4	Very low	51 Å²	51	107.6 Å²	107.6	53%	0.526	63%	0.632	S	S	.	*			trans	-55.9	145.2	157.1	0	0	0	0	0	107.9	P106 T110	P106-G108 PolarHBondContact O-N 2.91Å; G108-T110 PolarHBondContact O-N 2.92Å
109	V	40.2	Very low	35.2	Very low	95 Å²	95	103 Å²	103	58%	0.576	61%	0.607	S	S	*	*			trans	-64	87.9	-179.3	-177.7	0	0	0	0	108.8	G111 L112	V109-G111 PolarHBondContact O-N 2.86Å; V109-L112 PolarHBondContact O-N 3.32Å
110	T	36.6	Very low	35.4	Very low	148 Å²	148	100 Å²	100	91%	0.908	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	86.1	171.8	44.8	0	0	0	0	107.6	G108	G108-T110 PolarHBondContact O-N 2.92Å
111	G	38.4	Very low	35.8	Very low	23 Å²	23	96.8 Å²	96.8	24%	0.237	59%	0.585	C	S	.	*	T	Hydrogen-bonded Turn	trans	162.3	-26.7	-174.7	0	0	0	0	0	113.3	V109 N114 T115	V109-G111 PolarHBondContact O-N 2.86Å; G111-N114 PolarHBondContact O-N 3Å; G111-T115 VanDerWaalsContact O-CB 3.24Å; G111-T115 WeakPolarHBondContact O-CB 3.26Å; G111-T115 PolarHBondContact O-N 2.62Å; G111-T115 PolarHBondContact O-OG1 2.82Å
112	L	43.1	Very low	35.9	Very low	28 Å²	28	95.4 Å²	95.4	15%	0.147	58%	0.576	C	S	.	*	H	α-helix	trans	-69	-41.6	-178.7	-169.3	66.2	0	0	0	111.9	V109 L116 A349	V109-L112 PolarHBondContact O-N 3.32Å; L112-L116 HydrophobicContact CD1-CD1 3.82Å; L112-L116 HydrophobicContact CD1-CG 4.1Å; L112-L116 HydrophobicContact CD2-CD1 4.43Å; L112-L116 HydrophobicContact CG-CD1 3.75Å; L112-L116 HydrophobicContact CG-CG 4.35Å; L112-L116 VanDerWaalsContact O-CB 3.29Å; L112-L116 WeakPolarHBondContact O-CB 3.42Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.28Å; L112-L116 PolarHBondContact O-N 2.95Å; L112-A349 HydrophobicContact CD2-CB 3.93Å
113	E	44	Very low	36.3	Very low	118 Å²	118	96.6 Å²	96.6	55%	0.551	57%	0.568	S	S	*	*	H	α-helix	trans	-65.3	-43.9	175.9	-70.6	-174.8	160.1	0	0	111.4	S117 R352	E113-S117 WeakPolarHBondContact O-CB 3.44Å; E113-S117 PolarHBondContact O-N 2.05Å; E113-S117 PolarHBondContact O-OG 3.19Å; E113-R352 IonicContact OE1-CZ 3.31Å; E113-R352 IonicContact OE1-NH2 2.68Å; E113-R352 PolarHBondContact OE1-NH2 2.79Å
114	N	42.5	Very low	36.4	Very low	123 Å²	123	95.7 Å²	95.7	66%	0.658	56%	0.563	S	S	*	*	H	α-helix	trans	-68	-38.1	178.3	-71.2	-5.7	0	0	0	112.1	G111 A118	G111-N114 PolarHBondContact O-N 3Å; N114-A118 WeakPolarHBondContact O-CB 3.36Å; N114-A118 PolarHBondContact O-N 3.25Å
115	T	47.3	Very low	36.8	Very low	38 Å²	38	95.6 Å²	95.6	23%	0.233	56%	0.558	C	S	.	*	H	α-helix	trans	-73.7	-41.8	-179.6	-48.9	0	0	0	0	111.7	G111 N119 P304	G111-T115 VanDerWaalsContact O-CB 3.24Å; G111-T115 WeakPolarHBondContact O-CB 3.26Å; G111-T115 PolarHBondContact O-N 2.62Å; G111-T115 PolarHBondContact O-OG1 2.82Å; T115-N119 WeakPolarHBondContact O-CB 3.48Å; T115-N119 PolarHBondContact O-N 3.41Å; T115-N119 VanDerWaalsContact O-N 3.14Å; T115-N119 PolarHBondContact O-ND2 2.96Å; T115-P304 HydrophobicContact CG2-CG 3.6Å
116	L	45.2	Very low	36.8	Very low	55 Å²	55	101.1 Å²	101.1	29%	0.288	57%	0.57	S	S	.	*	H	α-helix	trans	-73.4	-30.1	178.2	-67.5	174.7	0	0	0	112.2	L112	L112-L116 HydrophobicContact CD1-CD1 3.82Å; L112-L116 HydrophobicContact CD1-CG 4.1Å; L112-L116 HydrophobicContact CD2-CD1 4.43Å; L112-L116 HydrophobicContact CG-CD1 3.75Å; L112-L116 HydrophobicContact CG-CG 4.35Å; L112-L116 VanDerWaalsContact O-CB 3.29Å; L112-L116 WeakPolarHBondContact O-CB 3.42Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.28Å; L112-L116 PolarHBondContact O-N 2.95Å
117	S	43.5	Very low	36.6	Very low	76 Å²	76	98.6 Å²	98.6	53%	0.531	57%	0.566	S	S	.	*	H	α-helix	trans	-83.2	-38.2	177.1	-49.5	0	0	0	0	112.6	E113 N119 G120	E113-S117 WeakPolarHBondContact O-CB 3.44Å; E113-S117 PolarHBondContact O-N 2.05Å; E113-S117 PolarHBondContact O-OG 3.19Å; S117-N119 VanDerWaalsContact C-N 3.3Å; S117-N119 PolarHBondContact O-N 3.09Å; S117-G120 WeakPolarHBondContact O-CA 3.42Å; S117-G120 PolarHBondContact O-N 3.4Å
118	A	39.6	Very low	36.7	Very low	47 Å²	47	96.1 Å²	96.1	39%	0.388	56%	0.564	S	S	.	*	H	α-helix	trans	-68.3	-29.1	174.8	0	0	0	0	0	112.4	N114 G120 S121	N114-A118 WeakPolarHBondContact O-CB 3.36Å; N114-A118 PolarHBondContact O-N 3.25Å; A118-G120 PolarHBondContact O-N 3.41Å; A118-S121 PolarHBondContact O-N 2.9Å; A118-S121 PolarHBondContact O-OG 3.07Å; A118-S121 VanDerWaalsContact O-OG 3.08Å
119	N	37.7	Very low	36.9	Very low	60 Å²	60	97.3 Å²	97.3	32%	0.321	58%	0.577	S	S	.	*	H	α-helix	trans	-70	-15.8	170	-73.9	-8	0	0	0	112.6	T115 S117 S121 Y123	T115-N119 WeakPolarHBondContact O-CB 3.48Å; T115-N119 PolarHBondContact O-N 3.41Å; T115-N119 VanDerWaalsContact O-N 3.14Å; T115-N119 PolarHBondContact O-ND2 2.96Å; S117-N119 VanDerWaalsContact C-N 3.3Å; S117-N119 PolarHBondContact O-N 3.09Å; N119-S121 VanDerWaalsContact C-N 3.31Å; N119-Y123 VanDerWaalsContact O-CD2 3.31Å; N119-Y123 WeakPolarHBondContact O-CD2 3.38Å
120	G	31.8	Very low	36.6	Very low	57 Å²	57	100 Å²	100	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-68.8	-26	172.2	0	0	0	0	0	113.8	S117 A118	S117-G120 WeakPolarHBondContact O-CA 3.42Å; S117-G120 PolarHBondContact O-N 3.4Å; A118-G120 PolarHBondContact O-N 3.41Å
121	S	31.9	Very low	37.1	Very low	83 Å²	83	97.8 Å²	97.8	58%	0.58	57%	0.571	S	S	*	*	H	α-helix	trans	-96.4	-23.2	-178.3	63.2	0	0	0	0	114.4	A118 N119 Y123	A118-S121 PolarHBondContact O-N 2.9Å; A118-S121 PolarHBondContact O-OG 3.07Å; A118-S121 VanDerWaalsContact O-OG 3.08Å; N119-S121 VanDerWaalsContact C-N 3.31Å; S121-Y123 PolarHBondContact O-N 2.95Å
122	I	29.4	Very low	37.7	Very low	122 Å²	122	101 Å²	101	63%	0.626	58%	0.583	S	S	*	*	H	α-helix	trans	-75.2	-12.8	179.2	-63.8	173.4	0	0	0	112.2	N124	I122-N124 PolarHBondContact O-N 3.38Å
123	Y	35.1	Very low	38.2	Very low	149 Å²	149	102.6 Å²	102.6	58%	0.584	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	38.2	175.5	-79.4	-74.8	0	0	0	114.6	N119 S121 R335	N119-Y123 VanDerWaalsContact O-CD2 3.31Å; N119-Y123 WeakPolarHBondContact O-CD2 3.38Å; S121-Y123 PolarHBondContact O-N 2.95Å; Y123-R335 PolarHBondContact OH-NH1 3.4Å
124	N	27.5	Very low	39.3	Very low	150 Å²	150	99.2 Å²	99.2	80%	0.802	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	1.1	168.2	-84.2	-13.9	0	0	0	115	I122	I122-N124 PolarHBondContact O-N 3.38Å
125	E	33.1	Very low	41	Very low	174 Å²	174	99.5 Å²	99.5	81%	0.813	58%	0.576	S	S	*	*	S	Bend	trans	-126.2	113.9	174.2	-98.7	-177.2	156.3	0	0	111.8
126	K	28.6	Very low	43	Very low	210 Å²	210	100.8 Å²	100.8	91%	0.913	58%	0.578	S	S	*	*	S	Bend	trans	82.8	92.6	170.9	-54.7	-179.5	-177.2	177	0	116.4
127	G	31	Very low	45.4	Very low	66 Å²	66	105.1 Å²	105.1	68%	0.68	59%	0.594	S	S	*	*	S	Bend	trans	121.9	94.6	158.1	0	0	0	0	0	112.5	G129	G127-G129 PolarHBondContact O-N 2.88Å; G127-G129 VanDerWaalsContact O-N 3.12Å
128	T	32.6	Very low	47.9	Very low	145 Å²	145	103.6 Å²	103.6	89%	0.89	58%	0.577	S	S	*	*			trans	14.2	85.6	160.9	54.1	0	0	0	0	115	H130	T128-H130 VanDerWaalsContact C-N 3.25Å; T128-H130 PolarHBondContact O-N 3.07Å
129	G	36.8	Very low	50.7	Low	77 Å²	77	104.6 Å²	104.6	79%	0.794	58%	0.576	S	S	*	*			trans	-66.5	84.2	171.5	0	0	0	0	0	110.2	G127 P131	G127-G129 PolarHBondContact O-N 2.88Å; G127-G129 VanDerWaalsContact O-N 3.12Å; G129-P131 WeakPolarHBondContact O-CD 3.48Å
130	H	34.2	Very low	53.6	Low	150 Å²	150	102.3 Å²	102.3	69%	0.694	56%	0.563	S	S	*	*			trans	-78.7	121.4	157.7	-133.1	3.8	0	0	0	106.1	T128 N132	T128-H130 VanDerWaalsContact C-N 3.25Å; T128-H130 PolarHBondContact O-N 3.07Å; H130-N132 PolarHBondContact O-N 2.83Å
131	P	45.6	Very low	56.6	Low	103 Å²	103	101.3 Å²	101.3	67%	0.669	54%	0.544	S	S	*	.			trans	-47.7	137.9	164.4	-19.9	30.2	0	0	0	107.3	G129 S133	G129-P131 WeakPolarHBondContact O-CD 3.48Å; P131-S133 WeakPolarHBondContact O-CB 3.43Å; P131-S133 PolarHBondContact O-N 2.56Å
132	N	51.4	Low	59.7	Low	91 Å²	91	98.6 Å²	98.6	49%	0.487	52%	0.523	S	S	.	.			trans	-55.9	81.8	178.6	-87.5	-31.5	0	0	0	109.8	H130 Y134	H130-N132 PolarHBondContact O-N 2.83Å; N132-Y134 PolarHBondContact O-N 3.29Å
133	S	53.6	Low	62.8	Low	60 Å²	60	95 Å²	95	42%	0.42	51%	0.507	S	S	.	.			trans	-86.8	116.3	-173.6	-176.8	0	0	0	0	106.4	P131 H135	P131-S133 WeakPolarHBondContact O-CB 3.43Å; P131-S133 PolarHBondContact O-N 2.56Å; S133-H135 VanDerWaalsContact C-N 3.3Å; S133-H135 WeakPolarHBondContact CB-CD2 3.47Å; S133-H135 WeakPolarHBondContact CB-NE2 3.09Å; S133-H135 PolarHBondContact O-CD2 3.45Å; S133-H135 VanDerWaalsContact O-CD2 3.31Å; S133-H135 PolarHBondContact O-N 2.9Å; S133-H135 PolarHBondContact OG-CD2 3.02Å; S133-H135 PolarHBondContact OG-CE1 3.44Å; S133-H135 PolarHBondContact OG-NE2 2.86Å
134	Y	67.2	Low	65.6	Low	48 Å²	48	94.4 Å²	94.4	19%	0.188	51%	0.51	C	S	.	.			trans	-67.7	90.2	179.4	-172.5	-89.8	0	0	0	108.5	N132 F136 Q218 L232 M233 F328	N132-Y134 PolarHBondContact O-N 3.29Å; Y134-F136 HydrophobicContact CD2-CD2 4.5Å; Y134-F136 HydrophobicContact CE2-CD2 4.2Å; Y134-Q218 PolarHBondContact OH-OE1 2.87Å; Y134-L232 HydrophobicContact CE2-CB 4.1Å; Y134-M233 WeakPolarHBondContact OH-CA 3.48Å; Y134-M233 VanDerWaalsContact OH-CB 3.29Å; Y134-M233 WeakPolarHBondContact OH-CB 3.3Å; Y134-M233 PolarHBondContact OH-N 3.25Å; Y134-F328 HydrophobicContact CD1-CE2 4.15Å; Y134-F328 AromaticContact CD1-CZ 3.96Å; Y134-F328 HydrophobicContact CD1-CZ 3.96Å; Y134-F328 AromaticContact CD2-CE2 3.9Å; Y134-F328 HydrophobicContact CD2-CE2 3.9Å; Y134-F328 HydrophobicContact CD2-CZ 4.34Å; Y134-F328 HydrophobicContact CE1-CE2 4.33Å; Y134-F328 HydrophobicContact CE1-CZ 4.45Å; Y134-F328 HydrophobicContact CE2-CE2 4.06Å; Y134-F328 AromaticContact CG-CE2 3.95Å; Y134-F328 HydrophobicContact CG-CE2 3.95Å; Y134-F328 AromaticContact CG-CZ 3.92Å; Y134-F328 HydrophobicContact CG-CZ 3.92Å
135	H	78.3	Confident	68.7	Low	129 Å²	129	88.8 Å²	88.8	60%	0.597	48%	0.478	S	S	*	.			trans	-110.7	34.8	-170	-76	-61	0	0	0	113.5	S133	S133-H135 VanDerWaalsContact C-N 3.3Å; S133-H135 WeakPolarHBondContact CB-CD2 3.47Å; S133-H135 WeakPolarHBondContact CB-NE2 3.09Å; S133-H135 PolarHBondContact O-CD2 3.45Å; S133-H135 VanDerWaalsContact O-CD2 3.31Å; S133-H135 PolarHBondContact O-N 2.9Å; S133-H135 PolarHBondContact OG-CD2 3.02Å; S133-H135 PolarHBondContact OG-CE1 3.44Å; S133-H135 PolarHBondContact OG-NE2 2.86Å
136	F	90.1	Very high	71.5	Confident	65 Å²	65	81.5 Å²	81.5	29%	0.285	45%	0.446	S	S	.	.			trans	-91.7	114.4	174.8	-62	-68.8	0	0	0	110.4	Y134 Q218 Y220 I229	Y134-F136 HydrophobicContact CD2-CD2 4.5Å; Y134-F136 HydrophobicContact CE2-CD2 4.2Å; F136-Q218 HydrophobicContact CB-CB 4.07Å; F136-Q218 HydrophobicContact CB-CG 4.33Å; F136-Q218 PolarHBondContact O-NE2 3.12Å; F136-Q218 VanDerWaalsContact O-NE2 3.09Å; F136-Y220 HydrophobicContact CB-CD1 4.42Å; F136-Y220 HydrophobicContact CD1-CD1 4.14Å; F136-Y220 HydrophobicContact CD1-CG 4.46Å; F136-Y220 HydrophobicContact CD2-CD1 4.5Å; F136-Y220 HydrophobicContact CG-CD1 4.09Å; F136-I229 HydrophobicContact CD2-CG2 3.59Å; F136-I229 HydrophobicContact CE2-CB 4.49Å; F136-I229 HydrophobicContact CE2-CD1 3.97Å; F136-I229 HydrophobicContact CE2-CG1 4.26Å; F136-I229 HydrophobicContact CE2-CG2 3.44Å; F136-I229 VanDerWaalsContact CE2-CG2 3.44Å; F136-I229 HydrophobicContact CG-CG2 4.37Å; F136-I229 HydrophobicContact CZ-CD1 3.86Å; F136-I229 HydrophobicContact CZ-CG2 4.11Å
137	K	94.2	Very high	74.4	Confident	145 Å²	145	78.2 Å²	78.2	63%	0.63	43%	0.434	S	S	*	.			trans	-72	143.7	174.3	-170.3	-179.3	172.5	-180	0	110.8	Q218 E219	K137-Q218 VanDerWaalsContact O-CA 3.31Å; K137-Q218 WeakPolarHBondContact O-CA 3.48Å; K137-E219 VanDerWaalsContact CB-CD 3.47Å; K137-E219 HydrophobicContact CB-CG 4.14Å; K137-E219 WeakPolarHBondContact CB-OE1 3.21Å; K137-E219 PolarHBondContact N-OE1 2.71Å; K137-E219 PolarHBondContact O-N 2.79Å; K137-E219 VanDerWaalsContact O-N 3.14Å
138	Y	97.3	Very high	76.7	Confident	44 Å²	44	83.9 Å²	83.9	17%	0.173	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.5	169.4	-72.2	-79.9	0	0	0	111.3	I140 N141 I216 Q217 Q218 M233	Y138-I140 WeakPolarHBondContact CD1-O 3.34Å; Y138-N141 HydrophobicContact CD1-CB 4.17Å; Y138-N141 HydrophobicContact CD2-CB 4.41Å; Y138-N141 WeakPolarHBondContact CD2-OD1 3.38Å; Y138-N141 WeakPolarHBondContact CE2-OD1 3.49Å; Y138-N141 HydrophobicContact CG-CB 3.88Å; Y138-I216 HydrophobicContact CE1-CB 4.44Å; Y138-I216 HydrophobicContact CE1-CD1 4.49Å; Y138-Q217 CarbonylContact C-O 3.58Å; Y138-Q217 WeakPolarHBondContact CA-O 2.91Å; Y138-Q218 HydrophobicContact CD1-CG 3.48Å; Y138-Q218 VanDerWaalsContact CD1-CG 3.48Å; Y138-Q218 HydrophobicContact CE1-CG 3.67Å; Y138-Q218 HydrophobicContact CG-CG 3.96Å; Y138-Q218 VanDerWaalsContact CZ-NE2 3.28Å; Y138-M233 HydrophobicContact CE1-CG 3.89Å; Y138-M233 HydrophobicContact CE1-SD 4.33Å
139	I	97.3	Very high	79.1	Confident	69 Å²	69	81 Å²	81	35%	0.354	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-37	164.5	-58.5	166.2	0	0	0	108.9	L193 Q217 E219	I139-L193 HydrophobicContact CD1-CD2 3.52Å; I139-L193 HydrophobicContact CD1-CG 4.18Å; I139-Q217 HydrophobicContact CB-CB 4.42Å; I139-Q217 HydrophobicContact CB-CG 4.45Å; I139-Q217 HydrophobicContact CD1-CG 4.32Å; I139-Q217 PolarHBondContact N-O 3.1Å; I139-E219 HydrophobicContact CD1-CB 4.16Å; I139-E219 HydrophobicContact CG1-CB 4.4Å
140	I	98.3	Very high	81.6	Confident	11 Å²	11	82.3 Å²	82.3	6%	0.056	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.1	177.3	-50.8	175	0	0	0	107.5	Y138 I205 L206 S209 I215 I216 Q217	Y138-I140 WeakPolarHBondContact CD1-O 3.34Å; I140-I205 HydrophobicContact CD1-CG2 3.82Å; I140-L206 HydrophobicContact CD1-CD2 3.97Å; I140-L206 HydrophobicContact CG1-CD2 3.97Å; I140-S209 WeakPolarHBondContact CG2-OG 3.26Å; I140-I215 HydrophobicContact CD1-CG2 4.14Å; I140-I215 WeakPolarHBondContact CG2-O 3.23Å; I140-I216 WeakPolarHBondContact O-CA 3.47Å; I140-Q217 HydrophobicContact CB-CB 4.03Å; I140-Q217 HydrophobicContact CD1-CB 4.16Å; I140-Q217 HydrophobicContact CG1-CB 4.1Å; I140-Q217 PolarHBondContact N-O 2.68Å; I140-Q217 PolarHBondContact O-N 3.18Å
141	N	95	Very high	84.5	Confident	37 Å²	37	75.7 Å²	75.7	20%	0.198	39%	0.385	C	S	.	.			trans	-135.1	-16.4	-166.4	-162.5	19.4	0	0	0	116.3	Y138 P143 W237 Y241	Y138-N141 HydrophobicContact CD1-CB 4.17Å; Y138-N141 HydrophobicContact CD2-CB 4.41Å; Y138-N141 WeakPolarHBondContact CD2-OD1 3.38Å; Y138-N141 WeakPolarHBondContact CE2-OD1 3.49Å; Y138-N141 HydrophobicContact CG-CB 3.88Å; N141-P143 VanDerWaalsContact C-CD 3.48Å; N141-P143 VanDerWaalsContact O-N 3.08Å; N141-W237 PolarHBondContact O-NE1 2.8Å; N141-Y241 PolarHBondContact ND2-OH 2.93Å; N141-Y241 VanDerWaalsContact OD1-CE2 3.31Å; N141-Y241 WeakPolarHBondContact OD1-CE2 3.33Å
142	E	96.5	Very high	87	Confident	26 Å²	26	72 Å²	72	12%	0.121	36%	0.359	C	S	.	.			trans	39.9	48.4	177	-51.3	-62.8	169.7	0	0	116.4	E144 K145 S209 H213 I215 I216 W237	E142-E144 PolarHBondContact O-N 3.03Å; E142-E144 VanDerWaalsContact O-N 3.08Å; E142-K145 WeakPolarHBondContact O-CB 3.37Å; E142-K145 PolarHBondContact O-N 3Å; E142-S209 PolarHBondContact OE1-OG 2.7Å; E142-H213 WeakPolarHBondContact OE1-CA 3.47Å; E142-H213 IonicContact OE1-ND1 2.77Å; E142-H213 WeakPolarHBondContact OE2-CB 3.48Å; E142-H213 IonicContact OE2-CG 3.86Å; E142-H213 IonicContact OE2-ND1 3.48Å; E142-H213 PolarHBondContact OE2-ND1 3.41Å; E142-H213 VanDerWaalsContact OE2-ND1 3.12Å; E142-I215 VanDerWaalsContact CG-O 3.28Å; E142-I215 WeakPolarHBondContact CG-O 3.29Å; E142-I216 HydrophobicContact CB-CG2 4.34Å; E142-I216 HydrophobicContact CG-CG2 4.3Å; E142-W237 HydrophobicContact CB-CZ2 4.39Å; E142-W237 WeakPolarHBondContact O-CZ2 3.4Å
143	P	95.9	Very high	89.2	Confident	47 Å²	47	67.7 Å²	67.7	31%	0.305	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.2	-168.4	29.3	-37.3	0	0	0	114.9	N141 Q147 Y241	N141-P143 VanDerWaalsContact C-CD 3.48Å; N141-P143 VanDerWaalsContact O-N 3.08Å; P143-Q147 PolarHBondContact O-NE2 3.46Å; P143-Y241 HydrophobicContact CB-CD1 3.78Å; P143-Y241 HydrophobicContact CB-CE1 3.46Å; P143-Y241 VanDerWaalsContact CB-CE1 3.46Å; P143-Y241 HydrophobicContact CB-CG 4.5Å
144	E	94.2	Very high	91.4	Very high	135 Å²	135	64.9 Å²	64.9	63%	0.631	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-6.5	-175.4	-67.7	165.4	-169.8	0	0	112.8	E142 C146 Q147	E142-E144 PolarHBondContact O-N 3.03Å; E142-E144 VanDerWaalsContact O-N 3.08Å; E144-C146 PolarHBondContact O-N 3.21Å; E144-Q147 PolarHBondContact O-N 3.21Å
145	K	92.2	Very high	92.9	Very high	33 Å²	33	62.6 Å²	62.6	14%	0.143	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.4	-169.8	-165.8	74.5	173.1	-170.7	0	114.7	E142 E177 T186 I188 H213 W237	E142-K145 WeakPolarHBondContact O-CB 3.37Å; E142-K145 PolarHBondContact O-N 3Å; K145-E177 IonicContact NZ-OE1 3.44Å; K145-T186 HydrophobicContact CD-CG2 4.4Å; K145-T186 HydrophobicContact CG-CG2 3.63Å; K145-I188 HydrophobicContact CG-CD1 4.22Å; K145-H213 WeakPolarHBondContact CD-O 2.96Å; K145-H213 WeakPolarHBondContact CE-O 3.48Å; K145-H213 PolarHBondContact NZ-O 3Å; K145-W237 HydrophobicContact CB-CH2 3.95Å; K145-W237 HydrophobicContact CB-CZ2 3.98Å; K145-W237 HydrophobicContact CG-CH2 4.25Å
146	C	92.4	Very high	93.9	Very high	21 Å²	21	56.5 Å²	56.5	14%	0.142	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	8	-180	-71	0	0	0	0	113.5	E144 K149 Y241 C242	E144-C146 PolarHBondContact O-N 3.21Å; C146-K149 CarbonylContact C-O 3.6Å; C146-Y241 VanDerWaalsContact CB-O 3.24Å; C146-Y241 WeakPolarHBondContact CB-O 3.44Å; C146-C242 HydrophobicContact CB-CB 3.79Å; C146-C242 WeakPolarHBondContact CB-SG 3.41Å; C146-C242 WeakPolarHBondContact SG-CB 3.46Å; C146-C242 CovalentContact SG-SG 2.04Å; C146-C242 PolarHBondContact SG-SG 3.02Å
147	Q	88.2	Confident	94.3	Very high	141 Å²	141	53.4 Å²	53.4	66%	0.659	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-44.1	178.6	-65.1	-178.9	19.2	0	0	111.3	P143 E144	P143-Q147 PolarHBondContact O-NE2 3.46Å; E144-Q147 PolarHBondContact O-N 3.21Å
148	E	80.5	Confident	94.5	Very high	185 Å²	185	47 Å²	47	86%	0.864	24%	0.239	S	C	*	.	S	Bend	trans	-87.4	-17.8	179.6	-60.9	-175	166.7	0	0	113.2
149	K	83.2	Confident	94.6	Very high	85 Å²	85	45 Å²	45	37%	0.37	23%	0.231	S	C	.	.			trans	-124	138.9	-173.2	-69	180	-178.2	178.6	0	109.6	C146 P151	C146-K149 CarbonylContact C-O 3.6Å; K149-P151 WeakPolarHBondContact O-CD 3.5Å
150	S	88.6	Confident	94.6	Very high	104 Å²	104	47 Å²	47	73%	0.727	24%	0.24	S	C	*	.			trans	-104.5	80	169.2	-64.2	0	0	0	0	108.5
151	P	95.2	Very high	94.6	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.071	24%	0.239	C	C	.	.			trans	-57.5	147.6	177	20	-29	0	0	0	111.4	K149 I154 Q184 T186 I245 P246	K149-P151 WeakPolarHBondContact O-CD 3.5Å; P151-I154 HydrophobicContact CB-CG1 4.44Å; P151-I154 HydrophobicContact CG-CD1 4.43Å; P151-I154 HydrophobicContact CG-CG1 4.28Å; P151-Q184 CarbonylContact C-O 3.56Å; P151-Q184 WeakPolarHBondContact CA-O 3.14Å; P151-T186 WeakPolarHBondContact CB-OG1 3.37Å; P151-I245 HydrophobicContact CB-CD1 3.65Å; P151-I245 HydrophobicContact CG-CD1 3.62Å; P151-I245 WeakPolarHBondContact O-CD1 3.38Å; P151-P246 WeakPolarHBondContact O-CD 3.42Å
152	F	97.3	Very high	94.6	Very high	26 Å²	26	47.1 Å²	47.1	11%	0.114	25%	0.251	C	S	.	.	S	Bend	trans	-87.9	-35.4	167.3	174.7	-101.4	0	0	0	111	I183 Q184 P246 Y247 I263 L267 P269	F152-I183 HydrophobicContact CB-CG2 3.72Å; F152-I183 HydrophobicContact CD1-CG2 3.69Å; F152-I183 HydrophobicContact CG-CG2 3.95Å; F152-Q184 PolarHBondContact N-O 3.42Å; F152-P246 HydrophobicContact CD2-CB 4.07Å; F152-P246 HydrophobicContact CD2-CG 4Å; F152-P246 HydrophobicContact CE2-CB 4.2Å; F152-Y247 HydrophobicContact CE1-CD2 4.03Å; F152-Y247 HydrophobicContact CE1-CE2 4.49Å; F152-Y247 AromaticContact CE2-CD2 3.96Å; F152-Y247 HydrophobicContact CE2-CD2 3.96Å; F152-Y247 AromaticContact CE2-CE2 3.99Å; F152-Y247 HydrophobicContact CE2-CE2 3.99Å; F152-Y247 AromaticContact CZ-CD2 3.6Å; F152-Y247 HydrophobicContact CZ-CD2 3.6Å; F152-Y247 AromaticContact CZ-CE2 3.68Å; F152-Y247 HydrophobicContact CZ-CE2 3.68Å; F152-Y247 PolarHBondContact O-N 3Å; F152-I263 HydrophobicContact CE1-CG2 4.27Å; F152-L267 HydrophobicContact CE1-CB 3.86Å; F152-L267 HydrophobicContact CE1-CD1 3.97Å; F152-L267 HydrophobicContact CZ-CB 3.92Å; F152-P269 HydrophobicContact CD2-CB 4.37Å; F152-P269 HydrophobicContact CE1-CB 4.24Å; F152-P269 HydrophobicContact CE2-CB 3.88Å; F152-P269 HydrophobicContact CZ-CB 3.8Å
153	L	98.5	Very high	94.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.6	-178.2	177.3	62	0	0	0	110.6	L155 I185 T186 Y247 M249 T259 L262 I263 L267	L153-L155 HydrophobicContact CD1-CD2 4.49Å; L153-L155 HydrophobicContact CD2-CD2 3.76Å; L153-L155 HydrophobicContact CG-CD2 3.99Å; L153-I185 WeakPolarHBondContact O-CA 3.47Å; L153-T186 PolarHBondContact O-N 2.98Å; L153-Y247 WeakPolarHBondContact CA-O 3.02Å; L153-M249 HydrophobicContact CD1-CB 4.21Å; L153-T259 HydrophobicContact CD2-CG2 4.48Å; L153-L262 HydrophobicContact CD2-CD2 3.9Å; L153-L262 HydrophobicContact CD2-CG 4.44Å; L153-I263 HydrophobicContact CD2-CD1 4.23Å; L153-I263 HydrophobicContact CD2-CG1 3.97Å; L153-L267 HydrophobicContact CD1-CD1 4.12Å; L153-L267 HydrophobicContact CD2-CD1 4.37Å
154	I	98.6	Very high	94.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.3	164.1	-71.3	163.8	0	0	0	109.8	P151 L156 T186 W237 V238 C242 I245 Y247 V248 M249	P151-I154 HydrophobicContact CB-CG1 4.44Å; P151-I154 HydrophobicContact CG-CD1 4.43Å; P151-I154 HydrophobicContact CG-CG1 4.28Å; I154-L156 HydrophobicContact CG2-CD2 3.61Å; I154-L156 HydrophobicContact CG2-CG 3.95Å; I154-T186 CarbonylContact C-O 3.5Å; I154-T186 VanDerWaalsContact CA-O 3.28Å; I154-T186 WeakPolarHBondContact CA-O 3.35Å; I154-T186 HydrophobicContact CG1-CG2 4.33Å; I154-W237 HydrophobicContact CD1-CZ3 4.28Å; I154-V238 HydrophobicContact CD1-CG1 4.39Å; I154-V238 HydrophobicContact CD1-CG2 4.11Å; I154-V238 HydrophobicContact CG2-CG2 4.15Å; I154-C242 HydrophobicContact CD1-CB 3.66Å; I154-C242 VanDerWaalsContact CD1-SG 3.59Å; I154-I245 HydrophobicContact CD1-CB 4.26Å; I154-I245 HydrophobicContact CD1-CD1 3.84Å; I154-I245 HydrophobicContact CD1-CG1 3.89Å; I154-I245 HydrophobicContact CG1-CD1 3.78Å; I154-I245 HydrophobicContact CG1-CG1 4.13Å; I154-Y247 PolarHBondContact N-O 3.32Å; I154-V248 HydrophobicContact CB-CG1 4.41Å; I154-V248 HydrophobicContact CG2-CG1 4.42Å; I154-V248 CarbonylContact O-C 3.57Å; I154-V248 WeakPolarHBondContact O-CA 3.45Å; I154-M249 PolarHBondContact O-N 3.47Å
155	L	98.8	Very high	95	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	102.1	170.7	-56.8	176.9	0	0	0	108.8	L153 I157 W174 I185 T186 I188 M249	L153-L155 HydrophobicContact CD1-CD2 4.49Å; L153-L155 HydrophobicContact CD2-CD2 3.76Å; L153-L155 HydrophobicContact CG-CD2 3.99Å; L155-I157 HydrophobicContact CB-CD1 4.33Å; L155-I157 HydrophobicContact CB-CG1 4.3Å; L155-W174 HydrophobicContact CD1-CE3 4.37Å; L155-W174 HydrophobicContact CD1-CZ3 4.26Å; L155-I185 HydrophobicContact CD1-CG2 3.88Å; L155-I185 HydrophobicContact CG-CG2 3.99Å; L155-T186 PolarHBondContact N-O 3.26Å; L155-I188 PolarHBondContact O-N 3.34Å; L155-I188 VanDerWaalsContact O-O 3.14Å; L155-M249 HydrophobicContact CD2-CB 3.89Å; L155-M249 HydrophobicContact CD2-CG 4.42Å; L155-M249 HydrophobicContact CD2-SD 4.12Å
156	L	98.9	Very high	95.3	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.5	171.1	-61.7	-178.2	0	0	0	109.5	I154 I188 L190 V238 V248 M249 K250 T251	I154-L156 HydrophobicContact CG2-CD2 3.61Å; I154-L156 HydrophobicContact CG2-CG 3.95Å; L156-I188 HydrophobicContact CD2-CB 4.19Å; L156-I188 HydrophobicContact CD2-CG2 4.4Å; L156-L190 HydrophobicContact CB-CD1 4.06Å; L156-L190 HydrophobicContact CB-CG 4.46Å; L156-L190 HydrophobicContact CD2-CD2 4.2Å; L156-V238 HydrophobicContact CD1-CG2 4Å; L156-V238 HydrophobicContact CD2-CG2 3.92Å; L156-V238 HydrophobicContact CG-CG2 4.31Å; L156-V248 HydrophobicContact CD1-CG1 3.6Å; L156-V248 HydrophobicContact CG-CG1 3.73Å; L156-M249 PolarHBondContact N-O 3.21Å; L156-K250 WeakPolarHBondContact O-CA 3.28Å; L156-T251 PolarHBondContact O-N 2.79Å
157	I	98.9	Very high	95.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109.7	-170.6	-55.6	163.7	0	0	0	109.6	L155 A159 I170 W174 R187 I188 F189 L190 T251	L155-I157 HydrophobicContact CB-CD1 4.33Å; L155-I157 HydrophobicContact CB-CG1 4.3Å; I157-A159 PolarHBondContact O-N 2.88Å; I157-I170 HydrophobicContact CD1-CG2 3.83Å; I157-I170 HydrophobicContact CG2-CD1 4.07Å; I157-W174 HydrophobicContact CD1-CH2 3.67Å; I157-W174 HydrophobicContact CD1-CZ3 3.77Å; I157-W174 HydrophobicContact CG1-CH2 3.84Å; I157-W174 HydrophobicContact CG1-CZ3 4.11Å; I157-W174 HydrophobicContact CG2-CH2 4.24Å; I157-R187 HydrophobicContact CD1-CG 3.44Å; I157-R187 VanDerWaalsContact CD1-CG 3.44Å; I157-I188 PolarHBondContact N-O 2.84Å; I157-F189 HydrophobicContact CB-CD1 3.76Å; I157-F189 HydrophobicContact CB-CE1 4.09Å; I157-F189 HydrophobicContact CD1-CD1 4.12Å; I157-F189 HydrophobicContact CD1-CE1 3.73Å; I157-F189 HydrophobicContact CD1-CZ 4.28Å; I157-F189 HydrophobicContact CG2-CD1 3.79Å; I157-F189 HydrophobicContact CG2-CE1 3.89Å; I157-F189 CarbonylContact O-C 3.43Å; I157-F189 WeakPolarHBondContact O-CA 3.38Å; I157-L190 PolarHBondContact O-N 3.28Å; I157-T251 WeakPolarHBondContact CA-O 3.47Å; I157-T251 HydrophobicContact CG1-CG2 4.03Å
158	A	98.8	Very high	96.1	Very high	9 Å²	9	42.9 Å²	42.9	7%	0.074	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	112.6	173.6	0	0	0	0	0	109.8	K230 T251 S253	A158-K230 HydrophobicContact CB-CD 3.8Å; A158-T251 PolarHBondContact N-O 3.42Å; A158-S253 WeakPolarHBondContact O-CB 2.96Å; A158-S253 PolarHBondContact O-N 3.33Å
159	A	98.5	Very high	97	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	18%	0.183	C	C	.	.			trans	-128.8	151.2	176.2	0	0	0	0	0	109.7	I157 R167 F189 L190 L191 K230	I157-A159 PolarHBondContact O-N 2.88Å; A159-R167 HydrophobicContact CB-CG 4.22Å; A159-F189 HydrophobicContact CB-CD1 4.37Å; A159-L190 PolarHBondContact N-O 2.83Å; A159-L190 VanDerWaalsContact O-O 3.07Å; A159-L191 HydrophobicContact CB-CD1 4.27Å; A159-K230 PolarHBondContact O-NZ 3.15Å
160	E	97.8	Very high	97.7	Very high	113 Å²	113	30.1 Å²	30.1	53%	0.528	17%	0.166	S	C	.	.			trans	-80.7	154.1	170.3	-66	177.7	-154.8	0	0	110.6	G162 Q163 R167	E160-G162 VanDerWaalsContact C-N 3.26Å; E160-G162 PolarHBondContact O-N 2.89Å; E160-Q163 HydrophobicContact CB-CG 3.96Å; E160-Q163 WeakPolarHBondContact O-CB 3.23Å; E160-Q163 PolarHBondContact O-N 3.28Å; E160-R167 PolarHBondContact O-NH1 2.84Å
161	P	97.9	Very high	98.2	Very high	6 Å²	6	26.4 Å²	26.4	4%	0.039	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-41.7	-178	-30	39.9	0	0	0	112.7	Q163 R167 G192 L201 I205 D222	P161-Q163 VanDerWaalsContact C-N 3.3Å; P161-Q163 PolarHBondContact O-N 2.8Å; P161-R167 PolarHBondContact O-NH1 3.48Å; P161-R167 VanDerWaalsContact O-NH1 3.1Å; P161-R167 PolarHBondContact O-NH2 2.8Å; P161-G192 VanDerWaalsContact CG-O 3.31Å; P161-G192 WeakPolarHBondContact CG-O 3.14Å; P161-L201 HydrophobicContact CB-CD2 4.08Å; P161-I205 HydrophobicContact CB-CD1 3.62Å; P161-D222 WeakPolarHBondContact CD-OD2 3.19Å; P161-D222 HydrophobicContact CG-CB 4.06Å
162	G	96.7	Very high	98.4	Very high	44 Å²	44	30.9 Å²	30.9	45%	0.454	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.9	-179.1	0	0	0	0	0	115.8	E160 I164	E160-G162 VanDerWaalsContact C-N 3.26Å; E160-G162 PolarHBondContact O-N 2.89Å; G162-I164 PolarHBondContact O-N 3.27Å
163	Q	97.8	Very high	98.4	Very high	55 Å²	55	29.7 Å²	29.7	26%	0.257	15%	0.15	S	C	.	.			trans	-84.1	53.4	-176.2	-71.5	176.3	-22.6	0	0	112.9	E160 P161 E165 A166 R167 S253	E160-Q163 HydrophobicContact CB-CG 3.96Å; E160-Q163 WeakPolarHBondContact O-CB 3.23Å; E160-Q163 PolarHBondContact O-N 3.28Å; P161-Q163 VanDerWaalsContact C-N 3.3Å; P161-Q163 PolarHBondContact O-N 2.8Å; Q163-E165 VanDerWaalsContact C-N 3.3Å; Q163-E165 PolarHBondContact O-N 3.15Å; Q163-A166 HydrophobicContact CB-CB 3.97Å; Q163-A166 PolarHBondContact O-N 3.3Å; Q163-R167 PolarHBondContact O-N 3.39Å; Q163-R167 VanDerWaalsContact O-N 3.12Å; Q163-S253 PolarHBondContact OE1-OG 2.66Å
164	I	97.9	Very high	98.4	Very high	46 Å²	46	29.8 Å²	29.8	24%	0.236	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-43	-179.5	-59.7	167.4	0	0	0	110.3	G162 A166 R167 R168 L201	G162-I164 PolarHBondContact O-N 3.27Å; I164-A166 VanDerWaalsContact C-N 3.35Å; I164-A166 PolarHBondContact O-N 3.06Å; I164-R167 PolarHBondContact O-N 3.41Å; I164-R168 WeakPolarHBondContact O-CB 3.39Å; I164-R168 PolarHBondContact O-N 3.49Å; I164-L201 HydrophobicContact CD1-CD1 4.34Å
165	E	98.5	Very high	98.4	Very high	99 Å²	99	29.8 Å²	29.8	46%	0.463	15%	0.151	S	C	.	.	H	α-helix	trans	-63.8	-38.9	179.7	-72.7	55.4	-125.9	0	0	111.9	Q163 R168 A169 P387	Q163-E165 VanDerWaalsContact C-N 3.3Å; Q163-E165 PolarHBondContact O-N 3.15Å; E165-R168 PolarHBondContact O-N 2.9Å; E165-R168 IonicContact OE1-CZ 3.12Å; E165-R168 IonicContact OE1-NH1 3.87Å; E165-R168 PolarHBondContact OE1-NH1 2.63Å; E165-R168 IonicContact OE1-NH2 3.8Å; E165-A169 WeakPolarHBondContact O-CB 3.46Å; E165-A169 PolarHBondContact O-N 2.91Å; E165-P387 HydrophobicContact CB-CB 4.17Å; E165-P387 HydrophobicContact CB-CG 4.03Å
166	A	98.8	Very high	98.4	Very high	8 Å²	8	32.6 Å²	32.6	7%	0.066	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-48.7	177.4	0	0	0	0	0	110.4	Q163 I164 R168 A169 I170 P387	Q163-A166 HydrophobicContact CB-CB 3.97Å; Q163-A166 PolarHBondContact O-N 3.3Å; I164-A166 VanDerWaalsContact C-N 3.35Å; I164-A166 PolarHBondContact O-N 3.06Å; A166-R168 VanDerWaalsContact C-N 3.34Å; A166-R168 PolarHBondContact O-N 3.08Å; A166-A169 PolarHBondContact O-N 3.01Å; A166-I170 WeakPolarHBondContact O-CB 3.49Å; A166-I170 WeakPolarHBondContact O-CG1 3.36Å; A166-I170 PolarHBondContact O-N 3.09Å; A166-P387 HydrophobicContact CB-CG 4.09Å
167	R	98.7	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.7	-48.6	175.4	-64.8	-167.6	-66.5	-84.5	7	111	A159 E160 P161 Q163 I164 A169 I170 R171 F189 E208	A159-R167 HydrophobicContact CB-CG 4.22Å; E160-R167 PolarHBondContact O-NH1 2.84Å; P161-R167 PolarHBondContact O-NH1 3.48Å; P161-R167 VanDerWaalsContact O-NH1 3.1Å; P161-R167 PolarHBondContact O-NH2 2.8Å; Q163-R167 PolarHBondContact O-N 3.39Å; Q163-R167 VanDerWaalsContact O-N 3.12Å; I164-R167 PolarHBondContact O-N 3.41Å; R167-A169 PolarHBondContact O-N 3.5Å; R167-I170 PolarHBondContact O-N 3.36Å; R167-R171 WeakPolarHBondContact O-CG 3.39Å; R167-R171 PolarHBondContact O-N 3.34Å; R167-F189 HydrophobicContact CB-CD1 4.37Å; R167-F189 HydrophobicContact CB-CD2 4.37Å; R167-F189 HydrophobicContact CB-CE1 3.97Å; R167-F189 HydrophobicContact CB-CE2 3.97Å; R167-F189 HydrophobicContact CB-CZ 3.75Å; R167-F189 HydrophobicContact CG-CD1 3.67Å; R167-F189 HydrophobicContact CG-CD2 4.17Å; R167-F189 HydrophobicContact CG-CE1 3.71Å; R167-F189 HydrophobicContact CG-CE2 4.21Å; R167-F189 HydrophobicContact CG-CG 3.91Å; R167-F189 HydrophobicContact CG-CZ 3.98Å; R167-E208 IonicContact CZ-OE1 3.47Å; R167-E208 IonicContact CZ-OE2 3.71Å; R167-E208 VanDerWaalsContact CZ-OE2 3.31Å; R167-E208 IonicContact NE-OE1 3.12Å; R167-E208 PolarHBondContact NE-OE1 3.49Å; R167-E208 IonicContact NE-OE2 3.78Å; R167-E208 PolarHBondContact NE-OE2 3.09Å; R167-E208 VanDerWaalsContact NE-OE2 3.12Å; R167-E208 IonicContact NH2-OE1 3.59Å; R167-E208 IonicContact NH2-OE2 3.26Å; R167-E208 PolarHBondContact NH2-OE2 2.87Å
168	R	98.7	Very high	98.1	Very high	105 Å²	105	39.3 Å²	39.3	40%	0.396	21%	0.208	S	C	.	.	H	α-helix	trans	-55.7	-48.6	176.1	-173.1	-172.8	-62.3	117.8	0.5	112.4	I164 E165 A166 I170 R171 Q172	I164-R168 WeakPolarHBondContact O-CB 3.39Å; I164-R168 PolarHBondContact O-N 3.49Å; E165-R168 PolarHBondContact O-N 2.9Å; E165-R168 IonicContact OE1-CZ 3.12Å; E165-R168 IonicContact OE1-NH1 3.87Å; E165-R168 PolarHBondContact OE1-NH1 2.63Å; E165-R168 IonicContact OE1-NH2 3.8Å; A166-R168 VanDerWaalsContact C-N 3.34Å; A166-R168 PolarHBondContact O-N 3.08Å; R168-I170 VanDerWaalsContact C-N 3.34Å; R168-I170 PolarHBondContact O-N 3.01Å; R168-R171 PolarHBondContact O-N 3.44Å; R168-Q172 WeakPolarHBondContact O-CG 3.4Å; R168-Q172 PolarHBondContact O-N 3.2Å
169	A	98.9	Very high	97.8	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-41	178.5	0	0	0	0	0	111.8	E165 A166 R167 Q172 T173 P387 I391	E165-A169 WeakPolarHBondContact O-CB 3.46Å; E165-A169 PolarHBondContact O-N 2.91Å; A166-A169 PolarHBondContact O-N 3.01Å; R167-A169 PolarHBondContact O-N 3.5Å; A169-Q172 PolarHBondContact O-N 3.33Å; A169-T173 WeakPolarHBondContact O-CB 3.48Å; A169-T173 VanDerWaalsContact O-CG2 3.26Å; A169-T173 WeakPolarHBondContact O-CG2 3.31Å; A169-T173 PolarHBondContact O-N 3.27Å; A169-T173 VanDerWaalsContact O-N 3.09Å; A169-T173 PolarHBondContact O-OG1 3.47Å; A169-P387 HydrophobicContact CB-CB 3.78Å; A169-I391 HydrophobicContact CB-CD1 3.95Å; A169-I391 HydrophobicContact CB-CG1 3.89Å
170	I	98.9	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-42.9	178.3	-66.4	166.2	0	0	0	111.3	I157 A166 R167 R168 Q172 T173 W174 G175 F189 L390	I157-I170 HydrophobicContact CD1-CG2 3.83Å; I157-I170 HydrophobicContact CG2-CD1 4.07Å; A166-I170 WeakPolarHBondContact O-CB 3.49Å; A166-I170 WeakPolarHBondContact O-CG1 3.36Å; A166-I170 PolarHBondContact O-N 3.09Å; R167-I170 PolarHBondContact O-N 3.36Å; R168-I170 VanDerWaalsContact C-N 3.34Å; R168-I170 PolarHBondContact O-N 3.01Å; I170-Q172 PolarHBondContact O-N 2.81Å; I170-T173 PolarHBondContact O-N 3.26Å; I170-T173 VanDerWaalsContact O-N 3.1Å; I170-W174 HydrophobicContact CB-CZ2 4.2Å; I170-W174 HydrophobicContact CD1-CH2 4.08Å; I170-W174 HydrophobicContact CD1-CZ2 3.56Å; I170-W174 HydrophobicContact CG1-CH2 4.25Å; I170-W174 HydrophobicContact CG1-CZ2 3.5Å; I170-W174 VanDerWaalsContact CG1-CZ2 3.5Å; I170-W174 HydrophobicContact CG2-CD2 4.04Å; I170-W174 HydrophobicContact CG2-CE3 4.06Å; I170-W174 HydrophobicContact CG2-CH2 3.66Å; I170-W174 HydrophobicContact CG2-CZ2 3.65Å; I170-W174 HydrophobicContact CG2-CZ3 3.87Å; I170-G175 VanDerWaalsContact O-CA 3.28Å; I170-G175 WeakPolarHBondContact O-CA 3.07Å; I170-G175 PolarHBondContact O-N 3.06Å; I170-F189 HydrophobicContact CB-CE1 4.24Å; I170-F189 HydrophobicContact CB-CZ 4.12Å; I170-F189 HydrophobicContact CD1-CE1 4Å; I170-F189 HydrophobicContact CG2-CE1 4.19Å; I170-F189 HydrophobicContact CG2-CZ 4.09Å; I170-L390 HydrophobicContact CG1-CD1 4.19Å
171	R	98.6	Very high	97.1	Very high	25 Å²	25	40.9 Å²	40.9	9%	0.094	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-35.9	174.6	-65.4	-167.8	-178	94.2	0.5	112.4	R167 R168 N176 F189 E208 D214	R167-R171 WeakPolarHBondContact O-CG 3.39Å; R167-R171 PolarHBondContact O-N 3.34Å; R168-R171 PolarHBondContact O-N 3.44Å; R171-N176 WeakPolarHBondContact O-CB 3.46Å; R171-F189 HydrophobicContact CG-CE2 4.11Å; R171-F189 HydrophobicContact CG-CZ 4.29Å; R171-E208 IonicContact CZ-OE1 3.82Å; R171-E208 IonicContact NH1-OE1 2.7Å; R171-E208 PolarHBondContact NH1-OE1 2.96Å; R171-E208 IonicContact NH2-OE1 2.85Å; R171-E208 PolarHBondContact NH2-OE1 3.47Å; R171-D214 IonicContact CZ-OD1 2.71Å; R171-D214 IonicContact CZ-OD2 3.21Å; R171-D214 IonicContact NE-OD1 2.72Å; R171-D214 PolarHBondContact NE-OD1 3.48Å; R171-D214 IonicContact NE-OD2 2.71Å; R171-D214 PolarHBondContact NE-OD2 2.72Å; R171-D214 IonicContact NH2-OD1 2.95Å; R171-D214 PolarHBondContact NH2-OD1 2.77Å; R171-D214 IonicContact NH2-OD2 2.79Å; R171-D214 PolarHBondContact NH2-OD2 2.99Å
172	Q	98.2	Very high	96.8	Very high	106 Å²	106	44.7 Å²	44.7	50%	0.495	27%	0.267	S	S	.	.	H	α-helix	trans	-85.4	-12.1	-178.7	-67	174.9	-4.4	0	0	113.9	R168 A169 I170	R168-Q172 WeakPolarHBondContact O-CG 3.4Å; R168-Q172 PolarHBondContact O-N 3.2Å; A169-Q172 PolarHBondContact O-N 3.33Å; I170-Q172 PolarHBondContact O-N 2.81Å
173	T	98.6	Very high	96.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-120.6	-171	59.6	0	0	0	0	111.7	A169 I170 G175 N176 I391 W394	A169-T173 WeakPolarHBondContact O-CB 3.48Å; A169-T173 VanDerWaalsContact O-CG2 3.26Å; A169-T173 WeakPolarHBondContact O-CG2 3.31Å; A169-T173 PolarHBondContact O-N 3.27Å; A169-T173 VanDerWaalsContact O-N 3.09Å; A169-T173 PolarHBondContact O-OG1 3.47Å; I170-T173 PolarHBondContact O-N 3.26Å; I170-T173 VanDerWaalsContact O-N 3.1Å; T173-G175 PolarHBondContact O-N 2.72Å; T173-N176 WeakPolarHBondContact O-CB 3.46Å; T173-N176 PolarHBondContact O-N 2.9Å; T173-I391 HydrophobicContact CG2-CB 4.42Å; T173-I391 HydrophobicContact CG2-CG1 4.05Å; T173-W394 VanDerWaalsContact C-CE2 3.46Å; T173-W394 VanDerWaalsContact CB-CG 3.46Å; T173-W394 HydrophobicContact CG2-CB 3.62Å; T173-W394 HydrophobicContact CG2-CG 3.72Å
174	W	98.4	Very high	96.7	Very high	1 Å²	1	46 Å²	46	0%	0.004	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.9	-173.4	57.4	-102.2	0	0	0	113.9	L155 I157 I170 N176 T251 M255 V257 T259 W394	L155-W174 HydrophobicContact CD1-CE3 4.37Å; L155-W174 HydrophobicContact CD1-CZ3 4.26Å; I157-W174 HydrophobicContact CD1-CH2 3.67Å; I157-W174 HydrophobicContact CD1-CZ3 3.77Å; I157-W174 HydrophobicContact CG1-CH2 3.84Å; I157-W174 HydrophobicContact CG1-CZ3 4.11Å; I157-W174 HydrophobicContact CG2-CH2 4.24Å; I170-W174 HydrophobicContact CB-CZ2 4.2Å; I170-W174 HydrophobicContact CD1-CH2 4.08Å; I170-W174 HydrophobicContact CD1-CZ2 3.56Å; I170-W174 HydrophobicContact CG1-CH2 4.25Å; I170-W174 HydrophobicContact CG1-CZ2 3.5Å; I170-W174 VanDerWaalsContact CG1-CZ2 3.5Å; I170-W174 HydrophobicContact CG2-CD2 4.04Å; I170-W174 HydrophobicContact CG2-CE3 4.06Å; I170-W174 HydrophobicContact CG2-CH2 3.66Å; I170-W174 HydrophobicContact CG2-CZ2 3.65Å; I170-W174 HydrophobicContact CG2-CZ3 3.87Å; W174-N176 VanDerWaalsContact C-N 3.34Å; W174-T251 HydrophobicContact CH2-CG2 3.68Å; W174-T251 HydrophobicContact CZ3-CG2 4.09Å; W174-M255 PolarHBondContact NE1-O 2.88Å; W174-V257 HydrophobicContact CB-CB 4.22Å; W174-V257 WeakPolarHBondContact CB-O 3.07Å; W174-V257 HydrophobicContact CD2-CB 3.8Å; W174-V257 HydrophobicContact CD2-CG2 3.98Å; W174-V257 HydrophobicContact CE3-CB 3.76Å; W174-V257 HydrophobicContact CE3-CG2 3.88Å; W174-V257 HydrophobicContact CG-CB 4.03Å; W174-V257 HydrophobicContact CH2-CG2 4.21Å; W174-V257 HydrophobicContact CZ2-CG2 4.26Å; W174-V257 HydrophobicContact CZ3-CB 4.37Å; W174-V257 HydrophobicContact CZ3-CG2 4.02Å; W174-T259 WeakPolarHBondContact O-CB 3.28Å; W174-T259 PolarHBondContact O-OG1 3.22Å; W174-W394 HydrophobicContact CB-CE3 3.89Å; W174-W394 HydrophobicContact CB-CH2 3.81Å; W174-W394 HydrophobicContact CB-CZ2 4.38Å; W174-W394 HydrophobicContact CB-CZ3 3.53Å
175	G	98.4	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.2	177.5	0	0	0	0	0	113.5	I170 T173 E177 R187	I170-G175 VanDerWaalsContact O-CA 3.28Å; I170-G175 WeakPolarHBondContact O-CA 3.07Å; I170-G175 PolarHBondContact O-N 3.06Å; T173-G175 PolarHBondContact O-N 2.72Å; G175-E177 PolarHBondContact O-N 3.18Å; G175-R187 WeakPolarHBondContact O-CD 3.49Å; G175-R187 PolarHBondContact O-NH1 3.21Å
176	N	97.9	Very high	96.5	Very high	60 Å²	60	39.4 Å²	39.4	32%	0.321	23%	0.23	S	C	.	.			trans	-58.2	122.2	-177.3	-173.7	-18.2	0	0	0	111.2	R171 T173 W174 S178 L179	R171-N176 WeakPolarHBondContact O-CB 3.46Å; T173-N176 WeakPolarHBondContact O-CB 3.46Å; T173-N176 PolarHBondContact O-N 2.9Å; W174-N176 VanDerWaalsContact C-N 3.34Å; N176-S178 PolarHBondContact O-N 2.69Å; N176-S178 PolarHBondContact OD1-N 3.28Å; N176-L179 WeakPolarHBondContact O-CB 3.38Å; N176-L179 PolarHBondContact O-N 3.1Å
177	E	96.2	Very high	96.5	Very high	39 Å²	39	39.8 Å²	39.8	18%	0.182	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.3	-176	-65	-173.6	171.3	0	0	112.8	K145 G175 L179 I185 R187	K145-E177 IonicContact NZ-OE1 3.44Å; G175-E177 PolarHBondContact O-N 3.18Å; E177-L179 VanDerWaalsContact C-N 3.32Å; E177-I185 WeakPolarHBondContact CB-O 3.16Å; E177-I185 WeakPolarHBondContact CG-O 3.37Å; E177-R187 HydrophobicContact CG-CB 4.2Å; E177-R187 PolarHBondContact OE1-N 2.92Å
178	S	95.1	Very high	96.5	Very high	103 Å²	103	39.8 Å²	39.8	72%	0.72	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	7.5	177.6	-51.9	0	0	0	0	113.7	N176 A180	N176-S178 PolarHBondContact O-N 2.69Å; N176-S178 PolarHBondContact OD1-N 3.28Å; S178-A180 PolarHBondContact O-N 3.09Å
179	L	92.8	Very high	96.5	Very high	28 Å²	28	34.8 Å²	34.8	15%	0.147	21%	0.211	C	C	.	.	S	Bend	trans	-67.7	-33	-171.6	179.2	63.1	0	0	0	114.2	N176 E177 P181 T259 E260 W394	N176-L179 WeakPolarHBondContact O-CB 3.38Å; N176-L179 PolarHBondContact O-N 3.1Å; E177-L179 VanDerWaalsContact C-N 3.32Å; L179-P181 WeakPolarHBondContact O-CD 3.3Å; L179-T259 HydrophobicContact CD2-CG2 4.23Å; L179-E260 HydrophobicContact CD1-CG 4.15Å; L179-E260 HydrophobicContact CD2-CG 3.85Å; L179-E260 HydrophobicContact CG-CG 3.76Å; L179-W394 HydrophobicContact CD1-CH2 4.33Å; L179-W394 HydrophobicContact CD1-CZ2 3.57Å; L179-W394 HydrophobicContact CD2-CH2 3.61Å; L179-W394 HydrophobicContact CD2-CZ2 3.54Å; L179-W394 HydrophobicContact CG-CZ2 4.19Å
180	A	91.4	Very high	96.5	Very high	8 Å²	8	34.7 Å²	34.7	7%	0.066	21%	0.21	C	C	.	.	S	Bend	trans	-115	98.3	-176.9	0	0	0	0	0	109.8	S178 G182 I183 I185 I263	S178-A180 PolarHBondContact O-N 3.09Å; A180-G182 PolarHBondContact O-N 3.23Å; A180-I183 HydrophobicContact CB-CB 4Å; A180-I183 PolarHBondContact O-N 3.23Å; A180-I183 VanDerWaalsContact O-O 3.09Å; A180-I185 HydrophobicContact CB-CD1 4.03Å; A180-I263 HydrophobicContact CB-CD1 4.03Å
181	P	90.1	Very high	96.5	Very high	122 Å²	122	34.7 Å²	34.7	79%	0.792	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	133	178	-26.2	34.7	0	0	0	111.7	L179 I183	L179-P181 WeakPolarHBondContact O-CD 3.3Å; P181-I183 PolarHBondContact O-N 3.25Å
182	G	93	Very high	96.5	Very high	85 Å²	85	33.5 Å²	33.5	88%	0.876	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	-10.1	-179	0	0	0	0	0	115.4	A180	A180-G182 PolarHBondContact O-N 3.23Å
183	I	95.5	Very high	96.4	Very high	35 Å²	35	30.3 Å²	30.3	18%	0.179	19%	0.192	C	C	.	.			trans	-113.6	117	178.3	-56	-60.2	0	0	0	109.4	F152 A180 P181 I185 I263 P269	F152-I183 HydrophobicContact CB-CG2 3.72Å; F152-I183 HydrophobicContact CD1-CG2 3.69Å; F152-I183 HydrophobicContact CG-CG2 3.95Å; A180-I183 HydrophobicContact CB-CB 4Å; A180-I183 PolarHBondContact O-N 3.23Å; A180-I183 VanDerWaalsContact O-O 3.09Å; P181-I183 PolarHBondContact O-N 3.25Å; I183-I185 PolarHBondContact O-N 3.03Å; I183-I263 HydrophobicContact CG1-CG2 4.27Å; I183-I263 HydrophobicContact CG2-CD1 4.27Å; I183-I263 HydrophobicContact CG2-CG2 4.15Å; I183-P269 HydrophobicContact CD1-CB 3.52Å; I183-P269 HydrophobicContact CD1-CG 3.66Å; I183-P269 HydrophobicContact CG1-CG 4.27Å
184	Q	95.5	Very high	96.3	Very high	92 Å²	92	31.5 Å²	31.5	43%	0.43	20%	0.2	S	C	.	.			trans	-75.9	119.4	177.2	-65.9	-174.8	39.4	0	0	110.1	P151 F152	P151-Q184 CarbonylContact C-O 3.56Å; P151-Q184 WeakPolarHBondContact CA-O 3.14Å; F152-Q184 PolarHBondContact N-O 3.42Å
185	I	97	Very high	95.9	Very high	5 Å²	5	37 Å²	37	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.9	173.8	-56.7	164.7	0	0	0	107.5	L153 L155 E177 A180 I183 T259 I263	L153-I185 WeakPolarHBondContact O-CA 3.47Å; L155-I185 HydrophobicContact CD1-CG2 3.88Å; L155-I185 HydrophobicContact CG-CG2 3.99Å; E177-I185 WeakPolarHBondContact CB-O 3.16Å; E177-I185 WeakPolarHBondContact CG-O 3.37Å; A180-I185 HydrophobicContact CB-CD1 4.03Å; I183-I185 PolarHBondContact O-N 3.03Å; I185-T259 HydrophobicContact CD1-CG2 3.94Å; I185-I263 HydrophobicContact CD1-CD1 3.48Å; I185-I263 VanDerWaalsContact CD1-CD1 3.48Å; I185-I263 HydrophobicContact CG1-CD1 3.86Å
186	T	96.8	Very high	95.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.3	172.9	-69.7	0	0	0	0	109.1	K145 P151 L153 I154 L155 I188	K145-T186 HydrophobicContact CD-CG2 4.4Å; K145-T186 HydrophobicContact CG-CG2 3.63Å; P151-T186 WeakPolarHBondContact CB-OG1 3.37Å; L153-T186 PolarHBondContact O-N 2.98Å; I154-T186 CarbonylContact C-O 3.5Å; I154-T186 VanDerWaalsContact CA-O 3.28Å; I154-T186 WeakPolarHBondContact CA-O 3.35Å; I154-T186 HydrophobicContact CG1-CG2 4.33Å; L155-T186 PolarHBondContact N-O 3.26Å; T186-I188 HydrophobicContact CG2-CD1 4.35Å; T186-I188 HydrophobicContact CG2-CG1 4.13Å
187	R	98	Very high	94.6	Very high	17 Å²	17	49 Å²	49	6%	0.064	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.1	177.1	-176.5	-176.5	59.8	-96.1	-9.8	109.7	I157 G175 E177 F189 D214	I157-R187 HydrophobicContact CD1-CG 3.44Å; I157-R187 VanDerWaalsContact CD1-CG 3.44Å; G175-R187 WeakPolarHBondContact O-CD 3.49Å; G175-R187 PolarHBondContact O-NH1 3.21Å; E177-R187 HydrophobicContact CG-CB 4.2Å; E177-R187 PolarHBondContact OE1-N 2.92Å; R187-F189 HydrophobicContact CG-CE2 4.43Å; R187-F189 HydrophobicContact CG-CZ 4.43Å; R187-D214 IonicContact CZ-OD2 3.48Å; R187-D214 IonicContact NE-OD2 2.87Å; R187-D214 PolarHBondContact NE-OD2 3.35Å; R187-D214 IonicContact NH2-OD2 2.72Å; R187-D214 PolarHBondContact NH2-OD2 3.04Å; R187-D214 WeakPolarHBondContact O-CB 3.44Å
188	I	98.6	Very high	94.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	122	175.8	-62.9	-66.9	0	0	0	109.8	K145 L155 L156 I157 T186 L190 D214 I216 W237	K145-I188 HydrophobicContact CG-CD1 4.22Å; L155-I188 PolarHBondContact O-N 3.34Å; L155-I188 VanDerWaalsContact O-O 3.14Å; L156-I188 HydrophobicContact CD2-CB 4.19Å; L156-I188 HydrophobicContact CD2-CG2 4.4Å; I157-I188 PolarHBondContact N-O 2.84Å; T186-I188 HydrophobicContact CG2-CD1 4.35Å; T186-I188 HydrophobicContact CG2-CG1 4.13Å; I188-L190 HydrophobicContact CG2-CD2 4.04Å; I188-D214 CarbonylContact C-O 3.52Å; I188-D214 WeakPolarHBondContact CA-O 3.48Å; I188-I216 HydrophobicContact CG2-CB 4.35Å; I188-I216 HydrophobicContact CG2-CD1 3.85Å; I188-I216 HydrophobicContact CG2-CG1 3.66Å; I188-I216 HydrophobicContact CG2-CG2 3.97Å; I188-W237 HydrophobicContact CD1-CH2 3.74Å; I188-W237 HydrophobicContact CD1-CZ2 4.02Å; I188-W237 HydrophobicContact CD1-CZ3 4.27Å; I188-W237 HydrophobicContact CG1-CE3 4.44Å; I188-W237 HydrophobicContact CG1-CH2 3.76Å; I188-W237 HydrophobicContact CG1-CZ2 4.41Å; I188-W237 HydrophobicContact CG1-CZ3 3.78Å
189	F	98.9	Very high	93.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.6	170.6	-63.8	-72.6	0	0	0	110.6	I157 A159 R167 I170 R171 R187 L191 D214 I215 I216	I157-F189 HydrophobicContact CB-CD1 3.76Å; I157-F189 HydrophobicContact CB-CE1 4.09Å; I157-F189 HydrophobicContact CD1-CD1 4.12Å; I157-F189 HydrophobicContact CD1-CE1 3.73Å; I157-F189 HydrophobicContact CD1-CZ 4.28Å; I157-F189 HydrophobicContact CG2-CD1 3.79Å; I157-F189 HydrophobicContact CG2-CE1 3.89Å; I157-F189 CarbonylContact O-C 3.43Å; I157-F189 WeakPolarHBondContact O-CA 3.38Å; A159-F189 HydrophobicContact CB-CD1 4.37Å; R167-F189 HydrophobicContact CB-CD1 4.37Å; R167-F189 HydrophobicContact CB-CD2 4.37Å; R167-F189 HydrophobicContact CB-CE1 3.97Å; R167-F189 HydrophobicContact CB-CE2 3.97Å; R167-F189 HydrophobicContact CB-CZ 3.75Å; R167-F189 HydrophobicContact CG-CD1 3.67Å; R167-F189 HydrophobicContact CG-CD2 4.17Å; R167-F189 HydrophobicContact CG-CE1 3.71Å; R167-F189 HydrophobicContact CG-CE2 4.21Å; R167-F189 HydrophobicContact CG-CG 3.91Å; R167-F189 HydrophobicContact CG-CZ 3.98Å; I170-F189 HydrophobicContact CB-CE1 4.24Å; I170-F189 HydrophobicContact CB-CZ 4.12Å; I170-F189 HydrophobicContact CD1-CE1 4Å; I170-F189 HydrophobicContact CG2-CE1 4.19Å; I170-F189 HydrophobicContact CG2-CZ 4.09Å; R171-F189 HydrophobicContact CG-CE2 4.11Å; R171-F189 HydrophobicContact CG-CZ 4.29Å; R187-F189 HydrophobicContact CG-CE2 4.43Å; R187-F189 HydrophobicContact CG-CZ 4.43Å; F189-L191 HydrophobicContact CB-CD1 3.8Å; F189-D214 WeakPolarHBondContact CD2-O 3.34Å; F189-D214 WeakPolarHBondContact CE2-OD2 3.32Å; F189-D214 PolarHBondContact N-O 3.24Å; F189-I215 HydrophobicContact CB-CG1 4.29Å; F189-I215 HydrophobicContact CD2-CG1 4.42Å; F189-I216 PolarHBondContact O-N 3.48Å
190	L	98.9	Very high	94	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.7	-179.1	-52.6	-177.6	0	0	0	110.3	L156 I157 A159 I188 I216 K230 M233	L156-L190 HydrophobicContact CB-CD1 4.06Å; L156-L190 HydrophobicContact CB-CG 4.46Å; L156-L190 HydrophobicContact CD2-CD2 4.2Å; I157-L190 PolarHBondContact O-N 3.28Å; A159-L190 PolarHBondContact N-O 2.83Å; A159-L190 VanDerWaalsContact O-O 3.07Å; I188-L190 HydrophobicContact CG2-CD2 4.04Å; L190-I216 HydrophobicContact CD2-CD1 3.51Å; L190-I216 HydrophobicContact CD2-CG1 3.63Å; L190-K230 HydrophobicContact CB-CD 4.03Å; L190-K230 HydrophobicContact CB-CG 3.65Å; L190-K230 HydrophobicContact CD1-CG 4.3Å; L190-K230 WeakPolarHBondContact O-CD 3.36Å; L190-K230 WeakPolarHBondContact O-CE 3.35Å; L190-M233 HydrophobicContact CB-CE 3.61Å; L190-M233 HydrophobicContact CD2-CE 3.88Å; L190-M233 HydrophobicContact CG-CE 4.29Å
191	L	98.6	Very high	94.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.8	-178	-82.9	63.9	0	0	0	112	A159 F189 I205 I215 I216 Q217 Q218 Y220	A159-L191 HydrophobicContact CB-CD1 4.27Å; F189-L191 HydrophobicContact CB-CD1 3.8Å; L191-I205 HydrophobicContact CD2-CD1 4.1Å; L191-I205 HydrophobicContact CD2-CG1 4.32Å; L191-I205 HydrophobicContact CD2-CG2 3.98Å; L191-I215 HydrophobicContact CD1-CG2 4.3Å; L191-I215 HydrophobicContact CD2-CG2 4.09Å; L191-I216 PolarHBondContact N-O 2.99Å; L191-Q217 HydrophobicContact CB-CB 4.31Å; L191-Q217 HydrophobicContact CB-CG 4.04Å; L191-Q217 WeakPolarHBondContact O-CA 3.44Å; L191-Q218 PolarHBondContact O-N 3.5Å; L191-Y220 PolarHBondContact O-OH 3.27Å
192	G	97.8	Very high	94.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-161.2	157.7	0	0	0	0	0	111.8	P161 Q217 Y220 D222	P161-G192 VanDerWaalsContact CG-O 3.31Å; P161-G192 WeakPolarHBondContact CG-O 3.14Å; G192-Q217 PolarHBondContact O-NE2 3.45Å; G192-Y220 CarbonylContact C-O 3.44Å; G192-Y220 WeakPolarHBondContact CA-O 3.33Å; G192-D222 PolarHBondContact N-OD2 3.21Å
193	L	97.3	Very high	94.8	Very high	40 Å²	40	54.2 Å²	54.2	21%	0.209	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.6	171.5	-67.1	174.1	0	0	0	111	I139 E219 Y220 L221 D222	I139-L193 HydrophobicContact CD1-CD2 3.52Å; I139-L193 HydrophobicContact CD1-CG 4.18Å; L193-E219 HydrophobicContact CD1-CB 4.41Å; L193-Y220 WeakPolarHBondContact CB-O 3.5Å; L193-Y220 PolarHBondContact N-O 2.72Å; L193-L221 HydrophobicContact CB-CD2 4.38Å; L193-D222 VanDerWaalsContact O-CB 3.29Å; L193-D222 WeakPolarHBondContact O-CB 3.21Å; L193-D222 PolarHBondContact O-N 3.44Å
194	S	95.9	Very high	94.9	Very high	26 Å²	26	53.7 Å²	53.7	18%	0.182	26%	0.263	C	S	.	.			trans	-64.3	138.6	174.3	-177.4	0	0	0	0	111.5	K196 L197	S194-K196 PolarHBondContact O-N 3.23Å; S194-K196 PolarHBondContact OG-N 2.88Å; S194-L197 PolarHBondContact O-N 3.43Å
195	I	89.9	Confident	95.1	Very high	116 Å²	116	49.4 Å²	49.4	60%	0.595	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-37.2	175.2	-56.4	172.9	0	0	0	111.7	L197 T223	I195-L197 PolarHBondContact O-N 3.49Å; I195-T223 HydrophobicContact CD1-CG2 3.97Å; I195-T223 HydrophobicContact CG1-CG2 3.99Å
196	K	89.4	Confident	95.1	Very high	185 Å²	185	51.6 Å²	51.6	80%	0.804	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.7	-179.7	-63.3	-175.2	-179.7	-179.3	0	113.4	S194 N198	S194-K196 PolarHBondContact O-N 3.23Å; S194-K196 PolarHBondContact OG-N 2.88Å; K196-N198 PolarHBondContact O-N 2.92Å; K196-N198 VanDerWaalsContact O-N 3.14Å
197	L	79	Confident	95.2	Very high	127 Å²	127	57.3 Å²	57.3	67%	0.665	28%	0.281	S	S	*	.			trans	44.2	46.9	-176.8	-63.5	174.2	0	0	0	112.8	S194 I195 G199 L221	S194-L197 PolarHBondContact O-N 3.43Å; I195-L197 PolarHBondContact O-N 3.49Å; L197-G199 PolarHBondContact O-N 3.4Å; L197-L221 HydrophobicContact CD2-CD2 4.14Å
198	N	86.7	Confident	95.2	Very high	78 Å²	78	57.2 Å²	57.2	42%	0.417	28%	0.282	S	S	.	.			trans	-81.8	109.1	-174.9	-177.7	-20.9	0	0	0	111.1	K196 Y200 L201 Q202	K196-N198 PolarHBondContact O-N 2.92Å; K196-N198 VanDerWaalsContact O-N 3.14Å; N198-Y200 VanDerWaalsContact C-N 3.28Å; N198-Y200 PolarHBondContact O-N 3.24Å; N198-Y200 WeakPolarHBondContact OD1-CA 3.26Å; N198-Y200 WeakPolarHBondContact OD1-CB 3.32Å; N198-Y200 PolarHBondContact OD1-N 3.37Å; N198-L201 HydrophobicContact CB-CB 4Å; N198-L201 PolarHBondContact O-N 2.85Å; N198-L201 PolarHBondContact OD1-N 2.96Å; N198-Q202 PolarHBondContact O-N 2.89Å
199	G	91.7	Very high	95.2	Very high	40 Å²	40	57.8 Å²	57.8	41%	0.412	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-29	179.1	0	0	0	0	0	114.8	L197 R203	L197-G199 PolarHBondContact O-N 3.4Å; G199-R203 WeakPolarHBondContact O-CG 3.37Å; G199-R203 PolarHBondContact O-N 2.94Å; G199-R203 VanDerWaalsContact O-N 3.07Å
200	Y	94.9	Very high	95.2	Very high	168 Å²	168	65.5 Å²	65.5	66%	0.659	32%	0.315	S	S	*	.	H	α-helix	trans	-68.1	-45.8	173.8	176.8	-91.5	0	0	0	111.1	N198 Q202 R203 A204	N198-Y200 VanDerWaalsContact C-N 3.28Å; N198-Y200 PolarHBondContact O-N 3.24Å; N198-Y200 WeakPolarHBondContact OD1-CA 3.26Å; N198-Y200 WeakPolarHBondContact OD1-CB 3.32Å; N198-Y200 PolarHBondContact OD1-N 3.37Å; Y200-Q202 VanDerWaalsContact C-N 3.31Å; Y200-Q202 PolarHBondContact O-N 2.96Å; Y200-R203 PolarHBondContact O-N 2.92Å; Y200-A204 PolarHBondContact O-N 3.29Å
201	L	96.8	Very high	95.1	Very high	25 Å²	25	71.8 Å²	71.8	13%	0.131	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-42.1	176.6	178	59.5	0	0	0	111.2	P161 I164 N198 R203 A204 I205	P161-L201 HydrophobicContact CB-CD2 4.08Å; I164-L201 HydrophobicContact CD1-CD1 4.34Å; N198-L201 HydrophobicContact CB-CB 4Å; N198-L201 PolarHBondContact O-N 2.85Å; N198-L201 PolarHBondContact OD1-N 2.96Å; L201-R203 PolarHBondContact O-N 2.97Å; L201-A204 PolarHBondContact O-N 2.71Å; L201-I205 HydrophobicContact CD1-CD1 4.21Å; L201-I205 HydrophobicContact CD1-CG1 4.47Å; L201-I205 HydrophobicContact CG-CD1 4.03Å; L201-I205 WeakPolarHBondContact O-CG1 3.42Å; L201-I205 PolarHBondContact O-N 3.12Å
202	Q	97.5	Very high	95.1	Very high	40 Å²	40	76.3 Å²	76.3	19%	0.187	36%	0.362	C	S	.	.	H	α-helix	trans	-64.1	-39.9	177.5	-173.1	58.6	34.5	0	0	112.4	N198 Y200 I205 L206	N198-Q202 PolarHBondContact O-N 2.89Å; Y200-Q202 VanDerWaalsContact C-N 3.31Å; Y200-Q202 PolarHBondContact O-N 2.96Å; Q202-I205 PolarHBondContact O-N 3.49Å; Q202-L206 WeakPolarHBondContact O-CG 3.28Å; Q202-L206 PolarHBondContact O-N 3.1Å
203	R	97.1	Very high	95	Very high	144 Å²	144	80.9 Å²	80.9	54%	0.543	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-43.8	173.2	-76.4	-171.1	-64.3	-98.2	3.3	112.2	G199 Y200 L201 I205 L206 E207	G199-R203 WeakPolarHBondContact O-CG 3.37Å; G199-R203 PolarHBondContact O-N 2.94Å; G199-R203 VanDerWaalsContact O-N 3.07Å; Y200-R203 PolarHBondContact O-N 2.92Å; L201-R203 PolarHBondContact O-N 2.97Å; R203-I205 VanDerWaalsContact C-N 3.29Å; R203-I205 PolarHBondContact O-N 2.87Å; R203-L206 WeakPolarHBondContact O-CB 3.46Å; R203-L206 PolarHBondContact O-N 2.77Å; R203-L206 VanDerWaalsContact O-N 3.16Å; R203-E207 WeakPolarHBondContact O-CG 3.39Å; R203-E207 PolarHBondContact O-N 3.44Å
204	A	97.6	Very high	95	Very high	24 Å²	24	79 Å²	79	20%	0.198	37%	0.373	C	S	.	.	H	α-helix	trans	-60.7	-38.1	176.7	0	0	0	0	0	112.3	Y200 L201 E207 E208	Y200-A204 PolarHBondContact O-N 3.29Å; L201-A204 PolarHBondContact O-N 2.71Å; A204-E207 PolarHBondContact O-N 3.48Å; A204-E208 WeakPolarHBondContact O-CB 3.33Å; A204-E208 PolarHBondContact O-N 2.89Å
205	I	98.4	Very high	95.2	Very high	1 Å²	1	77.8 Å²	77.8	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-66.7	-40.3	175	-69.2	161.7	0	0	0	111.5	I140 P161 L191 L201 Q202 R203 E208 S209 I215	I140-I205 HydrophobicContact CD1-CG2 3.82Å; P161-I205 HydrophobicContact CB-CD1 3.62Å; L191-I205 HydrophobicContact CD2-CD1 4.1Å; L191-I205 HydrophobicContact CD2-CG1 4.32Å; L191-I205 HydrophobicContact CD2-CG2 3.98Å; L201-I205 HydrophobicContact CD1-CD1 4.21Å; L201-I205 HydrophobicContact CD1-CG1 4.47Å; L201-I205 HydrophobicContact CG-CD1 4.03Å; L201-I205 WeakPolarHBondContact O-CG1 3.42Å; L201-I205 PolarHBondContact O-N 3.12Å; Q202-I205 PolarHBondContact O-N 3.49Å; R203-I205 VanDerWaalsContact C-N 3.29Å; R203-I205 PolarHBondContact O-N 2.87Å; I205-E208 PolarHBondContact O-N 3.13Å; I205-S209 WeakPolarHBondContact O-CB 3.36Å; I205-S209 PolarHBondContact O-N 3.22Å; I205-I215 HydrophobicContact CG2-CD1 4.44Å; I205-I215 HydrophobicContact CG2-CG2 4.4Å
206	L	98.2	Very high	95.6	Very high	51 Å²	51	72.2 Å²	72.2	27%	0.267	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-39.9	175.6	-70.7	167.9	0	0	0	111.8	I140 Q202 R203 R210	I140-L206 HydrophobicContact CD1-CD2 3.97Å; I140-L206 HydrophobicContact CG1-CD2 3.97Å; Q202-L206 WeakPolarHBondContact O-CG 3.28Å; Q202-L206 PolarHBondContact O-N 3.1Å; R203-L206 WeakPolarHBondContact O-CB 3.46Å; R203-L206 PolarHBondContact O-N 2.77Å; R203-L206 VanDerWaalsContact O-N 3.16Å; L206-R210 VanDerWaalsContact O-CG 3.3Å; L206-R210 WeakPolarHBondContact O-CG 3.13Å; L206-R210 PolarHBondContact O-N 3.38Å; L206-R210 VanDerWaalsContact O-N 3.08Å
207	E	98.3	Very high	96	Very high	121 Å²	121	63.4 Å²	63.4	57%	0.565	30%	0.298	S	S	*	.	H	α-helix	trans	-65	-44.5	173.5	-72	168.7	-165	0	0	111.7	R203 A204 S209 R210 Q211	R203-E207 WeakPolarHBondContact O-CG 3.39Å; R203-E207 PolarHBondContact O-N 3.44Å; A204-E207 PolarHBondContact O-N 3.48Å; E207-S209 PolarHBondContact O-N 2.87Å; E207-R210 PolarHBondContact O-N 3.12Å; E207-Q211 PolarHBondContact O-N 2.94Å; E207-Q211 VanDerWaalsContact O-N 3.1Å
208	E	98.5	Very high	96.9	Very high	16 Å²	16	57.4 Å²	57.4	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-44.5	175.6	-174.7	-174.8	174.4	0	0	111.9	R167 R171 A204 I205 Q211 Y212 I215	R167-E208 IonicContact CZ-OE1 3.47Å; R167-E208 IonicContact CZ-OE2 3.71Å; R167-E208 VanDerWaalsContact CZ-OE2 3.31Å; R167-E208 IonicContact NE-OE1 3.12Å; R167-E208 PolarHBondContact NE-OE1 3.49Å; R167-E208 IonicContact NE-OE2 3.78Å; R167-E208 PolarHBondContact NE-OE2 3.09Å; R167-E208 VanDerWaalsContact NE-OE2 3.12Å; R167-E208 IonicContact NH2-OE1 3.59Å; R167-E208 IonicContact NH2-OE2 3.26Å; R167-E208 PolarHBondContact NH2-OE2 2.87Å; R171-E208 IonicContact CZ-OE1 3.82Å; R171-E208 IonicContact NH1-OE1 2.7Å; R171-E208 PolarHBondContact NH1-OE1 2.96Å; R171-E208 IonicContact NH2-OE1 2.85Å; R171-E208 PolarHBondContact NH2-OE1 3.47Å; A204-E208 WeakPolarHBondContact O-CB 3.33Å; A204-E208 PolarHBondContact O-N 2.89Å; I205-E208 PolarHBondContact O-N 3.13Å; E208-Q211 PolarHBondContact O-N 3.23Å; E208-Q211 VanDerWaalsContact O-N 3.15Å; E208-Y212 HydrophobicContact CG-CD2 3.79Å; E208-Y212 HydrophobicContact CG-CE2 4.16Å; E208-Y212 WeakPolarHBondContact O-CD2 3.44Å; E208-Y212 PolarHBondContact O-N 3.24Å; E208-I215 HydrophobicContact CB-CD1 4.17Å; E208-I215 HydrophobicContact CG-CD1 3.82Å
209	S	98.2	Very high	97.3	Very high	11 Å²	11	58.3 Å²	58.3	8%	0.077	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-44.9	176.3	160.5	0	0	0	0	111.6	I140 E142 I205 E207 Q211 Y212 H213	I140-S209 WeakPolarHBondContact CG2-OG 3.26Å; E142-S209 PolarHBondContact OE1-OG 2.7Å; I205-S209 WeakPolarHBondContact O-CB 3.36Å; I205-S209 PolarHBondContact O-N 3.22Å; E207-S209 PolarHBondContact O-N 2.87Å; S209-Q211 PolarHBondContact O-N 3.44Å; S209-Y212 PolarHBondContact O-N 2.64Å; S209-H213 WeakPolarHBondContact O-CA 3.27Å; S209-H213 PolarHBondContact O-N 3.37Å
210	R	97.9	Very high	97.5	Very high	163 Å²	163	56.8 Å²	56.8	62%	0.615	25%	0.25	S	C	*	.	H	α-helix	trans	-60	-28.8	174.8	-72.2	177.9	-166.9	111.1	-2.8	113.2	L206 E207 H213	L206-R210 VanDerWaalsContact O-CG 3.3Å; L206-R210 WeakPolarHBondContact O-CG 3.13Å; L206-R210 PolarHBondContact O-N 3.38Å; L206-R210 VanDerWaalsContact O-N 3.08Å; E207-R210 PolarHBondContact O-N 3.12Å; R210-H213 PolarHBondContact O-NE2 3.28Å
211	Q	97.8	Very high	97.6	Very high	132 Å²	132	52.6 Å²	52.6	62%	0.617	24%	0.238	S	C	*	.	H	α-helix	trans	-81.7	-41.6	-179.6	-176.3	177.9	-3.2	0	0	112.6	E207 E208 S209	E207-Q211 PolarHBondContact O-N 2.94Å; E207-Q211 VanDerWaalsContact O-N 3.1Å; E208-Q211 PolarHBondContact O-N 3.23Å; E208-Q211 VanDerWaalsContact O-N 3.15Å; S209-Q211 PolarHBondContact O-N 3.44Å
212	Y	97.6	Very high	97.6	Very high	95 Å²	95	52 Å²	52	37%	0.373	24%	0.235	S	C	.	.	H	α-helix	trans	-111.6	-16.7	-168.1	-64.3	-68.7	0	0	0	114.9	E208 S209 D214	E208-Y212 HydrophobicContact CG-CD2 3.79Å; E208-Y212 HydrophobicContact CG-CE2 4.16Å; E208-Y212 WeakPolarHBondContact O-CD2 3.44Å; E208-Y212 PolarHBondContact O-N 3.24Å; S209-Y212 PolarHBondContact O-N 2.64Å; Y212-D214 VanDerWaalsContact CB-OD1 3.3Å; Y212-D214 WeakPolarHBondContact CB-OD1 3.34Å; Y212-D214 PolarHBondContact O-N 3.12Å
213	H	97.1	Very high	97.6	Very high	96 Å²	96	51.8 Å²	51.8	44%	0.444	24%	0.237	S	C	.	.	S	Bend	trans	50	40.8	-179.1	-67.3	-74.4	0	0	0	113.5	E142 K145 S209 R210	E142-H213 WeakPolarHBondContact OE1-CA 3.47Å; E142-H213 IonicContact OE1-ND1 2.77Å; E142-H213 WeakPolarHBondContact OE2-CB 3.48Å; E142-H213 IonicContact OE2-CG 3.86Å; E142-H213 IonicContact OE2-ND1 3.48Å; E142-H213 PolarHBondContact OE2-ND1 3.41Å; E142-H213 VanDerWaalsContact OE2-ND1 3.12Å; K145-H213 WeakPolarHBondContact CD-O 2.96Å; K145-H213 WeakPolarHBondContact CE-O 3.48Å; K145-H213 PolarHBondContact NZ-O 3Å; S209-H213 WeakPolarHBondContact O-CA 3.27Å; S209-H213 PolarHBondContact O-N 3.37Å; R210-H213 PolarHBondContact O-NE2 3.28Å
214	D	97.9	Very high	97.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.226	C	C	.	.			trans	-136.2	21.8	-172.5	71.6	-8.3	0	0	0	113.4	R171 R187 I188 F189 Y212	R171-D214 IonicContact CZ-OD1 2.71Å; R171-D214 IonicContact CZ-OD2 3.21Å; R171-D214 IonicContact NE-OD1 2.72Å; R171-D214 PolarHBondContact NE-OD1 3.48Å; R171-D214 IonicContact NE-OD2 2.71Å; R171-D214 PolarHBondContact NE-OD2 2.72Å; R171-D214 IonicContact NH2-OD1 2.95Å; R171-D214 PolarHBondContact NH2-OD1 2.77Å; R171-D214 IonicContact NH2-OD2 2.79Å; R171-D214 PolarHBondContact NH2-OD2 2.99Å; R187-D214 IonicContact CZ-OD2 3.48Å; R187-D214 IonicContact NE-OD2 2.87Å; R187-D214 PolarHBondContact NE-OD2 3.35Å; R187-D214 IonicContact NH2-OD2 2.72Å; R187-D214 PolarHBondContact NH2-OD2 3.04Å; R187-D214 WeakPolarHBondContact O-CB 3.44Å; I188-D214 CarbonylContact C-O 3.52Å; I188-D214 WeakPolarHBondContact CA-O 3.48Å; F189-D214 WeakPolarHBondContact CD2-O 3.34Å; F189-D214 WeakPolarHBondContact CE2-OD2 3.32Å; F189-D214 PolarHBondContact N-O 3.24Å; Y212-D214 VanDerWaalsContact CB-OD1 3.3Å; Y212-D214 WeakPolarHBondContact CB-OD1 3.34Å; Y212-D214 PolarHBondContact O-N 3.12Å
215	I	98.8	Very high	97.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.1	178.6	-62.7	177.2	0	0	0	108.4	I140 E142 F189 L191 I205 E208	I140-I215 HydrophobicContact CD1-CG2 4.14Å; I140-I215 WeakPolarHBondContact CG2-O 3.23Å; E142-I215 VanDerWaalsContact CG-O 3.28Å; E142-I215 WeakPolarHBondContact CG-O 3.29Å; F189-I215 HydrophobicContact CB-CG1 4.29Å; F189-I215 HydrophobicContact CD2-CG1 4.42Å; L191-I215 HydrophobicContact CD1-CG2 4.3Å; L191-I215 HydrophobicContact CD2-CG2 4.09Å; I205-I215 HydrophobicContact CG2-CD1 4.44Å; I205-I215 HydrophobicContact CG2-CG2 4.4Å; E208-I215 HydrophobicContact CB-CD1 4.17Å; E208-I215 HydrophobicContact CG-CD1 3.82Å
216	I	98.7	Very high	97.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.5	162	66.7	175.8	0	0	0	109.5	Y138 I140 E142 I188 F189 L190 L191 M233 W237	Y138-I216 HydrophobicContact CE1-CB 4.44Å; Y138-I216 HydrophobicContact CE1-CD1 4.49Å; I140-I216 WeakPolarHBondContact O-CA 3.47Å; E142-I216 HydrophobicContact CB-CG2 4.34Å; E142-I216 HydrophobicContact CG-CG2 4.3Å; I188-I216 HydrophobicContact CG2-CB 4.35Å; I188-I216 HydrophobicContact CG2-CD1 3.85Å; I188-I216 HydrophobicContact CG2-CG1 3.66Å; I188-I216 HydrophobicContact CG2-CG2 3.97Å; F189-I216 PolarHBondContact O-N 3.48Å; L190-I216 HydrophobicContact CD2-CD1 3.51Å; L190-I216 HydrophobicContact CD2-CG1 3.63Å; L191-I216 PolarHBondContact N-O 2.99Å; I216-M233 HydrophobicContact CD1-CE 4.3Å; I216-M233 HydrophobicContact CD1-CG 4.24Å; I216-M233 HydrophobicContact CG1-CE 3.98Å; I216-M233 HydrophobicContact CG1-SD 4.43Å; I216-W237 HydrophobicContact CD1-CB 3.61Å; I216-W237 HydrophobicContact CD1-CD2 4.08Å; I216-W237 HydrophobicContact CD1-CG 3.52Å; I216-W237 HydrophobicContact CG2-CD2 4.45Å; I216-W237 HydrophobicContact CG2-CG 4.38Å
217	Q	98.6	Very high	97.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	134.9	-173.6	-169	-174	26.6	0	0	110.8	Y138 I139 I140 L191 G192	Y138-Q217 CarbonylContact C-O 3.58Å; Y138-Q217 WeakPolarHBondContact CA-O 2.91Å; I139-Q217 HydrophobicContact CB-CB 4.42Å; I139-Q217 HydrophobicContact CB-CG 4.45Å; I139-Q217 HydrophobicContact CD1-CG 4.32Å; I139-Q217 PolarHBondContact N-O 3.1Å; I140-Q217 HydrophobicContact CB-CB 4.03Å; I140-Q217 HydrophobicContact CD1-CB 4.16Å; I140-Q217 HydrophobicContact CG1-CB 4.1Å; I140-Q217 PolarHBondContact N-O 2.68Å; I140-Q217 PolarHBondContact O-N 3.18Å; L191-Q217 HydrophobicContact CB-CB 4.31Å; L191-Q217 HydrophobicContact CB-CG 4.04Å; L191-Q217 WeakPolarHBondContact O-CA 3.44Å; G192-Q217 PolarHBondContact O-NE2 3.45Å
218	Q	97.8	Very high	97.4	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	160	173.8	-78.6	-174.6	-23.4	0	0	112.2	Y134 F136 K137 Y138 L191 Y220 M233	Y134-Q218 PolarHBondContact OH-OE1 2.87Å; F136-Q218 HydrophobicContact CB-CB 4.07Å; F136-Q218 HydrophobicContact CB-CG 4.33Å; F136-Q218 PolarHBondContact O-NE2 3.12Å; F136-Q218 VanDerWaalsContact O-NE2 3.09Å; K137-Q218 VanDerWaalsContact O-CA 3.31Å; K137-Q218 WeakPolarHBondContact O-CA 3.48Å; Y138-Q218 HydrophobicContact CD1-CG 3.48Å; Y138-Q218 VanDerWaalsContact CD1-CG 3.48Å; Y138-Q218 HydrophobicContact CE1-CG 3.67Å; Y138-Q218 HydrophobicContact CG-CG 3.96Å; Y138-Q218 VanDerWaalsContact CZ-NE2 3.28Å; L191-Q218 PolarHBondContact O-N 3.5Å; Q218-Y220 VanDerWaalsContact C-N 3.25Å; Q218-Y220 HydrophobicContact CB-CD1 3.78Å; Q218-Y220 HydrophobicContact CB-CE1 3.6Å; Q218-Y220 PolarHBondContact O-N 3Å; Q218-M233 HydrophobicContact CB-SD 3.67Å; Q218-M233 VanDerWaalsContact CD-CG 3.48Å; Q218-M233 HydrophobicContact CG-CG 3.9Å; Q218-M233 HydrophobicContact CG-SD 3.51Å; Q218-M233 VanDerWaalsContact CG-SD 3.51Å
219	E	94.9	Very high	97.4	Very high	96 Å²	96	49.1 Å²	49.1	45%	0.449	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	49.8	-172.8	64.4	-175.9	177.9	0	0	115.3	K137 I139 L193	K137-E219 VanDerWaalsContact CB-CD 3.47Å; K137-E219 HydrophobicContact CB-CG 4.14Å; K137-E219 WeakPolarHBondContact CB-OE1 3.21Å; K137-E219 PolarHBondContact N-OE1 2.71Å; K137-E219 PolarHBondContact O-N 2.79Å; K137-E219 VanDerWaalsContact O-N 3.14Å; I139-E219 HydrophobicContact CD1-CB 4.16Å; I139-E219 HydrophobicContact CG1-CB 4.4Å; L193-E219 HydrophobicContact CD1-CB 4.41Å
220	Y	95.2	Very high	97.4	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.4	170.4	61.1	-98	0	0	0	111.1	F136 L191 G192 L193 Q218 D222 N226 I229 K230 M233	F136-Y220 HydrophobicContact CB-CD1 4.42Å; F136-Y220 HydrophobicContact CD1-CD1 4.14Å; F136-Y220 HydrophobicContact CD1-CG 4.46Å; F136-Y220 HydrophobicContact CD2-CD1 4.5Å; F136-Y220 HydrophobicContact CG-CD1 4.09Å; L191-Y220 PolarHBondContact O-OH 3.27Å; G192-Y220 CarbonylContact C-O 3.44Å; G192-Y220 WeakPolarHBondContact CA-O 3.33Å; L193-Y220 WeakPolarHBondContact CB-O 3.5Å; L193-Y220 PolarHBondContact N-O 2.72Å; Q218-Y220 VanDerWaalsContact C-N 3.25Å; Q218-Y220 HydrophobicContact CB-CD1 3.78Å; Q218-Y220 HydrophobicContact CB-CE1 3.6Å; Q218-Y220 PolarHBondContact O-N 3Å; Y220-D222 PolarHBondContact O-N 2.81Å; Y220-N226 HydrophobicContact CD2-CB 4.25Å; Y220-I229 HydrophobicContact CD1-CG2 3.53Å; Y220-I229 HydrophobicContact CD2-CG2 4.37Å; Y220-I229 HydrophobicContact CE1-CG2 3.68Å; Y220-I229 HydrophobicContact CG-CG2 3.93Å; Y220-K230 HydrophobicContact CE2-CB 4.26Å; Y220-K230 WeakPolarHBondContact OH-CA 3.41Å; Y220-K230 VanDerWaalsContact OH-CB 3.24Å; Y220-K230 WeakPolarHBondContact OH-CB 3.3Å; Y220-K230 WeakPolarHBondContact OH-CG 3.35Å; Y220-M233 HydrophobicContact CE1-SD 4.12Å; Y220-M233 WeakPolarHBondContact OH-CE 3.34Å
221	L	96.6	Very high	97.4	Very high	79 Å²	79	41.2 Å²	41.2	41%	0.414	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126.1	175.7	-65.5	179.1	0	0	0	111.1	L193 L197 T223 N226	L193-L221 HydrophobicContact CB-CD2 4.38Å; L197-L221 HydrophobicContact CD2-CD2 4.14Å; L221-T223 HydrophobicContact CB-CG2 4.18Å; L221-T223 PolarHBondContact O-N 3.36Å; L221-T223 VanDerWaalsContact O-N 3.1Å; L221-N226 WeakPolarHBondContact O-CB 3.33Å; L221-N226 PolarHBondContact O-ND2 3.15Å
222	D	97.4	Very high	97.4	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.07	16%	0.162	C	C	.	.			trans	-76.6	97.3	177.9	-155.4	-33.6	0	0	0	110	P161 G192 L193 Y220 K230	P161-D222 WeakPolarHBondContact CD-OD2 3.19Å; P161-D222 HydrophobicContact CG-CB 4.06Å; G192-D222 PolarHBondContact N-OD2 3.21Å; L193-D222 VanDerWaalsContact O-CB 3.29Å; L193-D222 WeakPolarHBondContact O-CB 3.21Å; L193-D222 PolarHBondContact O-N 3.44Å; Y220-D222 PolarHBondContact O-N 2.81Å; D222-K230 VanDerWaalsContact OD1-CE 3.28Å; D222-K230 WeakPolarHBondContact OD1-CE 3.35Å; D222-K230 IonicContact OD1-NZ 3.4Å; D222-K230 PolarHBondContact OD1-NZ 3.18Å; D222-K230 VanDerWaalsContact OD2-CE 3.25Å; D222-K230 WeakPolarHBondContact OD2-CE 3.42Å; D222-K230 IonicContact OD2-NZ 2.72Å; D222-K230 PolarHBondContact OD2-NZ 3.42Å
223	T	96.9	Very high	97.5	Very high	36 Å²	36	30.8 Å²	30.8	22%	0.221	14%	0.144	C	C	.	.			trans	-135.7	159.1	-179.8	70.8	0	0	0	0	109.5	I195 L221 Y225 N226 L227	I195-T223 HydrophobicContact CD1-CG2 3.97Å; I195-T223 HydrophobicContact CG1-CG2 3.99Å; L221-T223 HydrophobicContact CB-CG2 4.18Å; L221-T223 PolarHBondContact O-N 3.36Å; L221-T223 VanDerWaalsContact O-N 3.1Å; T223-Y225 PolarHBondContact O-N 3.49Å; T223-Y225 VanDerWaalsContact O-N 3.16Å; T223-Y225 PolarHBondContact OG1-N 3.29Å; T223-N226 PolarHBondContact O-N 3.01Å; T223-N226 PolarHBondContact OG1-N 3.35Å; T223-N226 PolarHBondContact OG1-ND2 3.38Å; T223-L227 PolarHBondContact O-N 3Å
224	Y	95.9	Very high	97.5	Very high	82 Å²	82	26.2 Å²	26.2	32%	0.322	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-52.2	-37.3	172.1	-176.5	-101	0	0	0	112.1	N226 L227 K295 W296 L339	Y224-N226 PolarHBondContact O-N 3.42Å; Y224-L227 HydrophobicContact CD2-CD1 3.5Å; Y224-L227 VanDerWaalsContact CD2-CD1 3.5Å; Y224-L227 HydrophobicContact CD2-CG 4.47Å; Y224-L227 HydrophobicContact CE2-CD1 3.65Å; Y224-L227 HydrophobicContact CG-CD1 4.29Å; Y224-L227 VanDerWaalsContact O-CG 3.28Å; Y224-L227 WeakPolarHBondContact O-CG 3.48Å; Y224-L227 PolarHBondContact O-N 2.89Å; Y224-K295 HydrophobicContact CE1-CB 4.31Å; Y224-K295 HydrophobicContact CE1-CG 4.47Å; Y224-W296 VanDerWaalsContact OH-CD1 3.26Å; Y224-W296 PolarHBondContact OH-NE1 2.85Å; Y224-L339 HydrophobicContact CE1-CD2 4.44Å
225	Y	96.2	Very high	97.6	Very high	134 Å²	134	26.2 Å²	26.2	53%	0.525	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-72.9	-14.7	-179.2	-67	-83.6	0	0	0	114.2	T223 H338	T223-Y225 PolarHBondContact O-N 3.49Å; T223-Y225 VanDerWaalsContact O-N 3.16Å; T223-Y225 PolarHBondContact OG1-N 3.29Å; Y225-H338 HydrophobicContact CD1-CB 3.88Å; Y225-H338 AromaticContact CD1-CD2 3.43Å; Y225-H338 VanDerWaalsContact CD1-CD2 3.43Å; Y225-H338 WeakPolarHBondContact CD1-CD2 3.48Å; Y225-H338 AromaticContact CD1-CG 3.74Å; Y225-H338 AromaticContact CE1-CD2 3.61Å; Y225-H338 WeakPolarHBondContact O-CB 3.2Å
226	N	97.3	Very high	97.5	Very high	39 Å²	39	27.7 Å²	27.7	21%	0.209	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-105.5	10.4	178.4	-70.2	-24.3	0	0	0	113	Y220 L221 T223 Y224 T228 I229 K230	Y220-N226 HydrophobicContact CD2-CB 4.25Å; L221-N226 WeakPolarHBondContact O-CB 3.33Å; L221-N226 PolarHBondContact O-ND2 3.15Å; T223-N226 PolarHBondContact O-N 3.01Å; T223-N226 PolarHBondContact OG1-N 3.35Å; T223-N226 PolarHBondContact OG1-ND2 3.38Å; Y224-N226 PolarHBondContact O-N 3.42Å; N226-T228 PolarHBondContact O-N 3.21Å; N226-I229 HydrophobicContact CB-CD1 4.21Å; N226-I229 WeakPolarHBondContact O-CB 3.42Å; N226-I229 PolarHBondContact O-N 3.48Å; N226-K230 PolarHBondContact O-N 2.86Å; N226-K230 VanDerWaalsContact O-N 3.08Å
227	L	98.1	Very high	97.5	Very high	34 Å²	34	27.7 Å²	27.7	18%	0.178	13%	0.13	C	C	.	.	H	α-helix	trans	-56.6	-37	176.9	-73.2	177.4	0	0	0	112.6	T223 Y224 I229 K230 T231 E340	T223-L227 PolarHBondContact O-N 3Å; Y224-L227 HydrophobicContact CD2-CD1 3.5Å; Y224-L227 VanDerWaalsContact CD2-CD1 3.5Å; Y224-L227 HydrophobicContact CD2-CG 4.47Å; Y224-L227 HydrophobicContact CE2-CD1 3.65Å; Y224-L227 HydrophobicContact CG-CD1 4.29Å; Y224-L227 VanDerWaalsContact O-CG 3.28Å; Y224-L227 WeakPolarHBondContact O-CG 3.48Å; Y224-L227 PolarHBondContact O-N 2.89Å; L227-I229 VanDerWaalsContact C-N 3.32Å; L227-I229 PolarHBondContact O-N 3.37Å; L227-K230 HydrophobicContact CD2-CD 4.44Å; L227-K230 CarbonylContact O-C 3.48Å; L227-K230 WeakPolarHBondContact O-CA 3.48Å; L227-K230 WeakPolarHBondContact O-CB 3.46Å; L227-K230 PolarHBondContact O-N 3.1Å; L227-K230 VanDerWaalsContact O-N 3.12Å; L227-T231 PolarHBondContact O-N 3.31Å; L227-E340 HydrophobicContact CB-CB 3.95Å; L227-E340 HydrophobicContact CB-CG 4.41Å
228	T	98.2	Very high	97.5	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-60.6	-41.4	175.6	-51.7	0	0	0	0	112.2	N226 K230 T231 L232 R336 L337 H338 E340 Y343	N226-T228 PolarHBondContact O-N 3.21Å; T228-K230 VanDerWaalsContact C-N 3.3Å; T228-K230 PolarHBondContact O-N 3.08Å; T228-T231 PolarHBondContact O-N 3.24Å; T228-L232 HydrophobicContact CG2-CD1 4.29Å; T228-L232 HydrophobicContact CG2-CG 4.49Å; T228-L232 WeakPolarHBondContact O-CB 3.49Å; T228-L232 VanDerWaalsContact O-CG 3.25Å; T228-L232 WeakPolarHBondContact O-CG 3.49Å; T228-L232 PolarHBondContact O-N 2.94Å; T228-R336 HydrophobicContact CG2-CG 3.88Å; T228-L337 VanDerWaalsContact CB-O 3.27Å; T228-L337 WeakPolarHBondContact CB-O 3.24Å; T228-L337 PolarHBondContact OG1-O 2.89Å; T228-H338 PolarHBondContact OG1-O 3.35Å; T228-E340 VanDerWaalsContact OG1-CA 3.3Å; T228-E340 WeakPolarHBondContact OG1-CA 3.28Å; T228-Y343 HydrophobicContact CG2-CD1 3.25Å; T228-Y343 HydrophobicContact CG2-CD2 4.46Å; T228-Y343 HydrophobicContact CG2-CE1 3.74Å; T228-Y343 HydrophobicContact CG2-CG 3.64Å
229	I	97.8	Very high	97.5	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-42.7	176.1	-59.1	170.4	0	0	0	109.3	F136 Y220 N226 L227 L232 M233	F136-I229 HydrophobicContact CD2-CG2 3.59Å; F136-I229 HydrophobicContact CE2-CB 4.49Å; F136-I229 HydrophobicContact CE2-CD1 3.97Å; F136-I229 HydrophobicContact CE2-CG1 4.26Å; F136-I229 HydrophobicContact CE2-CG2 3.44Å; F136-I229 VanDerWaalsContact CE2-CG2 3.44Å; F136-I229 HydrophobicContact CG-CG2 4.37Å; F136-I229 HydrophobicContact CZ-CD1 3.86Å; F136-I229 HydrophobicContact CZ-CG2 4.11Å; Y220-I229 HydrophobicContact CD1-CG2 3.53Å; Y220-I229 HydrophobicContact CD2-CG2 4.37Å; Y220-I229 HydrophobicContact CE1-CG2 3.68Å; Y220-I229 HydrophobicContact CG-CG2 3.93Å; N226-I229 HydrophobicContact CB-CD1 4.21Å; N226-I229 WeakPolarHBondContact O-CB 3.42Å; N226-I229 PolarHBondContact O-N 3.48Å; L227-I229 VanDerWaalsContact C-N 3.32Å; L227-I229 PolarHBondContact O-N 3.37Å; I229-L232 PolarHBondContact O-N 3.34Å; I229-M233 WeakPolarHBondContact O-CB 3.45Å; I229-M233 PolarHBondContact O-N 3.25Å
230	K	98.4	Very high	97.6	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-45.4	177	-177	-178.2	-69.3	-167.5	0	113.1	A158 A159 L190 Y220 D222 N226 L227 T228 M233 G234	A158-K230 HydrophobicContact CB-CD 3.8Å; A159-K230 PolarHBondContact O-NZ 3.15Å; L190-K230 HydrophobicContact CB-CD 4.03Å; L190-K230 HydrophobicContact CB-CG 3.65Å; L190-K230 HydrophobicContact CD1-CG 4.3Å; L190-K230 WeakPolarHBondContact O-CD 3.36Å; L190-K230 WeakPolarHBondContact O-CE 3.35Å; Y220-K230 HydrophobicContact CE2-CB 4.26Å; Y220-K230 WeakPolarHBondContact OH-CA 3.41Å; Y220-K230 VanDerWaalsContact OH-CB 3.24Å; Y220-K230 WeakPolarHBondContact OH-CB 3.3Å; Y220-K230 WeakPolarHBondContact OH-CG 3.35Å; D222-K230 VanDerWaalsContact OD1-CE 3.28Å; D222-K230 WeakPolarHBondContact OD1-CE 3.35Å; D222-K230 IonicContact OD1-NZ 3.4Å; D222-K230 PolarHBondContact OD1-NZ 3.18Å; D222-K230 VanDerWaalsContact OD2-CE 3.25Å; D222-K230 WeakPolarHBondContact OD2-CE 3.42Å; D222-K230 IonicContact OD2-NZ 2.72Å; D222-K230 PolarHBondContact OD2-NZ 3.42Å; N226-K230 PolarHBondContact O-N 2.86Å; N226-K230 VanDerWaalsContact O-N 3.08Å; L227-K230 HydrophobicContact CD2-CD 4.44Å; L227-K230 CarbonylContact O-C 3.48Å; L227-K230 WeakPolarHBondContact O-CA 3.48Å; L227-K230 WeakPolarHBondContact O-CB 3.46Å; L227-K230 PolarHBondContact O-N 3.1Å; L227-K230 VanDerWaalsContact O-N 3.12Å; T228-K230 VanDerWaalsContact C-N 3.3Å; T228-K230 PolarHBondContact O-N 3.08Å; K230-M233 HydrophobicContact CG-CE 4.31Å; K230-M233 WeakPolarHBondContact O-CB 3.49Å; K230-M233 PolarHBondContact O-N 3.29Å; K230-G234 PolarHBondContact O-N 2.89Å
231	T	98.7	Very high	97.7	Very high	5 Å²	5	30 Å²	30	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-45	174.9	-71.3	0	0	0	0	111.1	L227 T228 M233 G234 M235 Y317 E340 V344	L227-T231 PolarHBondContact O-N 3.31Å; T228-T231 PolarHBondContact O-N 3.24Å; T231-M233 VanDerWaalsContact C-N 3.28Å; T231-M233 PolarHBondContact O-N 2.99Å; T231-G234 WeakPolarHBondContact O-CA 3.33Å; T231-G234 PolarHBondContact O-N 3.3Å; T231-M235 HydrophobicContact CG2-CE 3.88Å; T231-M235 HydrophobicContact CG2-CG 4.14Å; T231-M235 WeakPolarHBondContact O-CG 3.24Å; T231-M235 PolarHBondContact O-N 3.31Å; T231-Y317 WeakPolarHBondContact CG2-OH 3.36Å; T231-E340 HydrophobicContact CG2-CG 4.31Å; T231-E340 WeakPolarHBondContact CG2-OE1 3.11Å; T231-E340 WeakPolarHBondContact OG1-CG 3.29Å; T231-E340 PolarHBondContact OG1-OE1 3.36Å; T231-E340 VanDerWaalsContact OG1-OE1 3.11Å; T231-V344 HydrophobicContact CG2-CG2 4.23Å
232	L	98.4	Very high	97.7	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-34.6	178.7	-69.6	179.2	0	0	0	112.5	Y134 T228 I229 M235 N236 F328 Y343	Y134-L232 HydrophobicContact CE2-CB 4.1Å; T228-L232 HydrophobicContact CG2-CD1 4.29Å; T228-L232 HydrophobicContact CG2-CG 4.49Å; T228-L232 WeakPolarHBondContact O-CB 3.49Å; T228-L232 VanDerWaalsContact O-CG 3.25Å; T228-L232 WeakPolarHBondContact O-CG 3.49Å; T228-L232 PolarHBondContact O-N 2.94Å; I229-L232 PolarHBondContact O-N 3.34Å; L232-M235 PolarHBondContact O-N 2.91Å; L232-N236 VanDerWaalsContact O-CB 3.26Å; L232-N236 WeakPolarHBondContact O-CB 3.19Å; L232-N236 PolarHBondContact O-N 3.5Å; L232-F328 HydrophobicContact CB-CD2 4.38Å; L232-F328 HydrophobicContact CD2-CD2 4.46Å; L232-Y343 HydrophobicContact CD1-CE1 4Å; L232-Y343 HydrophobicContact CD2-CE1 4.34Å
233	M	98.4	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.8	-49.9	169.5	175	-173.8	71.8	0	0	111	Y134 Y138 L190 I216 Q218 Y220 I229 K230 T231 N236 W237	Y134-M233 WeakPolarHBondContact OH-CA 3.48Å; Y134-M233 VanDerWaalsContact OH-CB 3.29Å; Y134-M233 WeakPolarHBondContact OH-CB 3.3Å; Y134-M233 PolarHBondContact OH-N 3.25Å; Y138-M233 HydrophobicContact CE1-CG 3.89Å; Y138-M233 HydrophobicContact CE1-SD 4.33Å; L190-M233 HydrophobicContact CB-CE 3.61Å; L190-M233 HydrophobicContact CD2-CE 3.88Å; L190-M233 HydrophobicContact CG-CE 4.29Å; I216-M233 HydrophobicContact CD1-CE 4.3Å; I216-M233 HydrophobicContact CD1-CG 4.24Å; I216-M233 HydrophobicContact CG1-CE 3.98Å; I216-M233 HydrophobicContact CG1-SD 4.43Å; Q218-M233 HydrophobicContact CB-SD 3.67Å; Q218-M233 VanDerWaalsContact CD-CG 3.48Å; Q218-M233 HydrophobicContact CG-CG 3.9Å; Q218-M233 HydrophobicContact CG-SD 3.51Å; Q218-M233 VanDerWaalsContact CG-SD 3.51Å; Y220-M233 HydrophobicContact CE1-SD 4.12Å; Y220-M233 WeakPolarHBondContact OH-CE 3.34Å; I229-M233 WeakPolarHBondContact O-CB 3.45Å; I229-M233 PolarHBondContact O-N 3.25Å; K230-M233 HydrophobicContact CG-CE 4.31Å; K230-M233 WeakPolarHBondContact O-CB 3.49Å; K230-M233 PolarHBondContact O-N 3.29Å; T231-M233 VanDerWaalsContact C-N 3.28Å; T231-M233 PolarHBondContact O-N 2.99Å; M233-N236 PolarHBondContact O-N 2.99Å; M233-W237 VanDerWaalsContact O-CB 3.28Å; M233-W237 WeakPolarHBondContact O-CB 3.17Å; M233-W237 PolarHBondContact O-N 3.45Å
234	G	98.6	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-43.9	177	0	0	0	0	0	112.9	K230 T231 W237 V238	K230-G234 PolarHBondContact O-N 2.89Å; T231-G234 WeakPolarHBondContact O-CA 3.33Å; T231-G234 PolarHBondContact O-N 3.3Å; G234-W237 PolarHBondContact O-N 2.96Å; G234-V238 WeakPolarHBondContact O-CG2 3.35Å; G234-V238 PolarHBondContact O-N 2.97Å
235	M	98.4	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-47.3	177.2	-64.5	-68.4	-179.1	0	0	111.6	T231 L232 V238 A239 Y317 F319 A324 I327 F328	T231-M235 HydrophobicContact CG2-CE 3.88Å; T231-M235 HydrophobicContact CG2-CG 4.14Å; T231-M235 WeakPolarHBondContact O-CG 3.24Å; T231-M235 PolarHBondContact O-N 3.31Å; L232-M235 PolarHBondContact O-N 2.91Å; M235-V238 PolarHBondContact O-N 3.19Å; M235-A239 WeakPolarHBondContact O-CB 3.25Å; M235-A239 PolarHBondContact O-N 2.95Å; M235-Y317 HydrophobicContact CE-CE2 4.12Å; M235-F319 HydrophobicContact CE-CD1 4.39Å; M235-F319 HydrophobicContact CE-CE1 3.58Å; M235-F319 HydrophobicContact CE-CE2 3.93Å; M235-F319 HydrophobicContact CE-CZ 3.29Å; M235-F319 HydrophobicContact SD-CE1 4.15Å; M235-F319 HydrophobicContact SD-CE2 3.48Å; M235-F319 WeakPolarHBondContact SD-CE2 3.32Å; M235-F319 HydrophobicContact SD-CZ 3.23Å; M235-F319 WeakPolarHBondContact SD-CZ 3.46Å; M235-A324 HydrophobicContact SD-CB 4.31Å; M235-I327 HydrophobicContact CE-CD1 4.49Å; M235-F328 HydrophobicContact CB-CB 4.34Å
236	N	97.9	Very high	97.6	Very high	30 Å²	30	28 Å²	28	16%	0.16	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-42	178.2	-173.2	42.3	0	0	0	111.7	L232 M233 A239 T240 F328	L232-N236 VanDerWaalsContact O-CB 3.26Å; L232-N236 WeakPolarHBondContact O-CB 3.19Å; L232-N236 PolarHBondContact O-N 3.5Å; M233-N236 PolarHBondContact O-N 2.99Å; N236-A239 PolarHBondContact O-N 3.33Å; N236-T240 VanDerWaalsContact O-CB 3.28Å; N236-T240 WeakPolarHBondContact O-CB 3.28Å; N236-T240 PolarHBondContact O-N 3.26Å; N236-T240 PolarHBondContact O-OG1 2.99Å; N236-F328 HydrophobicContact CB-CD1 4.18Å; N236-F328 HydrophobicContact CB-CD2 3.65Å; N236-F328 HydrophobicContact CB-CE1 4.12Å; N236-F328 HydrophobicContact CB-CE2 3.58Å; N236-F328 HydrophobicContact CB-CG 3.95Å; N236-F328 HydrophobicContact CB-CZ 3.82Å; N236-F328 VanDerWaalsContact CG-CZ 3.49Å; N236-F328 WeakPolarHBondContact OD1-CD1 3.3Å; N236-F328 WeakPolarHBondContact OD1-CE1 3.2Å; N236-F328 WeakPolarHBondContact OD1-CZ 3.13Å
237	W	98.2	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.4	-47	177.6	-175.1	88.8	0	0	0	111.4	N141 E142 K145 I154 I188 I216 M233 G234 T240 Y241 C242	N141-W237 PolarHBondContact O-NE1 2.8Å; E142-W237 HydrophobicContact CB-CZ2 4.39Å; E142-W237 WeakPolarHBondContact O-CZ2 3.4Å; K145-W237 HydrophobicContact CB-CH2 3.95Å; K145-W237 HydrophobicContact CB-CZ2 3.98Å; K145-W237 HydrophobicContact CG-CH2 4.25Å; I154-W237 HydrophobicContact CD1-CZ3 4.28Å; I188-W237 HydrophobicContact CD1-CH2 3.74Å; I188-W237 HydrophobicContact CD1-CZ2 4.02Å; I188-W237 HydrophobicContact CD1-CZ3 4.27Å; I188-W237 HydrophobicContact CG1-CE3 4.44Å; I188-W237 HydrophobicContact CG1-CH2 3.76Å; I188-W237 HydrophobicContact CG1-CZ2 4.41Å; I188-W237 HydrophobicContact CG1-CZ3 3.78Å; I216-W237 HydrophobicContact CD1-CB 3.61Å; I216-W237 HydrophobicContact CD1-CD2 4.08Å; I216-W237 HydrophobicContact CD1-CG 3.52Å; I216-W237 HydrophobicContact CG2-CD2 4.45Å; I216-W237 HydrophobicContact CG2-CG 4.38Å; M233-W237 VanDerWaalsContact O-CB 3.28Å; M233-W237 WeakPolarHBondContact O-CB 3.17Å; M233-W237 PolarHBondContact O-N 3.45Å; G234-W237 PolarHBondContact O-N 2.96Å; W237-T240 PolarHBondContact O-N 3.45Å; W237-Y241 AromaticContact CD1-CD2 3.39Å; W237-Y241 AromaticContact CD1-CE2 3.66Å; W237-Y241 HydrophobicContact CD2-CD2 4.2Å; W237-Y241 AromaticContact CE2-CD2 3.91Å; W237-Y241 AromaticContact CG-CD2 3.9Å; W237-Y241 HydrophobicContact CG-CD2 3.9Å; W237-Y241 HydrophobicContact CG-CE2 4.45Å; W237-Y241 AromaticContact NE1-CD2 3.37Å; W237-Y241 AromaticContact NE1-CE2 3.85Å; W237-Y241 WeakPolarHBondContact O-CD2 3.32Å; W237-Y241 PolarHBondContact O-N 3.21Å; W237-C242 VanDerWaalsContact CZ3-SG 3.59Å
238	V	98.3	Very high	97.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-47.3	175.5	171.6	0	0	0	0	111.3	I154 L156 G234 M235 T240 C242 I245 V248 A324	I154-V238 HydrophobicContact CD1-CG1 4.39Å; I154-V238 HydrophobicContact CD1-CG2 4.11Å; I154-V238 HydrophobicContact CG2-CG2 4.15Å; L156-V238 HydrophobicContact CD1-CG2 4Å; L156-V238 HydrophobicContact CD2-CG2 3.92Å; L156-V238 HydrophobicContact CG-CG2 4.31Å; G234-V238 WeakPolarHBondContact O-CG2 3.35Å; G234-V238 PolarHBondContact O-N 2.97Å; M235-V238 PolarHBondContact O-N 3.19Å; V238-T240 PolarHBondContact O-N 3.07Å; V238-C242 HydrophobicContact CG1-CB 4.43Å; V238-C242 CarbonylContact O-C 3.5Å; V238-C242 VanDerWaalsContact O-CA 3.29Å; V238-C242 WeakPolarHBondContact O-CA 3.45Å; V238-C242 PolarHBondContact O-N 3.24Å; V238-I245 HydrophobicContact CG1-CG2 3.58Å; V238-V248 HydrophobicContact CG1-CG2 3.86Å; V238-V248 HydrophobicContact CG2-CG1 4.39Å; V238-V248 HydrophobicContact CG2-CG2 4.42Å; V238-A324 HydrophobicContact CB-CB 4.07Å; V238-A324 HydrophobicContact CG1-CB 3.82Å
239	A	97.6	Very high	97.8	Very high	19 Å²	19	24.6 Å²	24.6	16%	0.157	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-34.7	179.2	0	0	0	0	0	112.6	M235 N236 E325	M235-A239 WeakPolarHBondContact O-CB 3.25Å; M235-A239 PolarHBondContact O-N 2.95Å; N236-A239 PolarHBondContact O-N 3.33Å; A239-E325 HydrophobicContact CB-CB 3.74Å; A239-E325 HydrophobicContact CB-CG 4.17Å
240	T	96.9	Very high	97.8	Very high	72 Å²	72	24.4 Å²	24.4	44%	0.442	13%	0.131	S	C	.	.	H	α-helix	trans	-81.5	-47.1	-176.4	-56.9	0	0	0	0	112.2	N236 W237 V238	N236-T240 VanDerWaalsContact O-CB 3.28Å; N236-T240 WeakPolarHBondContact O-CB 3.28Å; N236-T240 PolarHBondContact O-N 3.26Å; N236-T240 PolarHBondContact O-OG1 2.99Å; W237-T240 PolarHBondContact O-N 3.45Å; V238-T240 PolarHBondContact O-N 3.07Å
241	Y	97	Very high	97.9	Very high	63 Å²	63	24.2 Å²	24.2	25%	0.247	13%	0.13	C	C	.	.	H	α-helix	trans	-105.9	-15.7	-169.1	-59.7	-65.6	0	0	0	114	N141 P143 C146 W237 P243	N141-Y241 PolarHBondContact ND2-OH 2.93Å; N141-Y241 VanDerWaalsContact OD1-CE2 3.31Å; N141-Y241 WeakPolarHBondContact OD1-CE2 3.33Å; P143-Y241 HydrophobicContact CB-CD1 3.78Å; P143-Y241 HydrophobicContact CB-CE1 3.46Å; P143-Y241 VanDerWaalsContact CB-CE1 3.46Å; P143-Y241 HydrophobicContact CB-CG 4.5Å; C146-Y241 VanDerWaalsContact CB-O 3.24Å; C146-Y241 WeakPolarHBondContact CB-O 3.44Å; W237-Y241 AromaticContact CD1-CD2 3.39Å; W237-Y241 AromaticContact CD1-CE2 3.66Å; W237-Y241 HydrophobicContact CD2-CD2 4.2Å; W237-Y241 AromaticContact CE2-CD2 3.91Å; W237-Y241 AromaticContact CG-CD2 3.9Å; W237-Y241 HydrophobicContact CG-CD2 3.9Å; W237-Y241 HydrophobicContact CG-CE2 4.45Å; W237-Y241 AromaticContact NE1-CD2 3.37Å; W237-Y241 AromaticContact NE1-CE2 3.85Å; W237-Y241 WeakPolarHBondContact O-CD2 3.32Å; W237-Y241 PolarHBondContact O-N 3.21Å; Y241-P243 VanDerWaalsContact C-CD 3.48Å
242	C	97.2	Very high	97.9	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.041	14%	0.137	C	C	.	.			trans	-134.8	50.3	-178	-45.5	0	0	0	0	112.6	C146 I154 W237 V238 H244 I245	C146-C242 HydrophobicContact CB-CB 3.79Å; C146-C242 WeakPolarHBondContact CB-SG 3.41Å; C146-C242 WeakPolarHBondContact SG-CB 3.46Å; C146-C242 CovalentContact SG-SG 2.04Å; C146-C242 PolarHBondContact SG-SG 3.02Å; I154-C242 HydrophobicContact CD1-CB 3.66Å; I154-C242 VanDerWaalsContact CD1-SG 3.59Å; W237-C242 VanDerWaalsContact CZ3-SG 3.59Å; V238-C242 HydrophobicContact CG1-CB 4.43Å; V238-C242 CarbonylContact O-C 3.5Å; V238-C242 VanDerWaalsContact O-CA 3.29Å; V238-C242 WeakPolarHBondContact O-CA 3.45Å; V238-C242 PolarHBondContact O-N 3.24Å; C242-H244 PolarHBondContact O-N 3.46Å; C242-I245 HydrophobicContact CB-CB 4.43Å; C242-I245 WeakPolarHBondContact O-CB 3.43Å; C242-I245 VanDerWaalsContact O-CG2 3.26Å; C242-I245 WeakPolarHBondContact O-CG2 3.34Å; C242-I245 PolarHBondContact O-N 3.49Å; C242-I245 VanDerWaalsContact O-N 3.13Å
243	P	94.6	Very high	97.9	Very high	80 Å²	80	25.5 Å²	25.5	52%	0.519	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19	-168	22.5	-32	0	0	0	115.3	Y241	Y241-P243 VanDerWaalsContact C-CD 3.48Å
244	H	94.9	Very high	97.9	Very high	176 Å²	176	27.9 Å²	27.9	82%	0.815	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	10.6	-179	-59.2	-93.3	0	0	0	113.7	C242	C242-H244 PolarHBondContact O-N 3.46Å
245	I	97.5	Very high	97.9	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.062	15%	0.151	C	C	.	.			trans	-60.2	134.4	-179.3	-175.2	75.6	0	0	0	111.2	P151 I154 V238 C242 Y247 V248 G321	P151-I245 HydrophobicContact CB-CD1 3.65Å; P151-I245 HydrophobicContact CG-CD1 3.62Å; P151-I245 WeakPolarHBondContact O-CD1 3.38Å; I154-I245 HydrophobicContact CD1-CB 4.26Å; I154-I245 HydrophobicContact CD1-CD1 3.84Å; I154-I245 HydrophobicContact CD1-CG1 3.89Å; I154-I245 HydrophobicContact CG1-CD1 3.78Å; I154-I245 HydrophobicContact CG1-CG1 4.13Å; V238-I245 HydrophobicContact CG1-CG2 3.58Å; C242-I245 HydrophobicContact CB-CB 4.43Å; C242-I245 WeakPolarHBondContact O-CB 3.43Å; C242-I245 VanDerWaalsContact O-CG2 3.26Å; C242-I245 WeakPolarHBondContact O-CG2 3.34Å; C242-I245 PolarHBondContact O-N 3.49Å; C242-I245 VanDerWaalsContact O-N 3.13Å; I245-Y247 VanDerWaalsContact CG1-O 3.23Å; I245-Y247 WeakPolarHBondContact CG1-O 3.41Å; I245-V248 HydrophobicContact CG1-CG2 4.38Å; I245-V248 HydrophobicContact CG2-CG2 3.91Å; I245-G321 VanDerWaalsContact O-CA 3.29Å; I245-G321 WeakPolarHBondContact O-CA 3.32Å
246	P	98.2	Very high	97.9	Very high	29 Å²	29	27.9 Å²	27.9	19%	0.188	15%	0.151	C	C	.	.	S	Bend	trans	-66.5	-50.8	174.9	-26.1	36.8	0	0	0	113.1	P151 F152 P273 S320 G321	P151-P246 WeakPolarHBondContact O-CD 3.42Å; F152-P246 HydrophobicContact CD2-CB 4.07Å; F152-P246 HydrophobicContact CD2-CG 4Å; F152-P246 HydrophobicContact CE2-CB 4.2Å; P246-P273 HydrophobicContact CB-CB 4.03Å; P246-P273 HydrophobicContact CB-CG 3.87Å; P246-P273 HydrophobicContact CG-CG 4.33Å; P246-S320 CarbonylContact O-C 3.13Å; P246-S320 WeakPolarHBondContact O-CA 2.99Å; P246-G321 PolarHBondContact O-N 3.44Å
247	Y	98.8	Very high	97.9	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152	-174	-62.6	-72.1	0	0	0	113	F152 L153 I154 I245 L267 P273 R274 Y277 F319	F152-Y247 HydrophobicContact CE1-CD2 4.03Å; F152-Y247 HydrophobicContact CE1-CE2 4.49Å; F152-Y247 AromaticContact CE2-CD2 3.96Å; F152-Y247 HydrophobicContact CE2-CD2 3.96Å; F152-Y247 AromaticContact CE2-CE2 3.99Å; F152-Y247 HydrophobicContact CE2-CE2 3.99Å; F152-Y247 AromaticContact CZ-CD2 3.6Å; F152-Y247 HydrophobicContact CZ-CD2 3.6Å; F152-Y247 AromaticContact CZ-CE2 3.68Å; F152-Y247 HydrophobicContact CZ-CE2 3.68Å; F152-Y247 PolarHBondContact O-N 3Å; L153-Y247 WeakPolarHBondContact CA-O 3.02Å; I154-Y247 PolarHBondContact N-O 3.32Å; I245-Y247 VanDerWaalsContact CG1-O 3.23Å; I245-Y247 WeakPolarHBondContact CG1-O 3.41Å; Y247-L267 HydrophobicContact CD1-CD2 3.61Å; Y247-L267 HydrophobicContact CD2-CB 4.14Å; Y247-L267 HydrophobicContact CD2-CD1 3.94Å; Y247-L267 HydrophobicContact CD2-CD2 3.86Å; Y247-L267 HydrophobicContact CD2-CG 4.2Å; Y247-L267 HydrophobicContact CE1-CD2 3.79Å; Y247-L267 HydrophobicContact CE2-CB 4.07Å; Y247-L267 HydrophobicContact CE2-CD2 4.02Å; Y247-L267 HydrophobicContact CE2-CG 4.48Å; Y247-L267 HydrophobicContact CG-CD1 3.95Å; Y247-L267 HydrophobicContact CG-CD2 3.64Å; Y247-L267 HydrophobicContact CG-CG 4.3Å; Y247-P273 HydrophobicContact CE2-CB 4.33Å; Y247-P273 WeakPolarHBondContact OH-CA 3.36Å; Y247-R274 HydrophobicContact CE1-CB 4.46Å; Y247-R274 PolarHBondContact OH-N 3.26Å; Y247-Y277 HydrophobicContact CE1-CD1 4.12Å; Y247-F319 WeakPolarHBondContact CA-O 3.44Å
248	V	98.9	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.2	175.3	-173.2	0	0	0	0	108.2	I154 L156 V238 I245 V318 F319	I154-V248 HydrophobicContact CB-CG1 4.41Å; I154-V248 HydrophobicContact CG2-CG1 4.42Å; I154-V248 CarbonylContact O-C 3.57Å; I154-V248 WeakPolarHBondContact O-CA 3.45Å; L156-V248 HydrophobicContact CD1-CG1 3.6Å; L156-V248 HydrophobicContact CG-CG1 3.73Å; V238-V248 HydrophobicContact CG1-CG2 3.86Å; V238-V248 HydrophobicContact CG2-CG1 4.39Å; V238-V248 HydrophobicContact CG2-CG2 4.42Å; I245-V248 HydrophobicContact CG1-CG2 4.38Å; I245-V248 HydrophobicContact CG2-CG2 3.91Å; V248-V318 CarbonylContact O-C 3.56Å; V248-V318 WeakPolarHBondContact O-CA 3.35Å; V248-F319 HydrophobicContact CB-CD1 4.33Å; V248-F319 HydrophobicContact CB-CD2 4.08Å; V248-F319 HydrophobicContact CB-CE1 3.8Å; V248-F319 HydrophobicContact CB-CE2 3.54Å; V248-F319 HydrophobicContact CB-CG 4.45Å; V248-F319 HydrophobicContact CB-CZ 3.37Å; V248-F319 HydrophobicContact CG1-CE1 3.75Å; V248-F319 HydrophobicContact CG1-CE2 3.94Å; V248-F319 HydrophobicContact CG1-CZ 3.29Å; V248-F319 HydrophobicContact CG2-CE2 3.91Å; V248-F319 HydrophobicContact CG2-CZ 4.15Å; V248-F319 PolarHBondContact N-O 3.35Å; V248-F319 WeakPolarHBondContact O-CD1 3.39Å; V248-F319 PolarHBondContact O-N 3.14Å
249	M	98.9	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.1	168	178.6	171.7	178.4	0	0	108.7	L153 I154 L155 L156 T251 V257 L262 Y317 V318 T381	L153-M249 HydrophobicContact CD1-CB 4.21Å; I154-M249 PolarHBondContact O-N 3.47Å; L155-M249 HydrophobicContact CD2-CB 3.89Å; L155-M249 HydrophobicContact CD2-CG 4.42Å; L155-M249 HydrophobicContact CD2-SD 4.12Å; L156-M249 PolarHBondContact N-O 3.21Å; M249-T251 HydrophobicContact CE-CG2 4.31Å; M249-V257 HydrophobicContact CE-CB 4.31Å; M249-V257 HydrophobicContact CE-CG1 3.65Å; M249-V257 HydrophobicContact CE-CG2 3.61Å; M249-V257 HydrophobicContact SD-CG1 3.82Å; M249-L262 HydrophobicContact SD-CD2 3.41Å; M249-L262 WeakPolarHBondContact SD-CD2 3.46Å; M249-Y317 WeakPolarHBondContact CA-O 3.43Å; M249-V318 HydrophobicContact CB-CG2 4.01Å; M249-V318 HydrophobicContact CG-CG2 3.9Å; M249-V318 HydrophobicContact SD-CG2 4.23Å; M249-T381 HydrophobicContact CE-CG2 3.75Å
250	K	98.9	Very high	97.8	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.017	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138	162.5	-176.5	-93.7	165.2	173.9	0	108.9	L156 D252 G314 G316 Y317 F319 E340	L156-K250 WeakPolarHBondContact O-CA 3.28Å; K250-D252 WeakPolarHBondContact CE-OD1 3.46Å; K250-D252 IonicContact NZ-OD1 3.61Å; K250-D252 PolarHBondContact NZ-OD1 2.99Å; K250-G314 PolarHBondContact NZ-O 3.28Å; K250-G316 VanDerWaalsContact O-CA 3.22Å; K250-G316 WeakPolarHBondContact O-CA 3.49Å; K250-Y317 HydrophobicContact CB-CD2 4.19Å; K250-Y317 HydrophobicContact CB-CE1 4.23Å; K250-Y317 HydrophobicContact CB-CE2 3.56Å; K250-Y317 HydrophobicContact CD-CD1 4.46Å; K250-Y317 HydrophobicContact CD-CE1 3.65Å; K250-Y317 HydrophobicContact CG-CE1 4.38Å; K250-Y317 HydrophobicContact CG-CE2 4.4Å; K250-Y317 PolarHBondContact N-O 3.46Å; K250-Y317 PolarHBondContact O-N 2.8Å; K250-F319 HydrophobicContact CB-CE1 4.48Å; K250-E340 IonicContact NZ-OE2 3.99Å; K250-E340 PolarHBondContact NZ-OE2 3.41Å
251	T	98.8	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	164.4	177	-169.1	0	0	0	0	111.2	L156 I157 A158 W174 M249 M255 V257 T315	L156-T251 PolarHBondContact O-N 2.79Å; I157-T251 WeakPolarHBondContact CA-O 3.47Å; I157-T251 HydrophobicContact CG1-CG2 4.03Å; A158-T251 PolarHBondContact N-O 3.42Å; W174-T251 HydrophobicContact CH2-CG2 3.68Å; W174-T251 HydrophobicContact CZ3-CG2 4.09Å; M249-T251 HydrophobicContact CE-CG2 4.31Å; T251-M255 WeakPolarHBondContact OG1-CB 3.42Å; T251-M255 WeakPolarHBondContact OG1-CG 3.37Å; T251-V257 HydrophobicContact CG2-CG2 4.42Å; T251-T315 PolarHBondContact OG1-O 2.94Å
252	D	98.6	Very high	97.9	Very high	33 Å²	33	23.5 Å²	23.5	18%	0.176	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	163.3	175.3	-57.2	-27.4	0	0	0	111.5	K250 D254 M255	K250-D252 WeakPolarHBondContact CE-OD1 3.46Å; K250-D252 IonicContact NZ-OD1 3.61Å; K250-D252 PolarHBondContact NZ-OD1 2.99Å; D252-D254 VanDerWaalsContact C-N 3.31Å; D252-D254 PolarHBondContact O-N 3.01Å; D252-M255 HydrophobicContact CB-CG 4.05Å; D252-M255 WeakPolarHBondContact O-CB 3.44Å; D252-M255 WeakPolarHBondContact O-CG 3.37Å
253	S	98.5	Very high	97.9	Very high	8 Å²	8	23.2 Å²	23.2	6%	0.056	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.9	-176.1	62.6	0	0	0	0	115	A158 Q163	A158-S253 WeakPolarHBondContact O-CB 2.96Å; A158-S253 PolarHBondContact O-N 3.33Å; Q163-S253 PolarHBondContact OE1-OG 2.66Å
254	D	98.5	Very high	97.9	Very high	49 Å²	49	23.1 Å²	23.1	26%	0.262	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	18.7	177.9	70.9	-23.4	0	0	0	112.6	D252 H383 Q384 F385	D252-D254 VanDerWaalsContact C-N 3.31Å; D252-D254 PolarHBondContact O-N 3.01Å; D254-H383 IonicContact OD1-CD2 3.52Å; D254-H383 IonicContact OD1-NE2 2.94Å; D254-H383 IonicContact OD2-CD2 3.24Å; D254-H383 PolarHBondContact OD2-CD2 2.75Å; D254-H383 IonicContact OD2-NE2 3.84Å; D254-H383 PolarHBondContact OD2-NE2 3.1Å; D254-Q384 PolarHBondContact O-N 2.94Å; D254-F385 PolarHBondContact O-N 3.35Å
255	M	98.7	Very high	98	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.			trans	-96.7	141.3	179.9	-63.7	-64.1	-63.5	0	0	111.7	W174 T251 D252 V257 T315 T381 H383 L390	W174-M255 PolarHBondContact NE1-O 2.88Å; T251-M255 WeakPolarHBondContact OG1-CB 3.42Å; T251-M255 WeakPolarHBondContact OG1-CG 3.37Å; D252-M255 HydrophobicContact CB-CG 4.05Å; D252-M255 WeakPolarHBondContact O-CB 3.44Å; D252-M255 WeakPolarHBondContact O-CG 3.37Å; M255-V257 HydrophobicContact CB-CG2 4.37Å; M255-T315 WeakPolarHBondContact CE-O 3.31Å; M255-T315 WeakPolarHBondContact CG-O 3.38Å; M255-T315 HydrophobicContact SD-CG2 4.35Å; M255-T381 HydrophobicContact CE-CG2 4.12Å; M255-H383 HydrophobicContact CE-CB 4.09Å; M255-H383 VanDerWaalsContact SD-CA 3.51Å; M255-H383 HydrophobicContact SD-CB 3.58Å; M255-H383 VanDerWaalsContact SD-CB 3.58Å; M255-H383 PolarHBondContact SD-CD2 3.43Å; M255-L390 WeakPolarHBondContact O-CD2 3.43Å
256	F	98.7	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.5	156.3	-179	-79.1	0	0	0	108.7	N258 Y376 L379 T381 S382 F385 L390 W394 L397	F256-N258 HydrophobicContact CE1-CB 4.11Å; F256-Y376 HydrophobicContact CB-CE1 4.29Å; F256-Y376 AromaticContact CD1-CD1 3.67Å; F256-Y376 HydrophobicContact CD1-CD1 3.67Å; F256-Y376 AromaticContact CD1-CE1 3.83Å; F256-Y376 HydrophobicContact CD1-CE1 3.83Å; F256-Y376 HydrophobicContact CD2-CD1 4.18Å; F256-Y376 HydrophobicContact CD2-CE1 4.16Å; F256-Y376 AromaticContact CE1-CD1 3.58Å; F256-Y376 HydrophobicContact CE1-CD1 3.58Å; F256-Y376 HydrophobicContact CE1-CE1 4.22Å; F256-Y376 HydrophobicContact CE2-CD1 4.07Å; F256-Y376 HydrophobicContact CE2-CE1 4.5Å; F256-Y376 AromaticContact CG-CD1 4Å; F256-Y376 HydrophobicContact CG-CD1 4Å; F256-Y376 AromaticContact CG-CE1 3.82Å; F256-Y376 HydrophobicContact CG-CE1 3.82Å; F256-Y376 AromaticContact CZ-CD1 3.8Å; F256-Y376 HydrophobicContact CZ-CD1 3.8Å; F256-L379 HydrophobicContact CD1-CD1 4.25Å; F256-L379 HydrophobicContact CE1-CD1 4.43Å; F256-T381 VanDerWaalsContact O-CA 3.32Å; F256-T381 WeakPolarHBondContact O-CA 3.48Å; F256-S382 PolarHBondContact N-O 3.03Å; F256-S382 PolarHBondContact O-N 3.34Å; F256-S382 VanDerWaalsContact O-N 3.1Å; F256-F385 HydrophobicContact CB-CD1 4.39Å; F256-F385 HydrophobicContact CB-CD2 3.93Å; F256-F385 HydrophobicContact CB-CE1 3.96Å; F256-F385 HydrophobicContact CB-CE2 3.5Å; F256-F385 HydrophobicContact CB-CG 4.35Å; F256-F385 HydrophobicContact CB-CZ 3.5Å; F256-F385 VanDerWaalsContact CB-CZ 3.5Å; F256-F385 HydrophobicContact CD2-CE1 4.27Å; F256-F385 HydrophobicContact CD2-CZ 4.42Å; F256-F385 HydrophobicContact CG-CE1 4.46Å; F256-F385 HydrophobicContact CG-CZ 4.18Å; F256-L390 HydrophobicContact CB-CD2 4Å; F256-L390 HydrophobicContact CD2-CD2 4.27Å; F256-W394 HydrophobicContact CE1-CZ3 4.49Å; F256-W394 HydrophobicContact CE2-CB 4.5Å; F256-W394 AromaticContact CE2-CE3 3.67Å; F256-W394 HydrophobicContact CE2-CE3 3.67Å; F256-W394 HydrophobicContact CE2-CZ3 4.35Å; F256-W394 AromaticContact CZ-CE3 3.62Å; F256-W394 HydrophobicContact CZ-CE3 3.62Å; F256-W394 AromaticContact CZ-CZ3 3.88Å; F256-W394 HydrophobicContact CZ-CZ3 3.88Å; F256-L397 HydrophobicContact CE1-CD2 4.42Å; F256-L397 HydrophobicContact CZ-CD2 3.74Å
257	V	98.7	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.3	174.3	-175	0	0	0	0	110	W174 M249 T251 M255 T259 I380 T381 W394	W174-V257 HydrophobicContact CB-CB 4.22Å; W174-V257 WeakPolarHBondContact CB-O 3.07Å; W174-V257 HydrophobicContact CD2-CB 3.8Å; W174-V257 HydrophobicContact CD2-CG2 3.98Å; W174-V257 HydrophobicContact CE3-CB 3.76Å; W174-V257 HydrophobicContact CE3-CG2 3.88Å; W174-V257 HydrophobicContact CG-CB 4.03Å; W174-V257 HydrophobicContact CH2-CG2 4.21Å; W174-V257 HydrophobicContact CZ2-CG2 4.26Å; W174-V257 HydrophobicContact CZ3-CB 4.37Å; W174-V257 HydrophobicContact CZ3-CG2 4.02Å; M249-V257 HydrophobicContact CE-CB 4.31Å; M249-V257 HydrophobicContact CE-CG1 3.65Å; M249-V257 HydrophobicContact CE-CG2 3.61Å; M249-V257 HydrophobicContact SD-CG1 3.82Å; T251-V257 HydrophobicContact CG2-CG2 4.42Å; M255-V257 HydrophobicContact CB-CG2 4.37Å; V257-T259 VanDerWaalsContact C-N 3.3Å; V257-T259 PolarHBondContact O-N 2.88Å; V257-T259 VanDerWaalsContact O-N 3.12Å; V257-I380 CarbonylContact C-O 3.49Å; V257-I380 VanDerWaalsContact CA-O 3.23Å; V257-I380 WeakPolarHBondContact CA-O 3.36Å; V257-I380 HydrophobicContact CG1-CG2 4.46Å; V257-T381 HydrophobicContact CG2-CG2 4.42Å; V257-W394 VanDerWaalsContact O-CZ3 3.3Å; V257-W394 WeakPolarHBondContact O-CZ3 3.4Å
258	N	97.9	Very high	97.9	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.053	11%	0.113	C	C	.	.			trans	-84.1	79.8	165.9	-169.1	-24.2	0	0	0	109.2	F256 E260 Y261 L262 Y376 L379 I380	F256-N258 HydrophobicContact CE1-CB 4.11Å; N258-E260 PolarHBondContact O-N 2.85Å; N258-E260 PolarHBondContact OD1-N 2.82Å; N258-Y261 VanDerWaalsContact CG-CB 3.43Å; N258-Y261 PolarHBondContact O-N 2.86Å; N258-Y261 VanDerWaalsContact O-N 3.13Å; N258-Y261 WeakPolarHBondContact OD1-CB 3.42Å; N258-Y261 PolarHBondContact OD1-N 2.94Å; N258-L262 PolarHBondContact O-N 2.83Å; N258-Y376 PolarHBondContact ND2-O 2.99Å; N258-L379 WeakPolarHBondContact CB-O 3.24Å; N258-I380 PolarHBondContact N-O 2.6Å
259	T	98.1	Very high	97.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.8	-33	-176.2	-53.2	0	0	0	0	112.2	L153 W174 L179 I185 V257 L262 I263	L153-T259 HydrophobicContact CD2-CG2 4.48Å; W174-T259 WeakPolarHBondContact O-CB 3.28Å; W174-T259 PolarHBondContact O-OG1 3.22Å; L179-T259 HydrophobicContact CD2-CG2 4.23Å; I185-T259 HydrophobicContact CD1-CG2 3.94Å; V257-T259 VanDerWaalsContact C-N 3.3Å; V257-T259 PolarHBondContact O-N 2.88Å; V257-T259 VanDerWaalsContact O-N 3.12Å; T259-L262 WeakPolarHBondContact O-CB 3.28Å; T259-L262 PolarHBondContact O-N 2.93Å; T259-I263 HydrophobicContact CG2-CD1 3.91Å; T259-I263 VanDerWaalsContact O-CG1 3.29Å; T259-I263 WeakPolarHBondContact O-CG1 3.14Å; T259-I263 PolarHBondContact O-N 2.75Å
260	E	96.1	Very high	97.6	Very high	24 Å²	24	33.1 Å²	33.1	11%	0.112	16%	0.164	C	C	.	.	H	α-helix	trans	-69.3	-42	176.7	-57.9	-168.1	73.6	0	0	112.6	L179 N258 I263 N264 Q398 K401	L179-E260 HydrophobicContact CD1-CG 4.15Å; L179-E260 HydrophobicContact CD2-CG 3.85Å; L179-E260 HydrophobicContact CG-CG 3.76Å; N258-E260 PolarHBondContact O-N 2.85Å; N258-E260 PolarHBondContact OD1-N 2.82Å; E260-I263 PolarHBondContact O-N 3.19Å; E260-N264 VanDerWaalsContact O-CB 3.27Å; E260-N264 WeakPolarHBondContact O-CB 3.44Å; E260-N264 PolarHBondContact O-N 3.5Å; E260-N264 PolarHBondContact O-ND2 3.36Å; E260-N264 VanDerWaalsContact O-ND2 3.09Å; E260-Q398 PolarHBondContact OE2-NE2 3.14Å; E260-Q398 PolarHBondContact OE2-OE1 3.43Å; E260-K401 WeakPolarHBondContact OE1-CE 3.01Å; E260-K401 IonicContact OE1-NZ 2.56Å; E260-K401 PolarHBondContact OE1-NZ 3.31Å; E260-K401 WeakPolarHBondContact OE2-CE 3.28Å; E260-K401 IonicContact OE2-NZ 2.83Å; E260-K401 PolarHBondContact OE2-NZ 3.34Å
261	Y	96.3	Very high	97.5	Very high	59 Å²	59	37.4 Å²	37.4	23%	0.231	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-42.1	175.1	-171.7	-80.4	0	0	0	110.7	N258 I263 K265 L266 V363 S377 I380	N258-Y261 VanDerWaalsContact CG-CB 3.43Å; N258-Y261 PolarHBondContact O-N 2.86Å; N258-Y261 VanDerWaalsContact O-N 3.13Å; N258-Y261 WeakPolarHBondContact OD1-CB 3.42Å; N258-Y261 PolarHBondContact OD1-N 2.94Å; Y261-I263 PolarHBondContact O-N 2.82Å; Y261-K265 HydrophobicContact CD1-CB 4.03Å; Y261-K265 HydrophobicContact CD1-CG 4.42Å; Y261-K265 HydrophobicContact CD2-CB 4.26Å; Y261-K265 HydrophobicContact CD2-CG 3.77Å; Y261-K265 HydrophobicContact CE1-CB 3.87Å; Y261-K265 HydrophobicContact CE1-CG 4.42Å; Y261-K265 HydrophobicContact CE2-CB 4.1Å; Y261-K265 HydrophobicContact CE2-CG 3.75Å; Y261-K265 HydrophobicContact CG-CB 4.22Å; Y261-K265 HydrophobicContact CG-CG 4.12Å; Y261-K265 WeakPolarHBondContact O-CA 3.4Å; Y261-K265 VanDerWaalsContact O-CB 3.26Å; Y261-K265 WeakPolarHBondContact O-CB 3.37Å; Y261-K265 PolarHBondContact O-N 3.06Å; Y261-L266 PolarHBondContact O-N 2.79Å; Y261-V363 HydrophobicContact CE1-CG1 4.06Å; Y261-S377 VanDerWaalsContact CD2-O 3.31Å; Y261-S377 WeakPolarHBondContact CD2-O 3.08Å; Y261-I380 HydrophobicContact CD1-CD1 4.26Å; Y261-I380 HydrophobicContact CD1-CG1 3.6Å; Y261-I380 HydrophobicContact CE1-CG1 4.15Å
262	L	98.2	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-53.2	-54.4	173.2	167.5	58.2	0	0	0	111.1	L153 M249 N258 T259 L266 L267 V318 I380	L153-L262 HydrophobicContact CD2-CD2 3.9Å; L153-L262 HydrophobicContact CD2-CG 4.44Å; M249-L262 HydrophobicContact SD-CD2 3.41Å; M249-L262 WeakPolarHBondContact SD-CD2 3.46Å; N258-L262 PolarHBondContact O-N 2.83Å; T259-L262 WeakPolarHBondContact O-CB 3.28Å; T259-L262 PolarHBondContact O-N 2.93Å; L262-L266 HydrophobicContact CD1-CB 4.31Å; L262-L266 HydrophobicContact CD1-CD2 3.74Å; L262-L266 WeakPolarHBondContact O-CB 3.18Å; L262-L266 PolarHBondContact O-N 3.16Å; L262-L267 HydrophobicContact CD1-CD1 4.03Å; L262-L267 HydrophobicContact CD1-CD2 4.5Å; L262-L267 HydrophobicContact CD1-CG 3.93Å; L262-L267 HydrophobicContact CG-CD1 4.15Å; L262-L267 HydrophobicContact CG-CG 4.44Å; L262-L267 PolarHBondContact O-N 3.03Å; L262-V318 HydrophobicContact CD1-CG1 4.36Å; L262-V318 HydrophobicContact CD1-CG2 3.76Å; L262-V318 HydrophobicContact CD2-CG2 4.27Å; L262-I380 HydrophobicContact CB-CD1 4.44Å; L262-I380 HydrophobicContact CB-CG1 4.32Å; L262-I380 HydrophobicContact CB-CG2 4.09Å; L262-I380 HydrophobicContact CD1-CD1 4.21Å; L262-I380 HydrophobicContact CD1-CG2 4.49Å
263	I	98	Very high	97.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-65.2	-55.7	-178.3	-68.1	166.5	0	0	0	110.7	F152 L153 A180 I183 I185 T259 E260 Y261 L267 K268 P269	F152-I263 HydrophobicContact CE1-CG2 4.27Å; L153-I263 HydrophobicContact CD2-CD1 4.23Å; L153-I263 HydrophobicContact CD2-CG1 3.97Å; A180-I263 HydrophobicContact CB-CD1 4.03Å; I183-I263 HydrophobicContact CG1-CG2 4.27Å; I183-I263 HydrophobicContact CG2-CD1 4.27Å; I183-I263 HydrophobicContact CG2-CG2 4.15Å; I185-I263 HydrophobicContact CD1-CD1 3.48Å; I185-I263 VanDerWaalsContact CD1-CD1 3.48Å; I185-I263 HydrophobicContact CG1-CD1 3.86Å; T259-I263 HydrophobicContact CG2-CD1 3.91Å; T259-I263 VanDerWaalsContact O-CG1 3.29Å; T259-I263 WeakPolarHBondContact O-CG1 3.14Å; T259-I263 PolarHBondContact O-N 2.75Å; E260-I263 PolarHBondContact O-N 3.19Å; Y261-I263 PolarHBondContact O-N 2.82Å; I263-L267 PolarHBondContact O-N 3.12Å; I263-K268 PolarHBondContact O-N 3.14Å; I263-P269 HydrophobicContact CG2-CG 4.16Å; I263-P269 WeakPolarHBondContact O-CD 3.17Å
264	N	95.9	Very high	97.4	Very high	79 Å²	79	48.3 Å²	48.3	42%	0.422	25%	0.245	S	C	.	.	I	π-helix	trans	-81	-25.5	-166.5	-64.1	-42.9	0	0	0	114.1	E260	E260-N264 VanDerWaalsContact O-CB 3.27Å; E260-N264 WeakPolarHBondContact O-CB 3.44Å; E260-N264 PolarHBondContact O-N 3.5Å; E260-N264 PolarHBondContact O-ND2 3.36Å; E260-N264 VanDerWaalsContact O-ND2 3.09Å
265	K	95.8	Very high	97.4	Very high	129 Å²	129	52.4 Å²	52.4	56%	0.561	26%	0.263	S	S	*	.	I	π-helix	trans	-108	-36.2	-175.8	-58.1	-58.9	-176.6	-172.9	0	113.3	Y261 K268	Y261-K265 HydrophobicContact CD1-CB 4.03Å; Y261-K265 HydrophobicContact CD1-CG 4.42Å; Y261-K265 HydrophobicContact CD2-CB 4.26Å; Y261-K265 HydrophobicContact CD2-CG 3.77Å; Y261-K265 HydrophobicContact CE1-CB 3.87Å; Y261-K265 HydrophobicContact CE1-CG 4.42Å; Y261-K265 HydrophobicContact CE2-CB 4.1Å; Y261-K265 HydrophobicContact CE2-CG 3.75Å; Y261-K265 HydrophobicContact CG-CB 4.22Å; Y261-K265 HydrophobicContact CG-CG 4.12Å; Y261-K265 WeakPolarHBondContact O-CA 3.4Å; Y261-K265 VanDerWaalsContact O-CB 3.26Å; Y261-K265 WeakPolarHBondContact O-CB 3.37Å; Y261-K265 PolarHBondContact O-N 3.06Å; K265-K268 VanDerWaalsContact O-CE 3.24Å; K265-K268 WeakPolarHBondContact O-CE 3.24Å
266	L	97.6	Very high	97.4	Very high	6 Å²	6	56 Å²	56	3%	0.031	28%	0.282	C	S	.	.	I	π-helix	trans	-93.3	-54.9	179.7	-175.5	68.7	0	0	0	112.2	Y261 L262 T279 P359 F364 I380	Y261-L266 PolarHBondContact O-N 2.79Å; L262-L266 HydrophobicContact CD1-CB 4.31Å; L262-L266 HydrophobicContact CD1-CD2 3.74Å; L262-L266 WeakPolarHBondContact O-CB 3.18Å; L262-L266 PolarHBondContact O-N 3.16Å; L266-T279 HydrophobicContact CD2-CG2 3.96Å; L266-P359 HydrophobicContact CD1-CG 4.2Å; L266-F364 HydrophobicContact CD2-CE2 3.77Å; L266-F364 HydrophobicContact CD2-CZ 3.79Å; L266-I380 HydrophobicContact CB-CD1 4.02Å; L266-I380 HydrophobicContact CD2-CD1 3.58Å; L266-I380 HydrophobicContact CG-CD1 4.36Å
267	L	97.7	Very high	97.4	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	28%	0.284	C	S	.	.	I	π-helix	trans	-81.5	-34	-172.1	-63	-177.5	0	0	0	113.5	F152 L153 Y247 L262 I263 V318	F152-L267 HydrophobicContact CE1-CB 3.86Å; F152-L267 HydrophobicContact CE1-CD1 3.97Å; F152-L267 HydrophobicContact CZ-CB 3.92Å; L153-L267 HydrophobicContact CD1-CD1 4.12Å; L153-L267 HydrophobicContact CD2-CD1 4.37Å; Y247-L267 HydrophobicContact CD1-CD2 3.61Å; Y247-L267 HydrophobicContact CD2-CB 4.14Å; Y247-L267 HydrophobicContact CD2-CD1 3.94Å; Y247-L267 HydrophobicContact CD2-CD2 3.86Å; Y247-L267 HydrophobicContact CD2-CG 4.2Å; Y247-L267 HydrophobicContact CE1-CD2 3.79Å; Y247-L267 HydrophobicContact CE2-CB 4.07Å; Y247-L267 HydrophobicContact CE2-CD2 4.02Å; Y247-L267 HydrophobicContact CE2-CG 4.48Å; Y247-L267 HydrophobicContact CG-CD1 3.95Å; Y247-L267 HydrophobicContact CG-CD2 3.64Å; Y247-L267 HydrophobicContact CG-CG 4.3Å; L262-L267 HydrophobicContact CD1-CD1 4.03Å; L262-L267 HydrophobicContact CD1-CD2 4.5Å; L262-L267 HydrophobicContact CD1-CG 3.93Å; L262-L267 HydrophobicContact CG-CD1 4.15Å; L262-L267 HydrophobicContact CG-CG 4.44Å; L262-L267 PolarHBondContact O-N 3.03Å; I263-L267 PolarHBondContact O-N 3.12Å; L267-V318 HydrophobicContact CD2-CG1 3.85Å
268	K	97.1	Very high	97.4	Very high	95 Å²	95	56.6 Å²	56.6	41%	0.413	29%	0.285	S	S	.	.			trans	52	80.7	174.3	-60.2	-179.7	179.8	-175.5	0	112.3	I263 K265 D270 L271	I263-K268 PolarHBondContact O-N 3.14Å; K265-K268 VanDerWaalsContact O-CE 3.24Å; K265-K268 WeakPolarHBondContact O-CE 3.24Å; K268-D270 PolarHBondContact O-N 3.34Å; K268-L271 HydrophobicContact CB-CB 4.48Å; K268-L271 HydrophobicContact CB-CD1 3.91Å; K268-L271 HydrophobicContact CB-CG 4.14Å; K268-L271 HydrophobicContact CD-CD1 3.7Å; K268-L271 HydrophobicContact CG-CD1 4.49Å; K268-L271 PolarHBondContact O-N 3.05Å
269	P	96.3	Very high	97.4	Very high	33 Å²	33	56.1 Å²	56.1	21%	0.214	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.9	-173.4	24	-34.7	0	0	0	115	F152 I183 I263 L271	F152-P269 HydrophobicContact CD2-CB 4.37Å; F152-P269 HydrophobicContact CE1-CB 4.24Å; F152-P269 HydrophobicContact CE2-CB 3.88Å; F152-P269 HydrophobicContact CZ-CB 3.8Å; I183-P269 HydrophobicContact CD1-CB 3.52Å; I183-P269 HydrophobicContact CD1-CG 3.66Å; I183-P269 HydrophobicContact CG1-CG 4.27Å; I263-P269 HydrophobicContact CG2-CG 4.16Å; I263-P269 WeakPolarHBondContact O-CD 3.17Å; P269-L271 PolarHBondContact O-N 3.07Å
270	D	96	Very high	97.4	Very high	160 Å²	160	56.1 Å²	56.1	86%	0.856	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.8	175.9	-53.2	-41.9	0	0	0	113.5	K268	K268-D270 PolarHBondContact O-N 3.34Å
271	L	97	Very high	97.5	Very high	95 Å²	95	57.9 Å²	57.9	50%	0.497	29%	0.288	S	S	.	.	S	Bend	trans	-105.6	151.7	177.1	-60.5	-179.2	0	0	0	110.9	K268 P269	K268-L271 HydrophobicContact CB-CB 4.48Å; K268-L271 HydrophobicContact CB-CD1 3.91Å; K268-L271 HydrophobicContact CB-CG 4.14Å; K268-L271 HydrophobicContact CD-CD1 3.7Å; K268-L271 HydrophobicContact CG-CD1 4.49Å; K268-L271 PolarHBondContact O-N 3.05Å; P269-L271 PolarHBondContact O-N 3.07Å
272	P	97.4	Very high	97.6	Very high	112 Å²	112	56.2 Å²	56.2	73%	0.727	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-53.1	135.4	171.1	-26.4	35	0	0	0	111.7
273	P	97.4	Very high	97.5	Very high	55 Å²	55	57.1 Å²	57.1	36%	0.357	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-56.3	140.7	175.7	-26.4	35.2	0	0	0	112.1	P246 Y247	P246-P273 HydrophobicContact CB-CB 4.03Å; P246-P273 HydrophobicContact CB-CG 3.87Å; P246-P273 HydrophobicContact CG-CG 4.33Å; Y247-P273 HydrophobicContact CE2-CB 4.33Å; Y247-P273 WeakPolarHBondContact OH-CA 3.36Å
274	R	98	Very high	97.5	Very high	102 Å²	102	63.5 Å²	63.5	39%	0.385	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-75.8	150.4	172.4	-59.2	177.1	-173.3	176.3	2	109.4	Y247 Y277 S320	Y247-R274 HydrophobicContact CE1-CB 4.46Å; Y247-R274 PolarHBondContact OH-N 3.26Å; R274-Y277 HydrophobicContact CB-CD1 4.41Å; R274-Y277 HydrophobicContact CB-CD2 4.48Å; R274-Y277 HydrophobicContact CB-CG 3.94Å; R274-Y277 VanDerWaalsContact NH1-CZ 3.27Å; R274-Y277 PolarHBondContact NH1-OH 3.27Å; R274-S320 WeakPolarHBondContact O-CB 3.12Å
275	H	98.1	Very high	97.5	Very high	136 Å²	136	61.8 Å²	61.8	63%	0.63	31%	0.313	S	S	*	.	S	Bend	trans	-116.6	156.5	172.3	-67.5	-70.5	0	0	0	110.5	Y277 D322	H275-Y277 PolarHBondContact O-N 3.15Å; H275-Y277 VanDerWaalsContact O-N 3.12Å; H275-D322 IonicContact ND1-OD1 3.97Å
276	N	98.4	Very high	97.6	Very high	76 Å²	76	60.1 Å²	60.1	41%	0.406	30%	0.304	S	S	.	.	S	Bend	trans	49.5	34.3	-172.9	-62.4	-46.7	0	0	0	112.7	S320 D322 K326 I353	N276-S320 PolarHBondContact N-OG 2.75Å; N276-D322 PolarHBondContact N-OD1 2.56Å; N276-D322 PolarHBondContact N-OD2 3.27Å; N276-D322 PolarHBondContact OD1-OD2 2.97Å; N276-K326 PolarHBondContact OD1-NZ 3.29Å; N276-I353 HydrophobicContact CB-CD1 3.97Å; N276-I353 HydrophobicContact CB-CG1 4.43Å; N276-I353 HydrophobicContact CB-CG2 4.46Å; N276-I353 WeakPolarHBondContact O-CG2 3.33Å; N276-I353 WeakPolarHBondContact OD1-CD1 3.23Å
277	Y	98.7	Very high	97.6	Very high	10 Å²	10	62.7 Å²	62.7	4%	0.039	33%	0.326	C	S	.	.			trans	-106.2	125.8	-173.1	174.5	-105.1	0	0	0	110.1	Y247 R274 H275 T279 F319 S320 L323 V356	Y247-Y277 HydrophobicContact CE1-CD1 4.12Å; R274-Y277 HydrophobicContact CB-CD1 4.41Å; R274-Y277 HydrophobicContact CB-CD2 4.48Å; R274-Y277 HydrophobicContact CB-CG 3.94Å; R274-Y277 VanDerWaalsContact NH1-CZ 3.27Å; R274-Y277 PolarHBondContact NH1-OH 3.27Å; H275-Y277 PolarHBondContact O-N 3.15Å; H275-Y277 VanDerWaalsContact O-N 3.12Å; Y277-T279 HydrophobicContact CE1-CG2 3.75Å; Y277-T279 VanDerWaalsContact OH-CG2 3.25Å; Y277-T279 WeakPolarHBondContact OH-CG2 3.23Å; Y277-F319 CarbonylContact O-C 3.6Å; Y277-F319 WeakPolarHBondContact O-CA 3.12Å; Y277-F319 WeakPolarHBondContact O-CB 3.17Å; Y277-S320 PolarHBondContact N-OG 2.78Å; Y277-S320 PolarHBondContact O-N 3.24Å; Y277-S320 PolarHBondContact O-OG 3.31Å; Y277-L323 VanDerWaalsContact O-CD1 3.32Å; Y277-L323 WeakPolarHBondContact O-CD1 3.25Å; Y277-V356 HydrophobicContact CD2-CB 4.24Å; Y277-V356 HydrophobicContact CD2-CG2 4.07Å; Y277-V356 HydrophobicContact CE2-CB 3.9Å; Y277-V356 HydrophobicContact CE2-CG1 4.19Å; Y277-V356 HydrophobicContact CE2-CG2 4.23Å
278	F	98.8	Very high	97.6	Very high	2 Å²	2	63 Å²	63	1%	0.009	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.7	176.6	-160.5	-75.1	0	0	0	109	C312 Y317 V318 F319 L323 I327 V344 L348 P355 V356	F278-C312 HydrophobicContact CE1-CB 3.86Å; F278-Y317 AromaticContact CE1-CD2 3.74Å; F278-Y317 HydrophobicContact CE1-CD2 3.74Å; F278-Y317 HydrophobicContact CE1-CE2 4.44Å; F278-Y317 AromaticContact CE1-CG 3.81Å; F278-Y317 HydrophobicContact CE1-CG 3.81Å; F278-Y317 AromaticContact CE2-CD2 3.84Å; F278-Y317 HydrophobicContact CE2-CD2 3.84Å; F278-Y317 AromaticContact CE2-CE2 3.93Å; F278-Y317 HydrophobicContact CE2-CE2 3.93Å; F278-Y317 HydrophobicContact CZ-CD1 4.3Å; F278-Y317 AromaticContact CZ-CD2 3.15Å; F278-Y317 HydrophobicContact CZ-CD2 3.15Å; F278-Y317 AromaticContact CZ-CE2 3.46Å; F278-Y317 HydrophobicContact CZ-CE2 3.46Å; F278-Y317 VanDerWaalsContact CZ-CE2 3.46Å; F278-Y317 AromaticContact CZ-CG 3.62Å; F278-Y317 HydrophobicContact CZ-CG 3.62Å; F278-V318 CarbonylContact C-O 3.37Å; F278-F319 HydrophobicContact CB-CB 4.44Å; F278-F319 HydrophobicContact CD2-CB 3.45Å; F278-F319 VanDerWaalsContact CD2-CB 3.45Å; F278-F319 HydrophobicContact CD2-CD1 4.49Å; F278-F319 HydrophobicContact CD2-CG 4.13Å; F278-F319 HydrophobicContact CE2-CB 3.92Å; F278-F319 HydrophobicContact CE2-CD1 4.09Å; F278-F319 HydrophobicContact CE2-CG 4.12Å; F278-F319 HydrophobicContact CG-CB 4.1Å; F278-L323 HydrophobicContact CB-CD1 3.89Å; F278-L323 HydrophobicContact CD2-CD1 3.99Å; F278-L323 HydrophobicContact CG-CD1 4.46Å; F278-I327 HydrophobicContact CD2-CD1 4.25Å; F278-I327 HydrophobicContact CE2-CD1 4.02Å; F278-V344 HydrophobicContact CE2-CG1 3.74Å; F278-V344 HydrophobicContact CZ-CG1 3.61Å; F278-L348 HydrophobicContact CB-CD1 4.2Å; F278-L348 HydrophobicContact CB-CD2 4.35Å; F278-L348 HydrophobicContact CD1-CD1 3.8Å; F278-L348 HydrophobicContact CD2-CD1 3.73Å; F278-L348 HydrophobicContact CD2-CD2 3.91Å; F278-L348 HydrophobicContact CD2-CG 4.35Å; F278-L348 HydrophobicContact CE1-CD1 4.04Å; F278-L348 HydrophobicContact CE2-CD1 3.98Å; F278-L348 HydrophobicContact CG-CD1 3.64Å; F278-L348 HydrophobicContact CG-CD2 4.26Å; F278-L348 HydrophobicContact CZ-CD1 4.11Å; F278-P355 HydrophobicContact CD1-CB 4.44Å; F278-P355 CarbonylContact O-C 3.59Å; F278-P355 WeakPolarHBondContact O-CA 3.3Å; F278-V356 PolarHBondContact O-N 2.66Å
279	T	98.6	Very high	97.7	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	162.6	-178.4	-163.9	0	0	0	0	112.3	L266 Y277 Y317 V318 V356 F364	L266-T279 HydrophobicContact CD2-CG2 3.96Å; Y277-T279 HydrophobicContact CE1-CG2 3.75Å; Y277-T279 VanDerWaalsContact OH-CG2 3.25Å; Y277-T279 WeakPolarHBondContact OH-CG2 3.23Å; T279-Y317 CarbonylContact O-C 3.56Å; T279-Y317 WeakPolarHBondContact O-CA 3.47Å; T279-Y317 VanDerWaalsContact O-CB 3.27Å; T279-Y317 WeakPolarHBondContact O-CB 3.46Å; T279-V318 HydrophobicContact CG2-CB 4.09Å; T279-V318 PolarHBondContact N-O 2.97Å; T279-V318 PolarHBondContact O-N 3.07Å; T279-V356 VanDerWaalsContact CB-O 3.3Å; T279-V356 WeakPolarHBondContact CB-O 3.33Å; T279-V356 PolarHBondContact OG1-O 2.99Å; T279-F364 HydrophobicContact CG2-CE2 4.11Å; T279-F364 HydrophobicContact CG2-CZ 4.27Å
280	G	98.3	Very high	97.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-154.8	-177.5	0	0	0	0	0	110.4	L282 P358	G280-L282 WeakPolarHBondContact O-CD1 3.27Å; G280-P358 WeakPolarHBondContact O-CD 3.46Å
281	Y	97.9	Very high	97.8	Very high	60 Å²	60	60.3 Å²	60.3	24%	0.235	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	111.6	166.3	-175	-90.2	0	0	0	109.8	M283 C312 S313 F364 H366 W367	Y281-M283 HydrophobicContact CD1-CG 4.45Å; Y281-M283 HydrophobicContact CD1-SD 3.65Å; Y281-M283 HydrophobicContact CE1-SD 3.6Å; Y281-M283 VanDerWaalsContact CE1-SD 3.6Å; Y281-M283 PolarHBondContact O-N 3.46Å; Y281-C312 CarbonylContact O-C 3.6Å; Y281-C312 VanDerWaalsContact O-CA 3.23Å; Y281-C312 WeakPolarHBondContact O-CA 3.36Å; Y281-S313 PolarHBondContact O-N 2.84Å; Y281-F364 WeakPolarHBondContact CD2-O 3.28Å; Y281-H366 AromaticContact CD1-CE1 3.64Å; Y281-H366 AromaticContact CD1-ND1 3.17Å; Y281-H366 WeakPolarHBondContact CD1-ND1 3.33Å; Y281-H366 AromaticContact CD2-ND1 3.89Å; Y281-H366 AromaticContact CE1-CE1 3.18Å; Y281-H366 WeakPolarHBondContact CE1-CE1 3.46Å; Y281-H366 AromaticContact CE1-ND1 3.24Å; Y281-H366 WeakPolarHBondContact CE1-ND1 3.42Å; Y281-H366 AromaticContact CE2-ND1 3.94Å; Y281-H366 AromaticContact CG-ND1 3.51Å; Y281-H366 AromaticContact CZ-CE1 3.47Å; Y281-H366 VanDerWaalsContact CZ-CE1 3.47Å; Y281-H366 AromaticContact CZ-ND1 3.62Å; Y281-W367 HydrophobicContact CD2-CH2 4.38Å; Y281-W367 HydrophobicContact CD2-CZ3 4.1Å; Y281-W367 AromaticContact CE2-CH2 3.76Å; Y281-W367 HydrophobicContact CE2-CH2 3.76Å; Y281-W367 AromaticContact CE2-CZ3 3.53Å; Y281-W367 HydrophobicContact CE2-CZ3 3.53Å; Y281-W367 AromaticContact CZ-CZ3 3.82Å
282	L	97.9	Very high	97.9	Very high	25 Å²	25	63.4 Å²	63.4	13%	0.131	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.2	-172.8	-81.4	64.4	0	0	0	112	G280 R284 V310 P355 P357	G280-L282 WeakPolarHBondContact O-CD1 3.27Å; L282-R284 HydrophobicContact CB-CG 4.39Å; L282-R284 PolarHBondContact O-N 3.35Å; L282-V310 HydrophobicContact CB-CG1 4.42Å; L282-V310 HydrophobicContact CD2-CG1 4.31Å; L282-V310 HydrophobicContact CG-CG1 4.33Å; L282-P355 HydrophobicContact CD1-CB 4.48Å; L282-P355 HydrophobicContact CD2-CB 4.23Å; L282-P355 WeakPolarHBondContact CD2-O 3.36Å; L282-P355 HydrophobicContact CG-CB 4.13Å; L282-P357 HydrophobicContact CD2-CB 4.29Å
283	M	97.3	Very high	97.9	Very high	19 Å²	19	65.1 Å²	65.1	9%	0.094	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	97.2	175	-58.8	-64.7	-82	0	0	108.8	Y281 Y286 F311	Y281-M283 HydrophobicContact CD1-CG 4.45Å; Y281-M283 HydrophobicContact CD1-SD 3.65Å; Y281-M283 HydrophobicContact CE1-SD 3.6Å; Y281-M283 VanDerWaalsContact CE1-SD 3.6Å; Y281-M283 PolarHBondContact O-N 3.46Å; M283-Y286 HydrophobicContact CB-CD2 3.78Å; M283-Y286 HydrophobicContact CB-CE2 3.95Å; M283-Y286 HydrophobicContact CE-CD1 4.05Å; M283-Y286 HydrophobicContact CE-CD2 4.04Å; M283-Y286 HydrophobicContact CE-CE1 3.53Å; M283-Y286 HydrophobicContact CE-CE2 3.52Å; M283-Y286 HydrophobicContact CE-CG 4.28Å; M283-Y286 WeakPolarHBondContact CE-OH 3.22Å; M283-Y286 HydrophobicContact SD-CE2 3.85Å; M283-F311 HydrophobicContact CB-CD1 3.97Å; M283-F311 HydrophobicContact CB-CD2 3.85Å; M283-F311 HydrophobicContact CB-CE1 3.67Å; M283-F311 HydrophobicContact CB-CE2 3.55Å; M283-F311 HydrophobicContact CB-CG 4.05Å; M283-F311 HydrophobicContact CB-CZ 3.44Å; M283-F311 VanDerWaalsContact CB-CZ 3.44Å; M283-F311 WeakPolarHBondContact CB-O 3.5Å; M283-F311 HydrophobicContact CE-CZ 4.49Å; M283-F311 HydrophobicContact CG-CD2 3.98Å; M283-F311 HydrophobicContact CG-CE2 3.57Å; M283-F311 HydrophobicContact CG-CZ 3.89Å; M283-F311 PolarHBondContact N-O 2.69Å; M283-F311 PolarHBondContact O-N 3.21Å
284	R	97.1	Very high	97.9	Very high	133 Å²	133	63.5 Å²	63.5	50%	0.502	31%	0.312	S	S	.	.			trans	-102.8	133.3	-177.5	-61.4	-178.2	-178.2	-87.2	6.6	111.3	L282 Y286 V310	L282-R284 HydrophobicContact CB-CG 4.39Å; L282-R284 PolarHBondContact O-N 3.35Å; R284-Y286 VanDerWaalsContact C-N 3.29Å; R284-Y286 PolarHBondContact O-N 3.02Å; R284-V310 HydrophobicContact CG-CG1 4.02Å; R284-V310 HydrophobicContact CG-CG2 4.18Å
285	G	96.2	Very high	97.8	Very high	44 Å²	44	64.2 Å²	64.2	45%	0.454	32%	0.318	S	S	.	.	S	Bend	trans	74.2	13.3	171.9	0	0	0	0	0	115.6
286	Y	97.7	Very high	97.8	Very high	93 Å²	93	64.3 Å²	64.3	37%	0.365	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-70.3	137.9	176.8	-78.7	-99.3	0	0	0	111.2	M283 R284 Y308	M283-Y286 HydrophobicContact CB-CD2 3.78Å; M283-Y286 HydrophobicContact CB-CE2 3.95Å; M283-Y286 HydrophobicContact CE-CD1 4.05Å; M283-Y286 HydrophobicContact CE-CD2 4.04Å; M283-Y286 HydrophobicContact CE-CE1 3.53Å; M283-Y286 HydrophobicContact CE-CE2 3.52Å; M283-Y286 HydrophobicContact CE-CG 4.28Å; M283-Y286 WeakPolarHBondContact CE-OH 3.22Å; M283-Y286 HydrophobicContact SD-CE2 3.85Å; R284-Y286 VanDerWaalsContact C-N 3.29Å; R284-Y286 PolarHBondContact O-N 3.02Å; Y286-Y308 PolarHBondContact O-N 3.28Å
287	A	98	Very high	97.8	Very high	61 Å²	61	63.1 Å²	63.1	50%	0.504	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-98.6	154.4	174.4	0	0	0	0	0	110.9	N289 E306	A287-N289 PolarHBondContact O-N 3.05Å; A287-E306 VanDerWaalsContact CB-O 3.26Å; A287-E306 WeakPolarHBondContact CB-O 3.38Å
288	P	98.3	Very high	97.8	Very high	11 Å²	11	62.6 Å²	62.6	7%	0.071	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-58.3	129.6	171.5	-18.2	29	0	0	0	111.6	R290 M298 Y303 S305 E306 Y308	P288-R290 PolarHBondContact O-N 2.98Å; P288-M298 HydrophobicContact CB-CB 3.81Å; P288-M298 HydrophobicContact CB-CG 4.02Å; P288-Y303 HydrophobicContact CG-CD1 3.64Å; P288-Y303 HydrophobicContact CG-CE1 4.04Å; P288-S305 WeakPolarHBondContact CG-O 3.03Å; P288-E306 WeakPolarHBondContact CD-O 3.24Å; P288-Y308 VanDerWaalsContact CA-CZ 3.46Å; P288-Y308 WeakPolarHBondContact CA-OH 3.34Å; P288-Y308 HydrophobicContact CB-CE1 4.03Å; P288-Y308 HydrophobicContact CB-CE2 4.23Å; P288-Y308 WeakPolarHBondContact CB-OH 3.39Å; P288-Y308 HydrophobicContact CG-CD1 4.23Å; P288-Y308 HydrophobicContact CG-CE1 3.64Å; P288-Y308 HydrophobicContact CG-CE2 4.26Å
289	N	98.1	Very high	97.7	Very high	55 Å²	55	63.8 Å²	63.8	29%	0.294	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-72.2	117.2	174.4	-175.2	-27.9	0	0	0	108.9	A287 N291 S294 W296 Y297 M298	A287-N289 PolarHBondContact O-N 3.05Å; N289-N291 VanDerWaalsContact OD1-CB 3.3Å; N289-N291 WeakPolarHBondContact OD1-CB 3.23Å; N289-N291 PolarHBondContact OD1-N 2.86Å; N289-S294 PolarHBondContact ND2-OG 2.87Å; N289-W296 HydrophobicContact CB-CB 4.28Å; N289-W296 WeakPolarHBondContact CB-O 3.38Å; N289-Y297 CarbonylContact O-C 3.46Å; N289-Y297 VanDerWaalsContact O-CA 3.31Å; N289-Y297 WeakPolarHBondContact O-CA 3.46Å; N289-M298 PolarHBondContact O-N 3.05Å
290	R	97.8	Very high	97.6	Very high	90 Å²	90	67.1 Å²	67.1	34%	0.34	33%	0.331	S	S	.	.			trans	-96	3.2	-178.4	-55	-55.5	-169.5	-176.5	2.1	114	P288 K292 Y297 M298 P299 Y303 S305	P288-R290 PolarHBondContact O-N 2.98Å; R290-K292 PolarHBondContact O-N 3Å; R290-Y297 WeakPolarHBondContact O-CE2 3.37Å; R290-M298 VanDerWaalsContact CD-O 3.24Å; R290-M298 WeakPolarHBondContact CD-O 3.35Å; R290-M298 PolarHBondContact NH1-O 3.1Å; R290-P299 PolarHBondContact NH1-O 2.87Å; R290-P299 VanDerWaalsContact NH1-O 3.13Å; R290-Y303 PolarHBondContact NH1-O 3.06Å; R290-Y303 PolarHBondContact NH2-O 3.2Å; R290-S305 PolarHBondContact NH2-O 2.79Å
291	N	97.9	Very high	97.6	Very high	87 Å²	87	72.5 Å²	72.5	47%	0.465	36%	0.359	S	S	.	.			trans	-77	115.7	173.8	-180	3.4	0	0	0	110.1	N289 D293 S294 Y297	N289-N291 VanDerWaalsContact OD1-CB 3.3Å; N289-N291 WeakPolarHBondContact OD1-CB 3.23Å; N289-N291 PolarHBondContact OD1-N 2.86Å; N291-D293 PolarHBondContact O-N 2.96Å; N291-D293 PolarHBondContact OD1-N 2.78Å; N291-S294 VanDerWaalsContact O-CB 3.27Å; N291-S294 WeakPolarHBondContact O-CB 3.11Å; N291-S294 PolarHBondContact O-N 2.83Å; N291-S294 VanDerWaalsContact O-N 3.09Å; N291-Y297 VanDerWaalsContact O-CB 3.28Å; N291-Y297 WeakPolarHBondContact O-CB 3.49Å; N291-Y297 WeakPolarHBondContact O-CD2 3.25Å
292	K	97.4	Very high	97.5	Very high	160 Å²	160	71.3 Å²	71.3	70%	0.696	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.4	-178.9	-68.7	-178.9	179.7	179.8	0	114.1	R290 S294 Y297	R290-K292 PolarHBondContact O-N 3Å; K292-S294 VanDerWaalsContact C-N 3.28Å; K292-Y297 HydrophobicContact CG-CD1 4.49Å; K292-Y297 HydrophobicContact CG-CD2 4.21Å; K292-Y297 HydrophobicContact CG-CE1 4.04Å; K292-Y297 HydrophobicContact CG-CE2 3.74Å
293	D	97.2	Very high	97.5	Very high	148 Å²	148	70.7 Å²	70.7	79%	0.791	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.8	179.2	-57.4	-38.5	0	0	0	112.7	N291	N291-D293 PolarHBondContact O-N 2.96Å; N291-D293 PolarHBondContact OD1-N 2.78Å
294	S	97.8	Very high	97.5	Very high	21 Å²	21	73.2 Å²	73.2	15%	0.147	37%	0.371	C	S	.	.	S	Bend	trans	-83.8	135.1	177.4	-177.5	0	0	0	0	110.8	N289 N291 K292 W296 Y297	N289-S294 PolarHBondContact ND2-OG 2.87Å; N291-S294 VanDerWaalsContact O-CB 3.27Å; N291-S294 WeakPolarHBondContact O-CB 3.11Å; N291-S294 PolarHBondContact O-N 2.83Å; N291-S294 VanDerWaalsContact O-N 3.09Å; K292-S294 VanDerWaalsContact C-N 3.28Å; S294-W296 PolarHBondContact O-N 3.06Å; S294-W296 VanDerWaalsContact O-N 3.08Å; S294-W296 PolarHBondContact OG-N 3.19Å; S294-W296 VanDerWaalsContact OG-N 3.08Å; S294-Y297 WeakPolarHBondContact O-CB 3.28Å; S294-Y297 PolarHBondContact O-N 2.7Å
295	K	96.7	Very high	97.5	Very high	118 Å²	118	68 Å²	68	51%	0.513	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.7	166.2	69.9	-179.6	-177.3	179.9	0	112.6	Y224 Y297 H338	Y224-K295 HydrophobicContact CE1-CB 4.31Å; Y224-K295 HydrophobicContact CE1-CG 4.47Å; K295-Y297 VanDerWaalsContact C-N 3.33Å; K295-H338 PolarHBondContact O-NE2 2.85Å
296	W	97.6	Very high	97.5	Very high	137 Å²	137	73.7 Å²	73.7	52%	0.519	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	6.4	176.2	-52.7	-44.8	0	0	0	114	Y224 N289 S294 M298 L339	Y224-W296 VanDerWaalsContact OH-CD1 3.26Å; Y224-W296 PolarHBondContact OH-NE1 2.85Å; N289-W296 HydrophobicContact CB-CB 4.28Å; N289-W296 WeakPolarHBondContact CB-O 3.38Å; S294-W296 PolarHBondContact O-N 3.06Å; S294-W296 VanDerWaalsContact O-N 3.08Å; S294-W296 PolarHBondContact OG-N 3.19Å; S294-W296 VanDerWaalsContact OG-N 3.08Å; W296-M298 PolarHBondContact O-N 2.99Å; W296-L339 HydrophobicContact CB-CD2 4.49Å
297	Y	98.3	Very high	97.5	Very high	51 Å²	51	76.6 Å²	76.6	20%	0.2	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-52.6	128.4	178.9	175.8	-122.6	0	0	0	111.3	N289 R290 N291 K292 S294 K295 P299 H338	N289-Y297 CarbonylContact O-C 3.46Å; N289-Y297 VanDerWaalsContact O-CA 3.31Å; N289-Y297 WeakPolarHBondContact O-CA 3.46Å; R290-Y297 WeakPolarHBondContact O-CE2 3.37Å; N291-Y297 VanDerWaalsContact O-CB 3.28Å; N291-Y297 WeakPolarHBondContact O-CB 3.49Å; N291-Y297 WeakPolarHBondContact O-CD2 3.25Å; K292-Y297 HydrophobicContact CG-CD1 4.49Å; K292-Y297 HydrophobicContact CG-CD2 4.21Å; K292-Y297 HydrophobicContact CG-CE1 4.04Å; K292-Y297 HydrophobicContact CG-CE2 3.74Å; S294-Y297 WeakPolarHBondContact O-CB 3.28Å; S294-Y297 PolarHBondContact O-N 2.7Å; K295-Y297 VanDerWaalsContact C-N 3.33Å; Y297-P299 HydrophobicContact CD1-CG 4.23Å; Y297-P299 HydrophobicContact CE1-CB 4.22Å; Y297-P299 HydrophobicContact CE1-CG 3.61Å; Y297-H338 PolarHBondContact O-CE1 2.71Å; Y297-H338 PolarHBondContact O-NE2 2.04Å
298	M	98.3	Very high	97.5	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	36%	0.358	C	S	.	.			trans	-121.4	114.5	173.5	-175	58	60.3	0	0	109.1	P288 N289 R290 W296 L302 Y308 L337 L339	P288-M298 HydrophobicContact CB-CB 3.81Å; P288-M298 HydrophobicContact CB-CG 4.02Å; N289-M298 PolarHBondContact O-N 3.05Å; R290-M298 VanDerWaalsContact CD-O 3.24Å; R290-M298 WeakPolarHBondContact CD-O 3.35Å; R290-M298 PolarHBondContact NH1-O 3.1Å; W296-M298 PolarHBondContact O-N 2.99Å; M298-L302 HydrophobicContact SD-CB 4.33Å; M298-L302 HydrophobicContact SD-CD2 3.76Å; M298-L302 HydrophobicContact SD-CG 4.01Å; M298-Y308 VanDerWaalsContact CB-OH 3.24Å; M298-Y308 WeakPolarHBondContact CB-OH 3.49Å; M298-Y308 WeakPolarHBondContact CG-OH 3.29Å; M298-L337 HydrophobicContact CE-CB 4.08Å; M298-L337 HydrophobicContact CE-CD1 4.01Å; M298-L337 HydrophobicContact CE-CD2 4.27Å; M298-L337 HydrophobicContact CE-CG 4.36Å; M298-L337 HydrophobicContact SD-CD1 4.41Å; M298-L337 HydrophobicContact SD-CD2 3.97Å; M298-L339 HydrophobicContact CE-CB 4.33Å; M298-L339 HydrophobicContact CE-CD1 3.83Å; M298-L339 HydrophobicContact CE-CG 3.91Å
299	P	97.5	Very high	97.5	Very high	27 Å²	27	74.8 Å²	74.8	18%	0.175	36%	0.361	C	S	.	.			trans	-61.9	140.9	176.6	-20.6	29.3	0	0	0	113.2	R290 Y297 D301 L302 Y303	R290-P299 PolarHBondContact NH1-O 2.87Å; R290-P299 VanDerWaalsContact NH1-O 3.13Å; Y297-P299 HydrophobicContact CD1-CG 4.23Å; Y297-P299 HydrophobicContact CE1-CB 4.22Å; Y297-P299 HydrophobicContact CE1-CG 3.61Å; P299-D301 VanDerWaalsContact C-N 3.31Å; P299-D301 WeakPolarHBondContact CB-OD1 3.39Å; P299-D301 PolarHBondContact O-N 3.34Å; P299-L302 HydrophobicContact CB-CB 4.02Å; P299-L302 HydrophobicContact CG-CB 4.22Å; P299-L302 PolarHBondContact O-N 2.78Å; P299-Y303 PolarHBondContact O-N 2.93Å
300	P	97.3	Very high	97.5	Very high	70 Å²	70	74 Å²	74	46%	0.455	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35	175	-25.6	35.3	0	0	0	114.4	L302 Y303 P304	P300-L302 VanDerWaalsContact C-N 3.29Å; P300-L302 PolarHBondContact O-N 3.46Å; P300-Y303 CarbonylContact O-C 3.58Å; P300-P304 WeakPolarHBondContact O-CA 3.43Å; P300-P304 WeakPolarHBondContact O-CB 3.46Å; P300-P304 VanDerWaalsContact O-N 3.08Å
301	D	96.7	Very high	97.6	Very high	112 Å²	112	70.1 Å²	70.1	60%	0.599	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-26	177	64.8	-65.2	0	0	0	112.9	P299 R335	P299-D301 VanDerWaalsContact C-N 3.31Å; P299-D301 WeakPolarHBondContact CB-OD1 3.39Å; P299-D301 PolarHBondContact O-N 3.34Å; D301-R335 PolarHBondContact O-NH1 2.85Å
302	L	96.1	Very high	97.6	Very high	35 Å²	35	66.1 Å²	66.1	18%	0.183	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-39	176.4	-177.2	59	0	0	0	111.6	M298 P299 P300 R335 L337	M298-L302 HydrophobicContact SD-CB 4.33Å; M298-L302 HydrophobicContact SD-CD2 3.76Å; M298-L302 HydrophobicContact SD-CG 4.01Å; P299-L302 HydrophobicContact CB-CB 4.02Å; P299-L302 HydrophobicContact CG-CB 4.22Å; P299-L302 PolarHBondContact O-N 2.78Å; P300-L302 VanDerWaalsContact C-N 3.29Å; P300-L302 PolarHBondContact O-N 3.46Å; L302-R335 HydrophobicContact CD1-CG 3.98Å; L302-R335 VanDerWaalsContact CD1-CZ 3.42Å; L302-R335 VanDerWaalsContact CD1-NE 3.3Å; L302-L337 HydrophobicContact CD1-CD2 3.77Å; L302-L337 HydrophobicContact CD2-CD2 3.78Å; L302-L337 HydrophobicContact CG-CD2 3.45Å; L302-L337 VanDerWaalsContact CG-CD2 3.45Å
303	Y	97.6	Very high	97.6	Very high	13 Å²	13	59 Å²	59	5%	0.051	29%	0.293	C	S	.	.			trans	-141.4	97.5	175	-165.7	-90.8	0	0	0	110.4	P288 R290 P299 P300 S305 R307 Y308 P309 L337 I346	P288-Y303 HydrophobicContact CG-CD1 3.64Å; P288-Y303 HydrophobicContact CG-CE1 4.04Å; R290-Y303 PolarHBondContact NH1-O 3.06Å; R290-Y303 PolarHBondContact NH2-O 3.2Å; P299-Y303 PolarHBondContact O-N 2.93Å; P300-Y303 CarbonylContact O-C 3.58Å; Y303-S305 WeakPolarHBondContact CD1-O 3.11Å; Y303-R307 PolarHBondContact OH-O 3.01Å; Y303-R307 VanDerWaalsContact OH-O 3.1Å; Y303-Y308 AromaticContact CD1-CD1 3.95Å; Y303-Y308 HydrophobicContact CD1-CD1 3.95Å; Y303-Y308 AromaticContact CD1-CE1 3.64Å; Y303-Y308 HydrophobicContact CD1-CE1 3.64Å; Y303-Y308 HydrophobicContact CD2-CE1 4.4Å; Y303-Y308 AromaticContact CE1-CD1 3.46Å; Y303-Y308 HydrophobicContact CE1-CD1 3.46Å; Y303-Y308 VanDerWaalsContact CE1-CD1 3.46Å; Y303-Y308 AromaticContact CE1-CE1 3.69Å; Y303-Y308 HydrophobicContact CE1-CE1 3.69Å; Y303-Y308 HydrophobicContact CE2-CD1 4.23Å; Y303-Y308 HydrophobicContact CE2-CE1 4.47Å; Y303-Y308 HydrophobicContact CG-CD1 4.48Å; Y303-Y308 HydrophobicContact CG-CE1 4Å; Y303-Y308 AromaticContact CZ-CD1 3.63Å; Y303-P309 WeakPolarHBondContact OH-CD 3.47Å; Y303-L337 HydrophobicContact CD2-CD1 4.05Å; Y303-I346 HydrophobicContact CD2-CD1 4.07Å; Y303-I346 HydrophobicContact CE2-CD1 3.58Å; Y303-I346 HydrophobicContact CE2-CG1 4.28Å
304	P	97.1	Very high	97.7	Very high	71 Å²	71	52.4 Å²	52.4	46%	0.461	26%	0.26	S	S	.	.			trans	-80.6	-23.1	-172.9	28.5	-34.7	0	0	0	113.8	T115 P300	T115-P304 HydrophobicContact CG2-CG 3.6Å; P300-P304 WeakPolarHBondContact O-CA 3.43Å; P300-P304 WeakPolarHBondContact O-CB 3.46Å; P300-P304 VanDerWaalsContact O-N 3.08Å
305	S	97.1	Very high	97.7	Very high	23 Å²	23	52 Å²	52	16%	0.161	26%	0.256	C	S	.	.	S	Bend	trans	-64.2	148.5	-179.5	-50.3	0	0	0	0	112.1	P288 R290 Y303 R307	P288-S305 WeakPolarHBondContact CG-O 3.03Å; R290-S305 PolarHBondContact NH2-O 2.79Å; Y303-S305 WeakPolarHBondContact CD1-O 3.11Å; S305-R307 VanDerWaalsContact C-N 3.32Å; S305-R307 PolarHBondContact O-N 3.39Å
306	E	97.2	Very high	97.7	Very high	164 Å²	164	46.3 Å²	46.3	77%	0.766	23%	0.232	S	C	*	.	S	Bend	trans	-73.8	-22	-176.4	-62.8	-171.6	162	0	0	113.9	A287 P288	A287-E306 VanDerWaalsContact CB-O 3.26Å; A287-E306 WeakPolarHBondContact CB-O 3.38Å; P288-E306 WeakPolarHBondContact CD-O 3.24Å
307	R	98.2	Very high	97.8	Very high	154 Å²	154	39.9 Å²	39.9	58%	0.581	21%	0.207	S	C	*	.	S	Bend	trans	-138.4	145.5	-176	-66.7	-172.8	175.6	-158.3	-2.9	111.1	Y303 S305	Y303-R307 PolarHBondContact OH-O 3.01Å; Y303-R307 VanDerWaalsContact OH-O 3.1Å; S305-R307 VanDerWaalsContact C-N 3.32Å; S305-R307 PolarHBondContact O-N 3.39Å
308	Y	98.3	Very high	97.8	Very high	15 Å²	15	37.4 Å²	37.4	6%	0.059	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-76.8	152.6	168.6	-60.2	-50	0	0	0	110.9	Y286 P288 M298 Y303 F311 V342	Y286-Y308 PolarHBondContact O-N 3.28Å; P288-Y308 VanDerWaalsContact CA-CZ 3.46Å; P288-Y308 WeakPolarHBondContact CA-OH 3.34Å; P288-Y308 HydrophobicContact CB-CE1 4.03Å; P288-Y308 HydrophobicContact CB-CE2 4.23Å; P288-Y308 WeakPolarHBondContact CB-OH 3.39Å; P288-Y308 HydrophobicContact CG-CD1 4.23Å; P288-Y308 HydrophobicContact CG-CE1 3.64Å; P288-Y308 HydrophobicContact CG-CE2 4.26Å; M298-Y308 VanDerWaalsContact CB-OH 3.24Å; M298-Y308 WeakPolarHBondContact CB-OH 3.49Å; M298-Y308 WeakPolarHBondContact CG-OH 3.29Å; Y303-Y308 AromaticContact CD1-CD1 3.95Å; Y303-Y308 HydrophobicContact CD1-CD1 3.95Å; Y303-Y308 AromaticContact CD1-CE1 3.64Å; Y303-Y308 HydrophobicContact CD1-CE1 3.64Å; Y303-Y308 HydrophobicContact CD2-CE1 4.4Å; Y303-Y308 AromaticContact CE1-CD1 3.46Å; Y303-Y308 HydrophobicContact CE1-CD1 3.46Å; Y303-Y308 VanDerWaalsContact CE1-CD1 3.46Å; Y303-Y308 AromaticContact CE1-CE1 3.69Å; Y303-Y308 HydrophobicContact CE1-CE1 3.69Å; Y303-Y308 HydrophobicContact CE2-CD1 4.23Å; Y303-Y308 HydrophobicContact CE2-CE1 4.47Å; Y303-Y308 HydrophobicContact CG-CD1 4.48Å; Y303-Y308 HydrophobicContact CG-CE1 4Å; Y303-Y308 AromaticContact CZ-CD1 3.63Å; Y308-F311 HydrophobicContact CD2-CE1 4.1Å; Y308-F311 HydrophobicContact CG-CE1 4.5Å; Y308-V342 HydrophobicContact CD1-CG1 3.37Å; Y308-V342 HydrophobicContact CD2-CG1 4.1Å; Y308-V342 HydrophobicContact CD2-CG2 3.94Å; Y308-V342 HydrophobicContact CE1-CG1 3.51Å; Y308-V342 HydrophobicContact CE2-CG1 4.19Å; Y308-V342 HydrophobicContact CE2-CG2 3.9Å; Y308-V342 HydrophobicContact CG-CG1 3.67Å; Y308-V342 HydrophobicContact CG-CG2 4.32Å
309	P	98.1	Very high	97.9	Very high	19 Å²	19	37.4 Å²	37.4	12%	0.123	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-60	168.6	162.4	28.9	-35	0	0	0	110.4	Y303 F311 I346 A349	Y303-P309 WeakPolarHBondContact OH-CD 3.47Å; P309-F311 WeakPolarHBondContact O-CD1 3.48Å; P309-F311 PolarHBondContact O-N 2.87Å; P309-I346 HydrophobicContact CG-CG1 3.88Å; P309-A349 HydrophobicContact CB-CB 3.75Å; P309-A349 HydrophobicContact CG-CB 4.09Å
310	V	98.4	Very high	97.9	Very high	38 Å²	38	36.1 Å²	36.1	23%	0.23	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-63.2	129.2	173.8	-179.2	0	0	0	0	109.2	L282 R284 P355	L282-V310 HydrophobicContact CB-CG1 4.42Å; L282-V310 HydrophobicContact CD2-CG1 4.31Å; L282-V310 HydrophobicContact CG-CG1 4.33Å; R284-V310 HydrophobicContact CG-CG1 4.02Å; R284-V310 HydrophobicContact CG-CG2 4.18Å; V310-P355 HydrophobicContact CG1-CG 4.27Å
311	F	98.5	Very high	98	Very high	9 Å²	9	33.1 Å²	33.1	4%	0.039	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	163	175.6	64.3	-83.2	0	0	0	110.4	M283 Y308 P309 D341 V342	M283-F311 HydrophobicContact CB-CD1 3.97Å; M283-F311 HydrophobicContact CB-CD2 3.85Å; M283-F311 HydrophobicContact CB-CE1 3.67Å; M283-F311 HydrophobicContact CB-CE2 3.55Å; M283-F311 HydrophobicContact CB-CG 4.05Å; M283-F311 HydrophobicContact CB-CZ 3.44Å; M283-F311 VanDerWaalsContact CB-CZ 3.44Å; M283-F311 WeakPolarHBondContact CB-O 3.5Å; M283-F311 HydrophobicContact CE-CZ 4.49Å; M283-F311 HydrophobicContact CG-CD2 3.98Å; M283-F311 HydrophobicContact CG-CE2 3.57Å; M283-F311 HydrophobicContact CG-CZ 3.89Å; M283-F311 PolarHBondContact N-O 2.69Å; M283-F311 PolarHBondContact O-N 3.21Å; Y308-F311 HydrophobicContact CD2-CE1 4.1Å; Y308-F311 HydrophobicContact CG-CE1 4.5Å; P309-F311 WeakPolarHBondContact O-CD1 3.48Å; P309-F311 PolarHBondContact O-N 2.87Å; F311-D341 WeakPolarHBondContact CB-O 3.34Å; F311-D341 HydrophobicContact CD2-CB 3.93Å; F311-D341 HydrophobicContact CE2-CB 4.31Å; F311-V342 HydrophobicContact CD1-CG2 4.33Å; F311-V342 HydrophobicContact CD2-CG2 4.3Å; F311-V342 HydrophobicContact CE1-CG2 3.98Å; F311-V342 HydrophobicContact CE2-CG2 3.93Å; F311-V342 HydrophobicContact CG-CG2 4.5Å; F311-V342 HydrophobicContact CZ-CG2 3.77Å
312	C	98.5	Very high	98.1	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.02	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144.6	169.9	-67	0	0	0	0	109.9	F278 Y281 G314 Y317 D341	F278-C312 HydrophobicContact CE1-CB 3.86Å; Y281-C312 CarbonylContact O-C 3.6Å; Y281-C312 VanDerWaalsContact O-CA 3.23Å; Y281-C312 WeakPolarHBondContact O-CA 3.36Å; C312-G314 PolarHBondContact O-N 2.73Å; C312-Y317 HydrophobicContact CB-CD1 4.47Å; C312-Y317 HydrophobicContact CB-CG 4.41Å; C312-D341 WeakPolarHBondContact O-CB 3.38Å
313	S	98	Very high	98.2	Very high	10 Å²	10	27.7 Å²	27.7	7%	0.07	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	135.7	176.5	-178.7	0	0	0	0	112.5	Y281 T315 G316 H366	Y281-S313 PolarHBondContact O-N 2.84Å; S313-T315 PolarHBondContact O-N 3.27Å; S313-T315 PolarHBondContact OG-OG1 3.21Å; S313-G316 PolarHBondContact O-N 3.08Å; S313-H366 VanDerWaalsContact OG-CB 3.23Å; S313-H366 WeakPolarHBondContact OG-CB 3.15Å
314	G	97.7	Very high	98.2	Very high	10 Å²	10	27.1 Å²	27.1	10%	0.103	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	-17.1	-179.6	0	0	0	0	0	115.7	K250 C312 G316 D341	K250-G314 PolarHBondContact NZ-O 3.28Å; C312-G314 PolarHBondContact O-N 2.73Å; G314-G316 PolarHBondContact O-N 3.22Å; G314-D341 PolarHBondContact N-OD2 3.2Å
315	T	97.8	Very high	98.3	Very high	12 Å²	12	28 Å²	28	7%	0.074	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	-29	178	57.3	0	0	0	0	113	T251 M255 S313 H366 H383	T251-T315 PolarHBondContact OG1-O 2.94Å; M255-T315 WeakPolarHBondContact CE-O 3.31Å; M255-T315 WeakPolarHBondContact CG-O 3.38Å; M255-T315 HydrophobicContact SD-CG2 4.35Å; S313-T315 PolarHBondContact O-N 3.27Å; S313-T315 PolarHBondContact OG-OG1 3.21Å; T315-H366 HydrophobicContact CG2-CB 3.88Å; T315-H366 WeakPolarHBondContact OG1-CA 3.24Å; T315-H366 WeakPolarHBondContact OG1-CB 3.31Å; T315-H383 HydrophobicContact CG2-CB 4.42Å
316	G	98.5	Very high	98.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	135.3	174.6	0	0	0	0	0	114.1	K250 S313 G314	K250-G316 VanDerWaalsContact O-CA 3.22Å; K250-G316 WeakPolarHBondContact O-CA 3.49Å; S313-G316 PolarHBondContact O-N 3.08Å; G314-G316 PolarHBondContact O-N 3.22Å
317	Y	98.8	Very high	98.5	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	160.7	179.6	55.5	-103.5	0	0	0	110.7	T231 M235 M249 K250 F278 T279 C312 F319 E340	T231-Y317 WeakPolarHBondContact CG2-OH 3.36Å; M235-Y317 HydrophobicContact CE-CE2 4.12Å; M249-Y317 WeakPolarHBondContact CA-O 3.43Å; K250-Y317 HydrophobicContact CB-CD2 4.19Å; K250-Y317 HydrophobicContact CB-CE1 4.23Å; K250-Y317 HydrophobicContact CB-CE2 3.56Å; K250-Y317 HydrophobicContact CD-CD1 4.46Å; K250-Y317 HydrophobicContact CD-CE1 3.65Å; K250-Y317 HydrophobicContact CG-CE1 4.38Å; K250-Y317 HydrophobicContact CG-CE2 4.4Å; K250-Y317 PolarHBondContact N-O 3.46Å; K250-Y317 PolarHBondContact O-N 2.8Å; F278-Y317 AromaticContact CE1-CD2 3.74Å; F278-Y317 HydrophobicContact CE1-CD2 3.74Å; F278-Y317 HydrophobicContact CE1-CE2 4.44Å; F278-Y317 AromaticContact CE1-CG 3.81Å; F278-Y317 HydrophobicContact CE1-CG 3.81Å; F278-Y317 AromaticContact CE2-CD2 3.84Å; F278-Y317 HydrophobicContact CE2-CD2 3.84Å; F278-Y317 AromaticContact CE2-CE2 3.93Å; F278-Y317 HydrophobicContact CE2-CE2 3.93Å; F278-Y317 HydrophobicContact CZ-CD1 4.3Å; F278-Y317 AromaticContact CZ-CD2 3.15Å; F278-Y317 HydrophobicContact CZ-CD2 3.15Å; F278-Y317 AromaticContact CZ-CE2 3.46Å; F278-Y317 HydrophobicContact CZ-CE2 3.46Å; F278-Y317 VanDerWaalsContact CZ-CE2 3.46Å; F278-Y317 AromaticContact CZ-CG 3.62Å; F278-Y317 HydrophobicContact CZ-CG 3.62Å; T279-Y317 CarbonylContact O-C 3.56Å; T279-Y317 WeakPolarHBondContact O-CA 3.47Å; T279-Y317 VanDerWaalsContact O-CB 3.27Å; T279-Y317 WeakPolarHBondContact O-CB 3.46Å; C312-Y317 HydrophobicContact CB-CD1 4.47Å; C312-Y317 HydrophobicContact CB-CG 4.41Å; Y317-F319 AromaticContact CD2-CD1 3.85Å; Y317-F319 HydrophobicContact CD2-CD1 3.85Å; Y317-F319 HydrophobicContact CD2-CE1 4.17Å; Y317-F319 AromaticContact CE2-CD1 3.87Å; Y317-F319 HydrophobicContact CE2-CD1 3.87Å; Y317-F319 AromaticContact CE2-CE1 3.79Å; Y317-F319 HydrophobicContact CE2-CE1 3.79Å; Y317-E340 PolarHBondContact OH-OE1 2.95Å
318	V	98.9	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.4	-174.8	-178.9	0	0	0	0	109.3	V248 M249 L262 L267 F278 T279 F364	V248-V318 CarbonylContact O-C 3.56Å; V248-V318 WeakPolarHBondContact O-CA 3.35Å; M249-V318 HydrophobicContact CB-CG2 4.01Å; M249-V318 HydrophobicContact CG-CG2 3.9Å; M249-V318 HydrophobicContact SD-CG2 4.23Å; L262-V318 HydrophobicContact CD1-CG1 4.36Å; L262-V318 HydrophobicContact CD1-CG2 3.76Å; L262-V318 HydrophobicContact CD2-CG2 4.27Å; L267-V318 HydrophobicContact CD2-CG1 3.85Å; F278-V318 CarbonylContact C-O 3.37Å; T279-V318 HydrophobicContact CG2-CB 4.09Å; T279-V318 PolarHBondContact N-O 2.97Å; T279-V318 PolarHBondContact O-N 3.07Å; V318-F364 HydrophobicContact CB-CZ 4.48Å; V318-F364 HydrophobicContact CG2-CE1 4.04Å; V318-F364 HydrophobicContact CG2-CZ 3.83Å
319	F	98.9	Very high	98.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	157.7	-178.1	56.3	-80	0	0	0	111.8	M235 Y247 V248 K250 Y277 F278 Y317 L323 A324	M235-F319 HydrophobicContact CE-CD1 4.39Å; M235-F319 HydrophobicContact CE-CE1 3.58Å; M235-F319 HydrophobicContact CE-CE2 3.93Å; M235-F319 HydrophobicContact CE-CZ 3.29Å; M235-F319 HydrophobicContact SD-CE1 4.15Å; M235-F319 HydrophobicContact SD-CE2 3.48Å; M235-F319 WeakPolarHBondContact SD-CE2 3.32Å; M235-F319 HydrophobicContact SD-CZ 3.23Å; M235-F319 WeakPolarHBondContact SD-CZ 3.46Å; Y247-F319 WeakPolarHBondContact CA-O 3.44Å; V248-F319 HydrophobicContact CB-CD1 4.33Å; V248-F319 HydrophobicContact CB-CD2 4.08Å; V248-F319 HydrophobicContact CB-CE1 3.8Å; V248-F319 HydrophobicContact CB-CE2 3.54Å; V248-F319 HydrophobicContact CB-CG 4.45Å; V248-F319 HydrophobicContact CB-CZ 3.37Å; V248-F319 HydrophobicContact CG1-CE1 3.75Å; V248-F319 HydrophobicContact CG1-CE2 3.94Å; V248-F319 HydrophobicContact CG1-CZ 3.29Å; V248-F319 HydrophobicContact CG2-CE2 3.91Å; V248-F319 HydrophobicContact CG2-CZ 4.15Å; V248-F319 PolarHBondContact N-O 3.35Å; V248-F319 WeakPolarHBondContact O-CD1 3.39Å; V248-F319 PolarHBondContact O-N 3.14Å; K250-F319 HydrophobicContact CB-CE1 4.48Å; Y277-F319 CarbonylContact O-C 3.6Å; Y277-F319 WeakPolarHBondContact O-CA 3.12Å; Y277-F319 WeakPolarHBondContact O-CB 3.17Å; F278-F319 HydrophobicContact CB-CB 4.44Å; F278-F319 HydrophobicContact CD2-CB 3.45Å; F278-F319 VanDerWaalsContact CD2-CB 3.45Å; F278-F319 HydrophobicContact CD2-CD1 4.49Å; F278-F319 HydrophobicContact CD2-CG 4.13Å; F278-F319 HydrophobicContact CE2-CB 3.92Å; F278-F319 HydrophobicContact CE2-CD1 4.09Å; F278-F319 HydrophobicContact CE2-CG 4.12Å; F278-F319 HydrophobicContact CG-CB 4.1Å; Y317-F319 AromaticContact CD2-CD1 3.85Å; Y317-F319 HydrophobicContact CD2-CD1 3.85Å; Y317-F319 HydrophobicContact CD2-CE1 4.17Å; Y317-F319 AromaticContact CE2-CD1 3.87Å; Y317-F319 HydrophobicContact CE2-CD1 3.87Å; Y317-F319 AromaticContact CE2-CE1 3.79Å; Y317-F319 HydrophobicContact CE2-CE1 3.79Å; F319-L323 HydrophobicContact CB-CB 4.43Å; F319-L323 HydrophobicContact CB-CD1 4.19Å; F319-L323 HydrophobicContact CD2-CB 3.98Å; F319-A324 HydrophobicContact CE2-CB 4.04Å
320	S	98.8	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	145.2	172.2	58.1	0	0	0	0	110.6	P246 R274 N276 Y277 D322 L323	P246-S320 CarbonylContact O-C 3.13Å; P246-S320 WeakPolarHBondContact O-CA 2.99Å; R274-S320 WeakPolarHBondContact O-CB 3.12Å; N276-S320 PolarHBondContact N-OG 2.75Å; Y277-S320 PolarHBondContact N-OG 2.78Å; Y277-S320 PolarHBondContact O-N 3.24Å; Y277-S320 PolarHBondContact O-OG 3.31Å; S320-D322 WeakPolarHBondContact CB-OD1 3.27Å; S320-D322 PolarHBondContact O-N 3.25Å; S320-D322 VanDerWaalsContact O-N 3.15Å; S320-D322 PolarHBondContact OG-OD1 3.05Å; S320-L323 WeakPolarHBondContact O-CB 3.35Å; S320-L323 PolarHBondContact O-N 3.49Å
321	G	98.5	Very high	98.4	Very high	6 Å²	6	20.2 Å²	20.2	6%	0.062	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.9	-172.7	0	0	0	0	0	114.8	I245 P246 L323 A324	I245-G321 VanDerWaalsContact O-CA 3.29Å; I245-G321 WeakPolarHBondContact O-CA 3.32Å; P246-G321 PolarHBondContact O-N 3.44Å; G321-L323 PolarHBondContact O-N 2.8Å; G321-L323 VanDerWaalsContact O-N 3.15Å; G321-A324 VanDerWaalsContact O-CB 3.29Å; G321-A324 WeakPolarHBondContact O-CB 3.38Å; G321-A324 PolarHBondContact O-N 3.5Å
322	D	98.5	Very high	98.3	Very high	34 Å²	34	23.3 Å²	23.3	18%	0.182	12%	0.118	C	C	.	.	H	α-helix	trans	-60.3	-25	176.3	68.7	-68.9	0	0	0	113.1	H275 N276 S320 A324 K326	H275-D322 IonicContact ND1-OD1 3.97Å; N276-D322 PolarHBondContact N-OD1 2.56Å; N276-D322 PolarHBondContact N-OD2 3.27Å; N276-D322 PolarHBondContact OD1-OD2 2.97Å; S320-D322 WeakPolarHBondContact CB-OD1 3.27Å; S320-D322 PolarHBondContact O-N 3.25Å; S320-D322 VanDerWaalsContact O-N 3.15Å; S320-D322 PolarHBondContact OG-OD1 3.05Å; D322-A324 VanDerWaalsContact C-N 3.32Å; D322-K326 WeakPolarHBondContact O-CD 3.4Å; D322-K326 WeakPolarHBondContact O-CG 3.23Å; D322-K326 PolarHBondContact O-N 3.06Å; D322-K326 IonicContact OD2-NZ 2.59Å; D322-K326 PolarHBondContact OD2-NZ 2.84Å
323	L	98.8	Very high	98.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-73.7	-21.6	176.2	-67.9	-170.5	0	0	0	113.2	Y277 F278 F319 S320 G321 E325 K326 I327 L348 I353	Y277-L323 VanDerWaalsContact O-CD1 3.32Å; Y277-L323 WeakPolarHBondContact O-CD1 3.25Å; F278-L323 HydrophobicContact CB-CD1 3.89Å; F278-L323 HydrophobicContact CD2-CD1 3.99Å; F278-L323 HydrophobicContact CG-CD1 4.46Å; F319-L323 HydrophobicContact CB-CB 4.43Å; F319-L323 HydrophobicContact CB-CD1 4.19Å; F319-L323 HydrophobicContact CD2-CB 3.98Å; S320-L323 WeakPolarHBondContact O-CB 3.35Å; S320-L323 PolarHBondContact O-N 3.49Å; G321-L323 PolarHBondContact O-N 2.8Å; G321-L323 VanDerWaalsContact O-N 3.15Å; L323-E325 PolarHBondContact O-N 3.09Å; L323-K326 HydrophobicContact CD2-CD 3.99Å; L323-K326 PolarHBondContact O-N 3.08Å; L323-I327 HydrophobicContact CB-CD1 4Å; L323-I327 HydrophobicContact CB-CG1 4.47Å; L323-I327 WeakPolarHBondContact O-CB 3.48Å; L323-I327 WeakPolarHBondContact O-CD1 3.29Å; L323-I327 WeakPolarHBondContact O-CG1 3.29Å; L323-I327 PolarHBondContact O-N 3.08Å; L323-L348 HydrophobicContact CD1-CD2 4.21Å; L323-I353 HydrophobicContact CD1-CG2 4.49Å; L323-I353 HydrophobicContact CD2-CD1 3.47Å; L323-I353 VanDerWaalsContact CD2-CD1 3.47Å
324	A	98.7	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.1	-51.5	177	0	0	0	0	0	110.9	M235 V238 F319 G321 D322 F328	M235-A324 HydrophobicContact SD-CB 4.31Å; V238-A324 HydrophobicContact CB-CB 4.07Å; V238-A324 HydrophobicContact CG1-CB 3.82Å; F319-A324 HydrophobicContact CE2-CB 4.04Å; G321-A324 VanDerWaalsContact O-CB 3.29Å; G321-A324 WeakPolarHBondContact O-CB 3.38Å; G321-A324 PolarHBondContact O-N 3.5Å; D322-A324 VanDerWaalsContact C-N 3.32Å; A324-F328 WeakPolarHBondContact O-CB 3.28Å; A324-F328 PolarHBondContact O-N 3.42Å
325	E	98.4	Very high	98.1	Very high	89 Å²	89	31.7 Å²	31.7	42%	0.416	17%	0.168	S	C	.	.	H	α-helix	trans	-68.3	-45.3	179.1	-171	-174.8	-160.5	0	0	111.8	A239 L323 I327 F328 K329	A239-E325 HydrophobicContact CB-CB 3.74Å; A239-E325 HydrophobicContact CB-CG 4.17Å; L323-E325 PolarHBondContact O-N 3.09Å; E325-I327 PolarHBondContact O-N 3.41Å; E325-F328 PolarHBondContact O-N 2.95Å; E325-K329 VanDerWaalsContact CD-NZ 3.32Å; E325-K329 HydrophobicContact CG-CD 4.01Å; E325-K329 HydrophobicContact CG-CG 4.33Å; E325-K329 WeakPolarHBondContact O-CB 3.37Å; E325-K329 WeakPolarHBondContact O-CG 3.49Å; E325-K329 PolarHBondContact O-N 2.86Å; E325-K329 WeakPolarHBondContact OE1-CE 3.33Å; E325-K329 IonicContact OE1-NZ 3.92Å; E325-K329 PolarHBondContact OE1-NZ 3.11Å; E325-K329 IonicContact OE2-NZ 3Å
326	K	98.7	Very high	98	Very high	73 Å²	73	36.2 Å²	36.2	32%	0.317	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-45.9	-179.8	-70.7	168.5	179.7	166.8	0	111.8	N276 D322 L323 V330 L351	N276-K326 PolarHBondContact OD1-NZ 3.29Å; D322-K326 WeakPolarHBondContact O-CD 3.4Å; D322-K326 WeakPolarHBondContact O-CG 3.23Å; D322-K326 PolarHBondContact O-N 3.06Å; D322-K326 IonicContact OD2-NZ 2.59Å; D322-K326 PolarHBondContact OD2-NZ 2.84Å; L323-K326 HydrophobicContact CD2-CD 3.99Å; L323-K326 PolarHBondContact O-N 3.08Å; K326-V330 WeakPolarHBondContact O-CB 3.48Å; K326-V330 WeakPolarHBondContact O-CG1 3.39Å; K326-V330 PolarHBondContact O-N 2.96Å; K326-L351 HydrophobicContact CB-CD1 3.91Å; K326-L351 HydrophobicContact CB-CD2 4.31Å
327	I	98.7	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-46.7	177.7	-68.9	167.3	0	0	0	109.9	M235 F278 L323 E325 V330 S331 V344 C347 L348 L351	M235-I327 HydrophobicContact CE-CD1 4.49Å; F278-I327 HydrophobicContact CD2-CD1 4.25Å; F278-I327 HydrophobicContact CE2-CD1 4.02Å; L323-I327 HydrophobicContact CB-CD1 4Å; L323-I327 HydrophobicContact CB-CG1 4.47Å; L323-I327 WeakPolarHBondContact O-CB 3.48Å; L323-I327 WeakPolarHBondContact O-CD1 3.29Å; L323-I327 WeakPolarHBondContact O-CG1 3.29Å; L323-I327 PolarHBondContact O-N 3.08Å; E325-I327 PolarHBondContact O-N 3.41Å; I327-V330 WeakPolarHBondContact O-CG1 3.38Å; I327-S331 VanDerWaalsContact O-CB 3.27Å; I327-S331 WeakPolarHBondContact O-CB 3.26Å; I327-S331 PolarHBondContact O-N 2.99Å; I327-V344 HydrophobicContact CD1-CG1 4.32Å; I327-C347 HydrophobicContact CG2-CB 4.03Å; I327-L348 HydrophobicContact CD1-CD2 4.08Å; I327-L348 HydrophobicContact CG1-CD2 4.34Å; I327-L351 HydrophobicContact CG1-CD1 4.24Å
328	F	98.3	Very high	97.8	Very high	22 Å²	22	37.4 Å²	37.4	10%	0.096	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-49.5	178.6	-179.4	-106.2	0	0	0	111.7	Y134 L232 M235 N236 A324 E325 V330 S331 L332	Y134-F328 HydrophobicContact CD1-CE2 4.15Å; Y134-F328 AromaticContact CD1-CZ 3.96Å; Y134-F328 HydrophobicContact CD1-CZ 3.96Å; Y134-F328 AromaticContact CD2-CE2 3.9Å; Y134-F328 HydrophobicContact CD2-CE2 3.9Å; Y134-F328 HydrophobicContact CD2-CZ 4.34Å; Y134-F328 HydrophobicContact CE1-CE2 4.33Å; Y134-F328 HydrophobicContact CE1-CZ 4.45Å; Y134-F328 HydrophobicContact CE2-CE2 4.06Å; Y134-F328 AromaticContact CG-CE2 3.95Å; Y134-F328 HydrophobicContact CG-CE2 3.95Å; Y134-F328 AromaticContact CG-CZ 3.92Å; Y134-F328 HydrophobicContact CG-CZ 3.92Å; L232-F328 HydrophobicContact CB-CD2 4.38Å; L232-F328 HydrophobicContact CD2-CD2 4.46Å; M235-F328 HydrophobicContact CB-CB 4.34Å; N236-F328 HydrophobicContact CB-CD1 4.18Å; N236-F328 HydrophobicContact CB-CD2 3.65Å; N236-F328 HydrophobicContact CB-CE1 4.12Å; N236-F328 HydrophobicContact CB-CE2 3.58Å; N236-F328 HydrophobicContact CB-CG 3.95Å; N236-F328 HydrophobicContact CB-CZ 3.82Å; N236-F328 VanDerWaalsContact CG-CZ 3.49Å; N236-F328 WeakPolarHBondContact OD1-CD1 3.3Å; N236-F328 WeakPolarHBondContact OD1-CE1 3.2Å; N236-F328 WeakPolarHBondContact OD1-CZ 3.13Å; A324-F328 WeakPolarHBondContact O-CB 3.28Å; A324-F328 PolarHBondContact O-N 3.42Å; E325-F328 PolarHBondContact O-N 2.95Å; F328-V330 PolarHBondContact O-N 3.15Å; F328-S331 WeakPolarHBondContact O-CB 3.44Å; F328-S331 PolarHBondContact O-N 3.15Å; F328-S331 PolarHBondContact O-OG 3.3Å; F328-L332 HydrophobicContact CE1-CD1 4.48Å; F328-L332 HydrophobicContact CE2-CD2 4.48Å; F328-L332 HydrophobicContact CZ-CD2 4.21Å
329	K	98.1	Very high	97.8	Very high	124 Å²	124	37.8 Å²	37.8	54%	0.539	19%	0.191	S	C	.	.	H	α-helix	trans	-61.1	-45.5	179.9	-75	-177.8	179.5	172.5	0	112.7	E325 S331 L332	E325-K329 VanDerWaalsContact CD-NZ 3.32Å; E325-K329 HydrophobicContact CG-CD 4.01Å; E325-K329 HydrophobicContact CG-CG 4.33Å; E325-K329 WeakPolarHBondContact O-CB 3.37Å; E325-K329 WeakPolarHBondContact O-CG 3.49Å; E325-K329 PolarHBondContact O-N 2.86Å; E325-K329 WeakPolarHBondContact OE1-CE 3.33Å; E325-K329 IonicContact OE1-NZ 3.92Å; E325-K329 PolarHBondContact OE1-NZ 3.11Å; E325-K329 IonicContact OE2-NZ 3Å; K329-S331 VanDerWaalsContact C-N 3.27Å; K329-S331 PolarHBondContact O-N 2.91Å; K329-L332 PolarHBondContact O-N 3.04Å
330	V	98.4	Very high	97.8	Very high	29 Å²	29	38.2 Å²	38.2	18%	0.176	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-32.2	179.3	80.5	0	0	0	0	111.4	K326 I327 F328 L332 G333 I334 C347 K350 L351	K326-V330 WeakPolarHBondContact O-CB 3.48Å; K326-V330 WeakPolarHBondContact O-CG1 3.39Å; K326-V330 PolarHBondContact O-N 2.96Å; I327-V330 WeakPolarHBondContact O-CG1 3.38Å; F328-V330 PolarHBondContact O-N 3.15Å; V330-L332 PolarHBondContact O-N 3.47Å; V330-G333 PolarHBondContact O-N 3.24Å; V330-G333 VanDerWaalsContact O-N 3.15Å; V330-I334 HydrophobicContact CG1-CD1 4.41Å; V330-I334 HydrophobicContact CG2-CD1 4.27Å; V330-I334 WeakPolarHBondContact O-CG1 3.47Å; V330-C347 HydrophobicContact CG1-CB 3.63Å; V330-K350 HydrophobicContact CG2-CB 4.02Å; V330-K350 HydrophobicContact CG2-CG 3.53Å; V330-L351 HydrophobicContact CB-CD2 4.11Å; V330-L351 HydrophobicContact CB-CG 4.23Å; V330-L351 HydrophobicContact CG1-CD1 3.92Å; V330-L351 HydrophobicContact CG1-CD2 4.36Å; V330-L351 HydrophobicContact CG1-CG 3.97Å; V330-L351 HydrophobicContact CG2-CD2 4.3Å; V330-L351 HydrophobicContact CG2-CG 4.36Å
331	S	97.9	Very high	97.8	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-31.6	-179.8	78.8	0	0	0	0	113.5	I327 F328 K329 G333 I334 Y343	I327-S331 VanDerWaalsContact O-CB 3.27Å; I327-S331 WeakPolarHBondContact O-CB 3.26Å; I327-S331 PolarHBondContact O-N 2.99Å; F328-S331 WeakPolarHBondContact O-CB 3.44Å; F328-S331 PolarHBondContact O-N 3.15Å; F328-S331 PolarHBondContact O-OG 3.3Å; K329-S331 VanDerWaalsContact C-N 3.27Å; K329-S331 PolarHBondContact O-N 2.91Å; S331-G333 PolarHBondContact O-N 3.44Å; S331-G333 VanDerWaalsContact O-N 3.14Å; S331-I334 PolarHBondContact O-N 3.34Å; S331-Y343 WeakPolarHBondContact CB-OH 3.4Å; S331-Y343 PolarHBondContact O-OH 3.03Å
332	L	96.4	Very high	97.8	Very high	74 Å²	74	39.5 Å²	39.5	39%	0.387	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.2	179.4	-58.6	179.4	0	0	0	112.5	F328 K329 V330	F328-L332 HydrophobicContact CE1-CD1 4.48Å; F328-L332 HydrophobicContact CE2-CD2 4.48Å; F328-L332 HydrophobicContact CZ-CD2 4.21Å; K329-L332 PolarHBondContact O-N 3.04Å; V330-L332 PolarHBondContact O-N 3.47Å
333	G	97	Very high	97.8	Very high	74 Å²	74	38 Å²	38	76%	0.763	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	2.2	176.4	0	0	0	0	0	115.1	V330 S331	V330-G333 PolarHBondContact O-N 3.24Å; V330-G333 VanDerWaalsContact O-N 3.15Å; S331-G333 PolarHBondContact O-N 3.44Å; S331-G333 VanDerWaalsContact O-N 3.14Å
334	I	96.3	Very high	97.8	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.072	19%	0.192	C	C	.	.	S	Bend	trans	-116.3	127.8	-176.1	-55.7	175.5	0	0	0	109.7	V330 S331 R336 Y343 I346 C347 K350	V330-I334 HydrophobicContact CG1-CD1 4.41Å; V330-I334 HydrophobicContact CG2-CD1 4.27Å; V330-I334 WeakPolarHBondContact O-CG1 3.47Å; S331-I334 PolarHBondContact O-N 3.34Å; I334-R336 PolarHBondContact O-N 3.12Å; I334-R336 VanDerWaalsContact O-N 3.12Å; I334-Y343 HydrophobicContact CB-CE2 4.13Å; I334-Y343 HydrophobicContact CG2-CE2 3.74Å; I334-Y343 PolarHBondContact O-OH 3.08Å; I334-I346 HydrophobicContact CD1-CG2 4.18Å; I334-I346 HydrophobicContact CG2-CG2 3.92Å; I334-C347 HydrophobicContact CD1-CB 4.49Å; I334-K350 HydrophobicContact CD1-CB 4.11Å; I334-K350 HydrophobicContact CD1-CG 4.31Å
335	R	95.7	Very high	97.8	Very high	111 Å²	111	38.3 Å²	38.3	42%	0.419	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-55.5	119.9	173.6	-174	174.7	-179	-160	-4.4	110	Y123 D301 L302 Y343	Y123-R335 PolarHBondContact OH-NH1 3.4Å; D301-R335 PolarHBondContact O-NH1 2.85Å; L302-R335 HydrophobicContact CD1-CG 3.98Å; L302-R335 VanDerWaalsContact CD1-CZ 3.42Å; L302-R335 VanDerWaalsContact CD1-NE 3.3Å; R335-Y343 WeakPolarHBondContact O-CE2 3.39Å
336	R	95.8	Very high	97.8	Very high	106 Å²	106	34.3 Å²	34.3	40%	0.4	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-65.1	132.4	-174.2	-179.6	165.9	33.7	74.9	7.2	112.3	T228 I334 Y343	T228-R336 HydrophobicContact CG2-CG 3.88Å; I334-R336 PolarHBondContact O-N 3.12Å; I334-R336 VanDerWaalsContact O-N 3.12Å; R336-Y343 VanDerWaalsContact CA-CE2 3.46Å; R336-Y343 HydrophobicContact CB-CE2 4.36Å
337	L	97.5	Very high	97.8	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-102.8	154.3	168.7	-53.9	-173.1	0	0	0	109.6	T228 M298 L302 Y303 V342 Y343 I346	T228-L337 VanDerWaalsContact CB-O 3.27Å; T228-L337 WeakPolarHBondContact CB-O 3.24Å; T228-L337 PolarHBondContact OG1-O 2.89Å; M298-L337 HydrophobicContact CE-CB 4.08Å; M298-L337 HydrophobicContact CE-CD1 4.01Å; M298-L337 HydrophobicContact CE-CD2 4.27Å; M298-L337 HydrophobicContact CE-CG 4.36Å; M298-L337 HydrophobicContact SD-CD1 4.41Å; M298-L337 HydrophobicContact SD-CD2 3.97Å; L302-L337 HydrophobicContact CD1-CD2 3.77Å; L302-L337 HydrophobicContact CD2-CD2 3.78Å; L302-L337 HydrophobicContact CG-CD2 3.45Å; L302-L337 VanDerWaalsContact CG-CD2 3.45Å; Y303-L337 HydrophobicContact CD2-CD1 4.05Å; L337-V342 HydrophobicContact CD1-CG1 4.09Å; L337-Y343 HydrophobicContact CB-CD2 4.14Å; L337-Y343 HydrophobicContact CG-CD2 4.14Å; L337-I346 HydrophobicContact CD1-CD1 3.41Å; L337-I346 VanDerWaalsContact CD1-CD1 3.41Å; L337-I346 HydrophobicContact CG-CD1 4.37Å
338	H	96.4	Very high	97.8	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.102	16%	0.159	C	C	.	.	S	Bend	trans	-81.3	-24.1	175.9	69	-63.8	0	0	0	113.4	Y225 T228 K295 Y297 E340	Y225-H338 HydrophobicContact CD1-CB 3.88Å; Y225-H338 AromaticContact CD1-CD2 3.43Å; Y225-H338 VanDerWaalsContact CD1-CD2 3.43Å; Y225-H338 WeakPolarHBondContact CD1-CD2 3.48Å; Y225-H338 AromaticContact CD1-CG 3.74Å; Y225-H338 AromaticContact CE1-CD2 3.61Å; Y225-H338 WeakPolarHBondContact O-CB 3.2Å; T228-H338 PolarHBondContact OG1-O 3.35Å; K295-H338 PolarHBondContact O-NE2 2.85Å; Y297-H338 PolarHBondContact O-CE1 2.71Å; Y297-H338 PolarHBondContact O-NE2 2.04Å; H338-E340 PolarHBondContact O-N 3.05Å
339	L	98.5	Very high	97.8	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.047	17%	0.167	C	C	.	.			trans	-73.5	93.4	169.9	-60.2	-176.3	0	0	0	109	Y224 W296 M298 D341 V342 Y343	Y224-L339 HydrophobicContact CE1-CD2 4.44Å; W296-L339 HydrophobicContact CB-CD2 4.49Å; M298-L339 HydrophobicContact CE-CB 4.33Å; M298-L339 HydrophobicContact CE-CD1 3.83Å; M298-L339 HydrophobicContact CE-CG 3.91Å; L339-D341 PolarHBondContact O-N 3.13Å; L339-V342 HydrophobicContact CB-CB 3.91Å; L339-V342 HydrophobicContact CB-CG2 3.93Å; L339-V342 HydrophobicContact CD1-CG2 4.12Å; L339-V342 PolarHBondContact O-N 3.06Å; L339-Y343 WeakPolarHBondContact O-CB 3.29Å; L339-Y343 PolarHBondContact O-N 3.16Å
340	E	98.4	Very high	97.9	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-55.1	-47.2	-174.1	-179	-87.4	129.2	0	0	113.1	L227 T228 T231 K250 Y317 H338 Y343 V344	L227-E340 HydrophobicContact CB-CB 3.95Å; L227-E340 HydrophobicContact CB-CG 4.41Å; T228-E340 VanDerWaalsContact OG1-CA 3.3Å; T228-E340 WeakPolarHBondContact OG1-CA 3.28Å; T231-E340 HydrophobicContact CG2-CG 4.31Å; T231-E340 WeakPolarHBondContact CG2-OE1 3.11Å; T231-E340 WeakPolarHBondContact OG1-CG 3.29Å; T231-E340 PolarHBondContact OG1-OE1 3.36Å; T231-E340 VanDerWaalsContact OG1-OE1 3.11Å; K250-E340 IonicContact NZ-OE2 3.99Å; K250-E340 PolarHBondContact NZ-OE2 3.41Å; Y317-E340 PolarHBondContact OH-OE1 2.95Å; H338-E340 PolarHBondContact O-N 3.05Å; E340-Y343 WeakPolarHBondContact O-CB 3.46Å; E340-Y343 PolarHBondContact O-N 3.41Å; E340-V344 WeakPolarHBondContact O-CG2 3.42Å; E340-V344 PolarHBondContact O-N 3.3Å; E340-V344 WeakPolarHBondContact OE1-CG2 3.45Å
341	D	98.6	Very high	97.9	Very high	31 Å²	31	31.4 Å²	31.4	17%	0.166	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-44.5	-179.3	55.2	-7.5	0	0	0	113.1	F311 C312 G314 L339 Y343 V344 G345	F311-D341 WeakPolarHBondContact CB-O 3.34Å; F311-D341 HydrophobicContact CD2-CB 3.93Å; F311-D341 HydrophobicContact CE2-CB 4.31Å; C312-D341 WeakPolarHBondContact O-CB 3.38Å; G314-D341 PolarHBondContact N-OD2 3.2Å; L339-D341 PolarHBondContact O-N 3.13Å; D341-Y343 VanDerWaalsContact C-N 3.32Å; D341-Y343 PolarHBondContact O-N 3.33Å; D341-V344 PolarHBondContact O-N 2.95Å; D341-G345 PolarHBondContact O-N 3.2Å
342	V	98.7	Very high	97.9	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-43.6	171.7	175.8	0	0	0	0	110.7	Y308 F311 L337 L339 G345 I346	Y308-V342 HydrophobicContact CD1-CG1 3.37Å; Y308-V342 HydrophobicContact CD2-CG1 4.1Å; Y308-V342 HydrophobicContact CD2-CG2 3.94Å; Y308-V342 HydrophobicContact CE1-CG1 3.51Å; Y308-V342 HydrophobicContact CE2-CG1 4.19Å; Y308-V342 HydrophobicContact CE2-CG2 3.9Å; Y308-V342 HydrophobicContact CG-CG1 3.67Å; Y308-V342 HydrophobicContact CG-CG2 4.32Å; F311-V342 HydrophobicContact CD1-CG2 4.33Å; F311-V342 HydrophobicContact CD2-CG2 4.3Å; F311-V342 HydrophobicContact CE1-CG2 3.98Å; F311-V342 HydrophobicContact CE2-CG2 3.93Å; F311-V342 HydrophobicContact CG-CG2 4.5Å; F311-V342 HydrophobicContact CZ-CG2 3.77Å; L337-V342 HydrophobicContact CD1-CG1 4.09Å; L339-V342 HydrophobicContact CB-CB 3.91Å; L339-V342 HydrophobicContact CB-CG2 3.93Å; L339-V342 HydrophobicContact CD1-CG2 4.12Å; L339-V342 PolarHBondContact O-N 3.06Å; V342-G345 WeakPolarHBondContact O-CA 3.4Å; V342-G345 PolarHBondContact O-N 3.4Å; V342-I346 HydrophobicContact CG1-CD1 4.09Å; V342-I346 WeakPolarHBondContact O-CG1 3.28Å; V342-I346 PolarHBondContact O-N 2.86Å
343	Y	98.7	Very high	98	Very high	3 Å²	3	38 Å²	38	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-42.8	-179.6	-174.2	-100.6	0	0	0	112.3	T228 L232 S331 I334 R335 R336 L337 L339 E340 D341 G345 I346 C347	T228-Y343 HydrophobicContact CG2-CD1 3.25Å; T228-Y343 HydrophobicContact CG2-CD2 4.46Å; T228-Y343 HydrophobicContact CG2-CE1 3.74Å; T228-Y343 HydrophobicContact CG2-CG 3.64Å; L232-Y343 HydrophobicContact CD1-CE1 4Å; L232-Y343 HydrophobicContact CD2-CE1 4.34Å; S331-Y343 WeakPolarHBondContact CB-OH 3.4Å; S331-Y343 PolarHBondContact O-OH 3.03Å; I334-Y343 HydrophobicContact CB-CE2 4.13Å; I334-Y343 HydrophobicContact CG2-CE2 3.74Å; I334-Y343 PolarHBondContact O-OH 3.08Å; R335-Y343 WeakPolarHBondContact O-CE2 3.39Å; R336-Y343 VanDerWaalsContact CA-CE2 3.46Å; R336-Y343 HydrophobicContact CB-CE2 4.36Å; L337-Y343 HydrophobicContact CB-CD2 4.14Å; L337-Y343 HydrophobicContact CG-CD2 4.14Å; L339-Y343 WeakPolarHBondContact O-CB 3.29Å; L339-Y343 PolarHBondContact O-N 3.16Å; E340-Y343 WeakPolarHBondContact O-CB 3.46Å; E340-Y343 PolarHBondContact O-N 3.41Å; D341-Y343 VanDerWaalsContact C-N 3.32Å; D341-Y343 PolarHBondContact O-N 3.33Å; Y343-G345 VanDerWaalsContact C-N 3.31Å; Y343-G345 PolarHBondContact O-N 3.42Å; Y343-I346 PolarHBondContact O-N 3.42Å; Y343-C347 PolarHBondContact O-N 3.42Å; Y343-C347 PolarHBondContact O-SG 2.95Å
344	V	98.8	Very high	98.1	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.024	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-41.5	172.4	172.9	0	0	0	0	110.7	T231 F278 I327 E340 D341 I346 C347 L348	T231-V344 HydrophobicContact CG2-CG2 4.23Å; F278-V344 HydrophobicContact CE2-CG1 3.74Å; F278-V344 HydrophobicContact CZ-CG1 3.61Å; I327-V344 HydrophobicContact CD1-CG1 4.32Å; E340-V344 WeakPolarHBondContact O-CG2 3.42Å; E340-V344 PolarHBondContact O-N 3.3Å; E340-V344 WeakPolarHBondContact OE1-CG2 3.45Å; D341-V344 PolarHBondContact O-N 2.95Å; V344-I346 VanDerWaalsContact C-N 3.32Å; V344-I346 PolarHBondContact O-N 2.84Å; V344-C347 WeakPolarHBondContact O-CB 3.31Å; V344-C347 PolarHBondContact O-N 3.42Å; V344-C347 VanDerWaalsContact O-N 3.15Å; V344-L348 HydrophobicContact CG1-CD1 4.28Å; V344-L348 HydrophobicContact CG1-CG 4.48Å; V344-L348 WeakPolarHBondContact O-CG 3.26Å; V344-L348 PolarHBondContact O-N 2.87Å
345	G	98.7	Very high	98.2	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-58.9	-38.8	173	0	0	0	0	0	114	D341 V342 Y343 L348 A349	D341-G345 PolarHBondContact O-N 3.2Å; V342-G345 WeakPolarHBondContact O-CA 3.4Å; V342-G345 PolarHBondContact O-N 3.4Å; Y343-G345 VanDerWaalsContact C-N 3.31Å; Y343-G345 PolarHBondContact O-N 3.42Å; G345-L348 PolarHBondContact O-N 3.48Å; G345-A349 WeakPolarHBondContact O-CB 3.4Å; G345-A349 PolarHBondContact O-N 3.24Å
346	I	98.7	Very high	98.3	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-41.1	174.2	-66.8	164.5	0	0	0	111	Y303 P309 I334 L337 V342 Y343 V344 A349 K350	Y303-I346 HydrophobicContact CD2-CD1 4.07Å; Y303-I346 HydrophobicContact CE2-CD1 3.58Å; Y303-I346 HydrophobicContact CE2-CG1 4.28Å; P309-I346 HydrophobicContact CG-CG1 3.88Å; I334-I346 HydrophobicContact CD1-CG2 4.18Å; I334-I346 HydrophobicContact CG2-CG2 3.92Å; L337-I346 HydrophobicContact CD1-CD1 3.41Å; L337-I346 VanDerWaalsContact CD1-CD1 3.41Å; L337-I346 HydrophobicContact CG-CD1 4.37Å; V342-I346 HydrophobicContact CG1-CD1 4.09Å; V342-I346 WeakPolarHBondContact O-CG1 3.28Å; V342-I346 PolarHBondContact O-N 2.86Å; Y343-I346 PolarHBondContact O-N 3.42Å; V344-I346 VanDerWaalsContact C-N 3.32Å; V344-I346 PolarHBondContact O-N 2.84Å; I346-A349 PolarHBondContact O-N 3.32Å; I346-K350 WeakPolarHBondContact O-CB 3.31Å; I346-K350 PolarHBondContact O-N 3.02Å
347	C	98.8	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-46.2	175	-64.2	0	0	0	0	111.2	I327 V330 I334 Y343 V344 K350 L351	I327-C347 HydrophobicContact CG2-CB 4.03Å; V330-C347 HydrophobicContact CG1-CB 3.63Å; I334-C347 HydrophobicContact CD1-CB 4.49Å; Y343-C347 PolarHBondContact O-N 3.42Å; Y343-C347 PolarHBondContact O-SG 2.95Å; V344-C347 WeakPolarHBondContact O-CB 3.31Å; V344-C347 PolarHBondContact O-N 3.42Å; V344-C347 VanDerWaalsContact O-N 3.15Å; C347-K350 PolarHBondContact O-N 2.9Å; C347-L351 VanDerWaalsContact O-CG 3.31Å; C347-L351 WeakPolarHBondContact O-CG 3.3Å; C347-L351 PolarHBondContact O-N 3.39Å
348	L	98.9	Very high	98.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-44.8	176.2	-71.3	174.4	0	0	0	112.2	F278 L323 I327 V344 G345 K350 L351 R352 I353 P355	F278-L348 HydrophobicContact CB-CD1 4.2Å; F278-L348 HydrophobicContact CB-CD2 4.35Å; F278-L348 HydrophobicContact CD1-CD1 3.8Å; F278-L348 HydrophobicContact CD2-CD1 3.73Å; F278-L348 HydrophobicContact CD2-CD2 3.91Å; F278-L348 HydrophobicContact CD2-CG 4.35Å; F278-L348 HydrophobicContact CE1-CD1 4.04Å; F278-L348 HydrophobicContact CE2-CD1 3.98Å; F278-L348 HydrophobicContact CG-CD1 3.64Å; F278-L348 HydrophobicContact CG-CD2 4.26Å; F278-L348 HydrophobicContact CZ-CD1 4.11Å; L323-L348 HydrophobicContact CD1-CD2 4.21Å; I327-L348 HydrophobicContact CD1-CD2 4.08Å; I327-L348 HydrophobicContact CG1-CD2 4.34Å; V344-L348 HydrophobicContact CG1-CD1 4.28Å; V344-L348 HydrophobicContact CG1-CG 4.48Å; V344-L348 WeakPolarHBondContact O-CG 3.26Å; V344-L348 PolarHBondContact O-N 2.87Å; G345-L348 PolarHBondContact O-N 3.48Å; L348-K350 VanDerWaalsContact C-N 3.35Å; L348-K350 PolarHBondContact O-N 3.28Å; L348-L351 CarbonylContact O-C 3.2Å; L348-L351 PolarHBondContact O-N 2.74Å; L348-L351 VanDerWaalsContact O-N 3.13Å; L348-R352 PolarHBondContact O-N 2.88Å; L348-I353 WeakPolarHBondContact CB-O 3.5Å; L348-I353 HydrophobicContact CD2-CB 4.24Å; L348-I353 HydrophobicContact CD2-CG2 4.12Å; L348-I353 PolarHBondContact O-N 2.74Å; L348-P355 HydrophobicContact CD1-CG 3.98Å
349	A	98.5	Very high	97.9	Very high	30 Å²	30	41.2 Å²	41.2	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-41.2	175.9	0	0	0	0	0	112.2	L112 P309 G345 I346 L351 R352	L112-A349 HydrophobicContact CD2-CB 3.93Å; P309-A349 HydrophobicContact CB-CB 3.75Å; P309-A349 HydrophobicContact CG-CB 4.09Å; G345-A349 WeakPolarHBondContact O-CB 3.4Å; G345-A349 PolarHBondContact O-N 3.24Å; I346-A349 PolarHBondContact O-N 3.32Å; A349-L351 VanDerWaalsContact C-N 3.27Å; A349-L351 PolarHBondContact O-N 2.88Å; A349-R352 PolarHBondContact O-N 3.32Å
350	K	98.5	Very high	97.6	Very high	104 Å²	104	44.4 Å²	44.4	45%	0.452	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-32.7	175.5	-173.5	64.2	175	-177.1	0	112.1	V330 I334 I346 C347 L348 R352	V330-K350 HydrophobicContact CG2-CB 4.02Å; V330-K350 HydrophobicContact CG2-CG 3.53Å; I334-K350 HydrophobicContact CD1-CB 4.11Å; I334-K350 HydrophobicContact CD1-CG 4.31Å; I346-K350 WeakPolarHBondContact O-CB 3.31Å; I346-K350 PolarHBondContact O-N 3.02Å; C347-K350 PolarHBondContact O-N 2.9Å; L348-K350 VanDerWaalsContact C-N 3.35Å; L348-K350 PolarHBondContact O-N 3.28Å; K350-R352 VanDerWaalsContact C-N 3.29Å
351	L	98.7	Very high	97	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.277	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.1	174	-68.1	166.9	0	0	0	113.6	K326 I327 V330 C347 L348 A349 I353	K326-L351 HydrophobicContact CB-CD1 3.91Å; K326-L351 HydrophobicContact CB-CD2 4.31Å; I327-L351 HydrophobicContact CG1-CD1 4.24Å; V330-L351 HydrophobicContact CB-CD2 4.11Å; V330-L351 HydrophobicContact CB-CG 4.23Å; V330-L351 HydrophobicContact CG1-CD1 3.92Å; V330-L351 HydrophobicContact CG1-CD2 4.36Å; V330-L351 HydrophobicContact CG1-CG 3.97Å; V330-L351 HydrophobicContact CG2-CD2 4.3Å; V330-L351 HydrophobicContact CG2-CG 4.36Å; C347-L351 VanDerWaalsContact O-CG 3.31Å; C347-L351 WeakPolarHBondContact O-CG 3.3Å; C347-L351 PolarHBondContact O-N 3.39Å; L348-L351 CarbonylContact O-C 3.2Å; L348-L351 PolarHBondContact O-N 2.74Å; L348-L351 VanDerWaalsContact O-N 3.13Å; A349-L351 VanDerWaalsContact C-N 3.27Å; A349-L351 PolarHBondContact O-N 2.88Å; L351-I353 VanDerWaalsContact C-N 3.32Å; L351-I353 HydrophobicContact CB-CD1 3.95Å; L351-I353 HydrophobicContact CB-CG1 4.01Å
352	R	98.6	Very high	96.7	Very high	198 Å²	198	54.1 Å²	54.1	75%	0.747	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	41.3	-173.3	-56.3	179.3	173.7	175.3	-4	112.8	E113 L348 A349 K350	E113-R352 IonicContact OE1-CZ 3.31Å; E113-R352 IonicContact OE1-NH2 2.68Å; E113-R352 PolarHBondContact OE1-NH2 2.79Å; L348-R352 PolarHBondContact O-N 2.88Å; A349-R352 PolarHBondContact O-N 3.32Å; K350-R352 VanDerWaalsContact C-N 3.29Å
353	I	98.6	Very high	96.6	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.082	28%	0.279	C	S	.	.			trans	-116.4	114.5	178.5	-60.5	178.5	0	0	0	108.2	N276 L323 L348 L351	N276-I353 HydrophobicContact CB-CD1 3.97Å; N276-I353 HydrophobicContact CB-CG1 4.43Å; N276-I353 HydrophobicContact CB-CG2 4.46Å; N276-I353 WeakPolarHBondContact O-CG2 3.33Å; N276-I353 WeakPolarHBondContact OD1-CD1 3.23Å; L323-I353 HydrophobicContact CD1-CG2 4.49Å; L323-I353 HydrophobicContact CD2-CD1 3.47Å; L323-I353 VanDerWaalsContact CD2-CD1 3.47Å; L348-I353 WeakPolarHBondContact CB-O 3.5Å; L348-I353 HydrophobicContact CD2-CB 4.24Å; L348-I353 HydrophobicContact CD2-CG2 4.12Å; L348-I353 PolarHBondContact O-N 2.74Å; L351-I353 VanDerWaalsContact C-N 3.32Å; L351-I353 HydrophobicContact CB-CD1 3.95Å; L351-I353 HydrophobicContact CB-CG1 4.01Å
354	D	97.9	Very high	96.6	Very high	130 Å²	130	54.1 Å²	54.1	70%	0.695	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-86.8	132.2	177.9	-71.6	-45.5	0	0	0	111.2	V356	D354-V356 PolarHBondContact O-N 3.09Å
355	P	98.3	Very high	96.6	Very high	7 Å²	7	54.2 Å²	54.2	5%	0.045	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-55.7	130.2	168.5	-24.9	33.6	0	0	0	111.6	F278 L282 V310 L348	F278-P355 HydrophobicContact CD1-CB 4.44Å; F278-P355 CarbonylContact O-C 3.59Å; F278-P355 WeakPolarHBondContact O-CA 3.3Å; L282-P355 HydrophobicContact CD1-CB 4.48Å; L282-P355 HydrophobicContact CD2-CB 4.23Å; L282-P355 WeakPolarHBondContact CD2-O 3.36Å; L282-P355 HydrophobicContact CG-CB 4.13Å; V310-P355 HydrophobicContact CG1-CG 4.27Å; L348-P355 HydrophobicContact CD1-CG 3.98Å
356	V	97.8	Very high	96.4	Very high	58 Å²	58	56.6 Å²	56.6	35%	0.352	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-89.1	128.2	-179.7	-175.3	0	0	0	0	109.1	Y277 F278 T279 D354	Y277-V356 HydrophobicContact CD2-CB 4.24Å; Y277-V356 HydrophobicContact CD2-CG2 4.07Å; Y277-V356 HydrophobicContact CE2-CB 3.9Å; Y277-V356 HydrophobicContact CE2-CG1 4.19Å; Y277-V356 HydrophobicContact CE2-CG2 4.23Å; F278-V356 PolarHBondContact O-N 2.66Å; T279-V356 VanDerWaalsContact CB-O 3.3Å; T279-V356 WeakPolarHBondContact CB-O 3.33Å; T279-V356 PolarHBondContact OG1-O 2.99Å; D354-V356 PolarHBondContact O-N 3.09Å
357	P	96.7	Very high	96.4	Very high	76 Å²	76	60.9 Å²	60.9	49%	0.494	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-61.3	140.7	175	26.1	-33.4	0	0	0	110.4	L282	L282-P357 HydrophobicContact CD2-CB 4.29Å
358	P	94.8	Very high	96.3	Very high	15 Å²	15	64 Å²	64	10%	0.097	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-62.7	161.6	171.6	29	-36.1	0	0	0	110.4	G280 N360 V363 F364	G280-P358 WeakPolarHBondContact O-CD 3.46Å; P358-N360 WeakPolarHBondContact CG-O 3.48Å; P358-N360 PolarHBondContact O-N 2.83Å; P358-V363 HydrophobicContact CB-CG2 3.51Å; P358-V363 HydrophobicContact CG-CG2 3.95Å; P358-F364 HydrophobicContact CB-CD2 4.03Å; P358-F364 HydrophobicContact CB-CE2 4.21Å; P358-F364 HydrophobicContact CG-CD2 4.09Å
359	P	91.6	Very high	96.3	Very high	114 Å²	114	64.7 Å²	64.7	74%	0.74	32%	0.321	S	S	*	.	S	Bend	trans	-55.1	-22.1	178.5	-26.4	34.4	0	0	0	114.7	L266	L266-P359 HydrophobicContact CD1-CG 4.2Å
360	N	90.9	Very high	96.1	Very high	76 Å²	76	66.9 Å²	66.9	41%	0.406	34%	0.335	S	S	.	.	S	Bend	trans	-145.6	132.1	173.9	176.2	-16.5	0	0	0	108.5	P358 F362 V363	P358-N360 WeakPolarHBondContact CG-O 3.48Å; P358-N360 PolarHBondContact O-N 2.83Å; N360-F362 PolarHBondContact O-N 2.96Å; N360-F362 WeakPolarHBondContact OD1-CD2 3.38Å; N360-F362 PolarHBondContact OD1-N 3.14Å; N360-V363 HydrophobicContact CB-CG1 4.12Å; N360-V363 VanDerWaalsContact O-CG2 3.25Å; N360-V363 WeakPolarHBondContact O-CG2 3.45Å; N360-V363 PolarHBondContact O-N 3.38Å
361	E	86.4	Confident	96	Very high	127 Å²	127	64.6 Å²	64.6	59%	0.593	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.7	-179.4	64.3	-175	174	0	0	114.4	V363	E361-V363 VanDerWaalsContact C-N 3.34Å; E361-V363 PolarHBondContact O-N 3.01Å
362	F	91.6	Very high	95.8	Very high	116 Å²	116	64 Å²	64	51%	0.509	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.5	-177.6	-57.5	-67.2	0	0	0	114.4	N360 N365	N360-F362 PolarHBondContact O-N 2.96Å; N360-F362 WeakPolarHBondContact OD1-CD2 3.38Å; N360-F362 PolarHBondContact OD1-N 3.14Å; F362-N365 PolarHBondContact O-ND2 3.28Å; F362-N365 PolarHBondContact O-OD1 2.69Å
363	V	97.3	Very high	95.6	Very high	5 Å²	5	55 Å²	55	3%	0.03	29%	0.292	C	S	.	.	S	Bend	trans	-82.5	-35.8	177.6	-55.9	0	0	0	0	112.2	Y261 P358 N360 E361 I380 T381	Y261-V363 HydrophobicContact CE1-CG1 4.06Å; P358-V363 HydrophobicContact CB-CG2 3.51Å; P358-V363 HydrophobicContact CG-CG2 3.95Å; N360-V363 HydrophobicContact CB-CG1 4.12Å; N360-V363 VanDerWaalsContact O-CG2 3.25Å; N360-V363 WeakPolarHBondContact O-CG2 3.45Å; N360-V363 PolarHBondContact O-N 3.38Å; E361-V363 VanDerWaalsContact C-N 3.34Å; E361-V363 PolarHBondContact O-N 3.01Å; V363-I380 HydrophobicContact CB-CD1 4.23Å; V363-I380 HydrophobicContact CB-CG1 4.21Å; V363-I380 HydrophobicContact CG2-CD1 4.05Å; V363-I380 WeakPolarHBondContact O-CA 3.4Å; V363-I380 WeakPolarHBondContact O-CB 3.4Å; V363-I380 PolarHBondContact O-N 3.42Å; V363-T381 PolarHBondContact O-N 3.32Å
364	F	98.1	Very high	95.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-101.8	108.5	172.7	-73.2	-83.6	0	0	0	109.1	L266 T279 Y281 V318 P358 I380 T381	L266-F364 HydrophobicContact CD2-CE2 3.77Å; L266-F364 HydrophobicContact CD2-CZ 3.79Å; T279-F364 HydrophobicContact CG2-CE2 4.11Å; T279-F364 HydrophobicContact CG2-CZ 4.27Å; Y281-F364 WeakPolarHBondContact CD2-O 3.28Å; V318-F364 HydrophobicContact CB-CZ 4.48Å; V318-F364 HydrophobicContact CG2-CE1 4.04Å; V318-F364 HydrophobicContact CG2-CZ 3.83Å; P358-F364 HydrophobicContact CB-CD2 4.03Å; P358-F364 HydrophobicContact CB-CE2 4.21Å; P358-F364 HydrophobicContact CG-CD2 4.09Å; F364-I380 HydrophobicContact CD1-CB 4.47Å; F364-I380 HydrophobicContact CD1-CG2 4.23Å; F364-I380 HydrophobicContact CD2-CD1 4.45Å; F364-I380 HydrophobicContact CE1-CB 4.3Å; F364-I380 HydrophobicContact CE1-CD1 4.43Å; F364-I380 HydrophobicContact CE1-CG2 3.74Å; F364-I380 HydrophobicContact CE2-CD1 3.78Å; F364-I380 HydrophobicContact CZ-CB 4.47Å; F364-I380 HydrophobicContact CZ-CD1 3.77Å; F364-I380 HydrophobicContact CZ-CG2 4.1Å; F364-T381 WeakPolarHBondContact CA-OG1 3.41Å; F364-T381 HydrophobicContact CD1-CG2 4.02Å; F364-T381 HydrophobicContact CE1-CG2 4.38Å
365	N	98.1	Very high	95.3	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.037	28%	0.284	C	S	.	.			trans	-111.8	118.5	179.5	-53	-95.9	0	0	0	109.6	F362 W367 V369 T381	F362-N365 PolarHBondContact O-ND2 3.28Å; F362-N365 PolarHBondContact O-OD1 2.69Å; N365-W367 HydrophobicContact CB-CD2 4.26Å; N365-W367 HydrophobicContact CB-CZ2 4.22Å; N365-W367 PolarHBondContact O-N 3.19Å; N365-W367 WeakPolarHBondContact OD1-CZ2 3.39Å; N365-V369 HydrophobicContact CB-CG2 3.56Å; N365-V369 VanDerWaalsContact CG-CG2 3.42Å; N365-T381 VanDerWaalsContact CB-O 3.28Å; N365-T381 WeakPolarHBondContact CB-O 3.37Å; N365-T381 PolarHBondContact N-O 3.49Å; N365-T381 PolarHBondContact N-OG1 3.12Å; N365-T381 PolarHBondContact ND2-O 3.36Å; N365-T381 PolarHBondContact O-OG1 2.91Å
366	H	96.3	Very high	95.2	Very high	51 Å²	51	53.9 Å²	53.9	24%	0.236	28%	0.282	C	S	.	.	S	Bend	trans	-85	4.7	175.6	70.3	-84.3	0	0	0	113.1	Y281 S313 T315 H383	Y281-H366 AromaticContact CD1-CE1 3.64Å; Y281-H366 AromaticContact CD1-ND1 3.17Å; Y281-H366 WeakPolarHBondContact CD1-ND1 3.33Å; Y281-H366 AromaticContact CD2-ND1 3.89Å; Y281-H366 AromaticContact CE1-CE1 3.18Å; Y281-H366 WeakPolarHBondContact CE1-CE1 3.46Å; Y281-H366 AromaticContact CE1-ND1 3.24Å; Y281-H366 WeakPolarHBondContact CE1-ND1 3.42Å; Y281-H366 AromaticContact CE2-ND1 3.94Å; Y281-H366 AromaticContact CG-ND1 3.51Å; Y281-H366 AromaticContact CZ-CE1 3.47Å; Y281-H366 VanDerWaalsContact CZ-CE1 3.47Å; Y281-H366 AromaticContact CZ-ND1 3.62Å; S313-H366 VanDerWaalsContact OG-CB 3.23Å; S313-H366 WeakPolarHBondContact OG-CB 3.15Å; T315-H366 HydrophobicContact CG2-CB 3.88Å; T315-H366 WeakPolarHBondContact OG1-CA 3.24Å; T315-H366 WeakPolarHBondContact OG1-CB 3.31Å; H366-H383 PolarHBondContact O-ND1 3.4Å
367	W	97.6	Very high	95.1	Very high	95 Å²	95	52.2 Å²	52.2	36%	0.36	27%	0.273	S	S	.	.	S	Bend	trans	-120.1	170.2	175.1	61.6	89	0	0	0	111.1	Y281 N365 V369 S382 H383	Y281-W367 HydrophobicContact CD2-CH2 4.38Å; Y281-W367 HydrophobicContact CD2-CZ3 4.1Å; Y281-W367 AromaticContact CE2-CH2 3.76Å; Y281-W367 HydrophobicContact CE2-CH2 3.76Å; Y281-W367 AromaticContact CE2-CZ3 3.53Å; Y281-W367 HydrophobicContact CE2-CZ3 3.53Å; Y281-W367 AromaticContact CZ-CZ3 3.82Å; N365-W367 HydrophobicContact CB-CD2 4.26Å; N365-W367 HydrophobicContact CB-CZ2 4.22Å; N365-W367 PolarHBondContact O-N 3.19Å; N365-W367 WeakPolarHBondContact OD1-CZ2 3.39Å; W367-V369 PolarHBondContact O-N 3.03Å; W367-S382 PolarHBondContact O-OG 3.2Å; W367-H383 PolarHBondContact O-N 3.45Å; W367-H383 VanDerWaalsContact O-N 3.12Å
368	R	97.6	Very high	95.1	Very high	64 Å²	64	53.8 Å²	53.8	24%	0.242	27%	0.274	C	S	.	.			trans	-72.2	111.3	173.8	-172.1	76.1	168.7	94.8	-5.8	110.4	Y376 H383 Q384 E389	R368-Y376 PolarHBondContact NH1-OH 2.86Å; R368-H383 WeakPolarHBondContact CA-O 3.43Å; R368-H383 WeakPolarHBondContact CD-O 3.39Å; R368-Q384 WeakPolarHBondContact CD-O 3.43Å; R368-Q384 PolarHBondContact NE-O 2.72Å; R368-E389 IonicContact CZ-OE1 3.99Å; R368-E389 IonicContact NH2-OE1 2.91Å; R368-E389 PolarHBondContact NH2-OE1 3.46Å
369	V	97.2	Very high	95.2	Very high	17 Å²	17	53.3 Å²	53.3	10%	0.103	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-80.3	129.4	170.1	-178.2	0	0	0	0	109	N365 W367 Y371 K375 Y376 L379 S382	N365-V369 HydrophobicContact CB-CG2 3.56Å; N365-V369 VanDerWaalsContact CG-CG2 3.42Å; W367-V369 PolarHBondContact O-N 3.03Å; V369-Y371 PolarHBondContact O-N 3.31Å; V369-K375 HydrophobicContact CG1-CB 4.48Å; V369-K375 HydrophobicContact CG1-CD 4.12Å; V369-Y376 HydrophobicContact CB-CE2 4.12Å; V369-Y376 HydrophobicContact CG1-CE2 4.06Å; V369-Y376 PolarHBondContact O-OH 3.41Å; V369-L379 HydrophobicContact CB-CD2 4.15Å; V369-L379 HydrophobicContact CG1-CD2 4.04Å; V369-L379 HydrophobicContact CG2-CD2 4.14Å; V369-S382 PolarHBondContact N-OG 3.23Å
370	S	96.3	Very high	95.5	Very high	76 Å²	76	47.9 Å²	47.9	53%	0.531	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-56.4	128	174.5	46.3	0	0	0	0	111.2	S372 K375	S370-S372 PolarHBondContact O-N 3.34Å; S370-K375 PolarHBondContact OG-NZ 3.26Å
371	Y	95.4	Very high	95.9	Very high	56 Å²	56	44.3 Å²	44.3	22%	0.22	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-69.4	129.7	-171.6	-176.4	-97.7	0	0	0	112.6	V369 Y376 Y393 H396 L397	V369-Y371 PolarHBondContact O-N 3.31Å; Y371-Y376 AromaticContact CD2-CD1 3.89Å; Y371-Y376 HydrophobicContact CD2-CD1 3.89Å; Y371-Y376 AromaticContact CD2-CD2 3.67Å; Y371-Y376 HydrophobicContact CD2-CD2 3.67Å; Y371-Y376 AromaticContact CD2-CE1 3.99Å; Y371-Y376 HydrophobicContact CD2-CE1 3.99Å; Y371-Y376 AromaticContact CD2-CE2 3.79Å; Y371-Y376 HydrophobicContact CD2-CE2 3.79Å; Y371-Y376 AromaticContact CD2-CG 3.73Å; Y371-Y376 HydrophobicContact CD2-CG 3.73Å; Y371-Y376 AromaticContact CD2-CZ 3.93Å; Y371-Y376 HydrophobicContact CE2-CD1 4Å; Y371-Y376 HydrophobicContact CE2-CD2 4.17Å; Y371-Y376 HydrophobicContact CE2-CE1 4.5Å; Y371-Y376 AromaticContact CE2-CG 3.82Å; Y371-Y376 HydrophobicContact CE2-CG 3.82Å; Y371-Y376 HydrophobicContact CG-CD2 4.47Å; Y371-Y376 HydrophobicContact CG-CE2 4.43Å; Y371-Y393 AromaticContact CD1-CD1 3.42Å; Y371-Y393 HydrophobicContact CD1-CD1 3.42Å; Y371-Y393 VanDerWaalsContact CD1-CD1 3.42Å; Y371-Y393 AromaticContact CD1-CE1 3.57Å; Y371-Y393 HydrophobicContact CD1-CE1 3.57Å; Y371-Y393 HydrophobicContact CD1-CG 4.39Å; Y371-Y393 AromaticContact CD2-CD1 3.52Å; Y371-Y393 HydrophobicContact CD2-CD1 3.52Å; Y371-Y393 HydrophobicContact CD2-CD2 4.41Å; Y371-Y393 HydrophobicContact CD2-CE1 4.15Å; Y371-Y393 AromaticContact CD2-CG 3.66Å; Y371-Y393 HydrophobicContact CD2-CG 3.66Å; Y371-Y393 AromaticContact CE1-CD1 3.57Å; Y371-Y393 HydrophobicContact CE1-CD1 3.57Å; Y371-Y393 HydrophobicContact CE1-CE1 4.13Å; Y371-Y393 HydrophobicContact CE1-CG 4.49Å; Y371-Y393 AromaticContact CE2-CD1 3.67Å; Y371-Y393 HydrophobicContact CE2-CD1 3.67Å; Y371-Y393 AromaticContact CE2-CG 3.78Å; Y371-Y393 HydrophobicContact CE2-CG 3.78Å; Y371-Y393 AromaticContact CG-CD1 3.38Å; Y371-Y393 HydrophobicContact CG-CD1 3.38Å; Y371-Y393 AromaticContact CG-CE1 3.57Å; Y371-Y393 HydrophobicContact CG-CE1 3.57Å; Y371-Y393 AromaticContact CG-CG 3.97Å; Y371-Y393 HydrophobicContact CG-CG 3.97Å; Y371-Y393 AromaticContact CZ-CD1 3.67Å; Y371-Y393 PolarHBondContact OH-O 2.92Å; Y371-H396 AromaticContact CE1-ND1 3.54Å; Y371-H396 AromaticContact CZ-ND1 3.62Å; Y371-H396 WeakPolarHBondContact OH-CB 3.43Å; Y371-H396 PolarHBondContact OH-ND1 3.12Å; Y371-L397 PolarHBondContact OH-N 2.78Å
372	S	94.9	Very high	96.4	Very high	40 Å²	40	38.3 Å²	38.3	28%	0.28	19%	0.188	S	C	.	.			trans	-152.7	147.9	157.1	63.2	0	0	0	0	106.7	S370 C374 K375 Y376	S370-S372 PolarHBondContact O-N 3.34Å; S372-C374 PolarHBondContact O-N 3.19Å; S372-K375 PolarHBondContact O-N 2.98Å; S372-K375 WeakPolarHBondContact OG-CB 3.5Å; S372-K375 VanDerWaalsContact OG-CG 3.28Å; S372-K375 WeakPolarHBondContact OG-CG 3.39Å; S372-K375 PolarHBondContact OG-N 2.9Å; S372-Y376 WeakPolarHBondContact O-CB 3.14Å; S372-Y376 WeakPolarHBondContact O-CD2 3.17Å; S372-Y376 PolarHBondContact O-N 2.99Å; S372-Y376 VanDerWaalsContact O-N 3.07Å
373	S	94.8	Very high	96.7	Very high	10 Å²	10	34.5 Å²	34.5	7%	0.07	17%	0.171	C	C	.	.	H	α-helix	trans	-53.7	-38.9	177	44.9	0	0	0	0	111.9	Y376 S377 L397 A404	S373-Y376 PolarHBondContact O-N 2.9Å; S373-S377 WeakPolarHBondContact O-CB 3.43Å; S373-S377 PolarHBondContact O-N 3.48Å; S373-S377 PolarHBondContact O-OG 3.47Å; S373-L397 WeakPolarHBondContact O-CD1 3.42Å; S373-A404 CarbonylContact C-O 3.22Å; S373-A404 WeakPolarHBondContact CB-O 3.12Å; S373-A404 PolarHBondContact OG-O 2.72Å
374	C	95.2	Very high	96.7	Very high	27 Å²	27	39.9 Å²	39.9	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-45.6	-178.8	-168.9	0	0	0	0	113.8	S372 Y376 S377 A404 C405 A408	S372-C374 PolarHBondContact O-N 3.19Å; C374-Y376 VanDerWaalsContact C-N 3.34Å; C374-S377 WeakPolarHBondContact CA-OG 3.27Å; C374-S377 PolarHBondContact O-OG 3.37Å; C374-A404 WeakPolarHBondContact CA-O 3.25Å; C374-A404 WeakPolarHBondContact CB-O 3.44Å; C374-A404 PolarHBondContact N-O 3.18Å; C374-C405 WeakPolarHBondContact CA-SG 3.34Å; C374-C405 HydrophobicContact CB-CB 3.84Å; C374-C405 WeakPolarHBondContact CB-SG 3.48Å; C374-C405 WeakPolarHBondContact SG-CB 3.26Å; C374-C405 CovalentContact SG-SG 2.05Å; C374-C405 PolarHBondContact SG-SG 3.48Å; C374-A408 HydrophobicContact CB-CB 4.23Å
375	K	95.2	Very high	96.8	Very high	102 Å²	102	40.2 Å²	40.2	44%	0.443	20%	0.198	S	C	.	.	H	α-helix	trans	-65	-43.9	176.4	-70	177.2	-171.9	-178.4	0	110.3	V369 S370 S372 S377 H378 L379	V369-K375 HydrophobicContact CG1-CB 4.48Å; V369-K375 HydrophobicContact CG1-CD 4.12Å; S370-K375 PolarHBondContact OG-NZ 3.26Å; S372-K375 PolarHBondContact O-N 2.98Å; S372-K375 WeakPolarHBondContact OG-CB 3.5Å; S372-K375 VanDerWaalsContact OG-CG 3.28Å; S372-K375 WeakPolarHBondContact OG-CG 3.39Å; S372-K375 PolarHBondContact OG-N 2.9Å; K375-S377 VanDerWaalsContact C-N 3.29Å; K375-S377 PolarHBondContact O-N 3.15Å; K375-H378 PolarHBondContact O-N 3.44Å; K375-L379 WeakPolarHBondContact O-CG 3.45Å; K375-L379 PolarHBondContact O-N 2.9Å
376	Y	96.3	Very high	96.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.1	-22.3	-175.5	-82.5	-112	0	0	0	113	F256 N258 R368 V369 Y371 S372 S373 C374 H378 L379 S382 F385	F256-Y376 HydrophobicContact CB-CE1 4.29Å; F256-Y376 AromaticContact CD1-CD1 3.67Å; F256-Y376 HydrophobicContact CD1-CD1 3.67Å; F256-Y376 AromaticContact CD1-CE1 3.83Å; F256-Y376 HydrophobicContact CD1-CE1 3.83Å; F256-Y376 HydrophobicContact CD2-CD1 4.18Å; F256-Y376 HydrophobicContact CD2-CE1 4.16Å; F256-Y376 AromaticContact CE1-CD1 3.58Å; F256-Y376 HydrophobicContact CE1-CD1 3.58Å; F256-Y376 HydrophobicContact CE1-CE1 4.22Å; F256-Y376 HydrophobicContact CE2-CD1 4.07Å; F256-Y376 HydrophobicContact CE2-CE1 4.5Å; F256-Y376 AromaticContact CG-CD1 4Å; F256-Y376 HydrophobicContact CG-CD1 4Å; F256-Y376 AromaticContact CG-CE1 3.82Å; F256-Y376 HydrophobicContact CG-CE1 3.82Å; F256-Y376 AromaticContact CZ-CD1 3.8Å; F256-Y376 HydrophobicContact CZ-CD1 3.8Å; N258-Y376 PolarHBondContact ND2-O 2.99Å; R368-Y376 PolarHBondContact NH1-OH 2.86Å; V369-Y376 HydrophobicContact CB-CE2 4.12Å; V369-Y376 HydrophobicContact CG1-CE2 4.06Å; V369-Y376 PolarHBondContact O-OH 3.41Å; Y371-Y376 AromaticContact CD2-CD1 3.89Å; Y371-Y376 HydrophobicContact CD2-CD1 3.89Å; Y371-Y376 AromaticContact CD2-CD2 3.67Å; Y371-Y376 HydrophobicContact CD2-CD2 3.67Å; Y371-Y376 AromaticContact CD2-CE1 3.99Å; Y371-Y376 HydrophobicContact CD2-CE1 3.99Å; Y371-Y376 AromaticContact CD2-CE2 3.79Å; Y371-Y376 HydrophobicContact CD2-CE2 3.79Å; Y371-Y376 AromaticContact CD2-CG 3.73Å; Y371-Y376 HydrophobicContact CD2-CG 3.73Å; Y371-Y376 AromaticContact CD2-CZ 3.93Å; Y371-Y376 HydrophobicContact CE2-CD1 4Å; Y371-Y376 HydrophobicContact CE2-CD2 4.17Å; Y371-Y376 HydrophobicContact CE2-CE1 4.5Å; Y371-Y376 AromaticContact CE2-CG 3.82Å; Y371-Y376 HydrophobicContact CE2-CG 3.82Å; Y371-Y376 HydrophobicContact CG-CD2 4.47Å; Y371-Y376 HydrophobicContact CG-CE2 4.43Å; S372-Y376 WeakPolarHBondContact O-CB 3.14Å; S372-Y376 WeakPolarHBondContact O-CD2 3.17Å; S372-Y376 PolarHBondContact O-N 2.99Å; S372-Y376 VanDerWaalsContact O-N 3.07Å; S373-Y376 PolarHBondContact O-N 2.9Å; C374-Y376 VanDerWaalsContact C-N 3.34Å; Y376-H378 PolarHBondContact O-N 3.48Å; Y376-L379 HydrophobicContact CD1-CD1 4.42Å; Y376-L379 HydrophobicContact CD2-CD2 4.11Å; Y376-L379 HydrophobicContact CE2-CD2 4.19Å; Y376-L379 HydrophobicContact CG-CD2 4.3Å; Y376-S382 WeakPolarHBondContact OH-CB 3.12Å; Y376-S382 PolarHBondContact OH-OG 3.47Å; Y376-S382 VanDerWaalsContact OH-OG 3.08Å; Y376-F385 HydrophobicContact CE1-CE1 4.36Å; Y376-F385 AromaticContact CE1-CZ 3.68Å; Y376-F385 HydrophobicContact CE1-CZ 3.68Å; Y376-F385 AromaticContact CZ-CZ 3.91Å; Y376-F385 VanDerWaalsContact OH-CZ 3.28Å; Y376-F385 WeakPolarHBondContact OH-CZ 3.43Å
377	S	95.5	Very high	96.9	Very high	23 Å²	23	44.9 Å²	44.9	16%	0.161	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.4	169.5	57.2	0	0	0	0	114.4	Y261 S373 C374 K375 A404	Y261-S377 VanDerWaalsContact CD2-O 3.31Å; Y261-S377 WeakPolarHBondContact CD2-O 3.08Å; S373-S377 WeakPolarHBondContact O-CB 3.43Å; S373-S377 PolarHBondContact O-N 3.48Å; S373-S377 PolarHBondContact O-OG 3.47Å; C374-S377 WeakPolarHBondContact CA-OG 3.27Å; C374-S377 PolarHBondContact O-OG 3.37Å; K375-S377 VanDerWaalsContact C-N 3.29Å; K375-S377 PolarHBondContact O-N 3.15Å; S377-A404 WeakPolarHBondContact OG-CB 3.14Å
378	H	95.1	Very high	96.9	Very high	109 Å²	109	44.5 Å²	44.5	51%	0.505	23%	0.234	S	C	.	.	S	Bend	trans	-129.4	10	-173.3	-64.9	-18.1	0	0	0	114.5	K375 Y376	K375-H378 PolarHBondContact O-N 3.44Å; Y376-H378 PolarHBondContact O-N 3.48Å
379	L	97.3	Very high	96.9	Very high	5 Å²	5	44 Å²	44	3%	0.026	23%	0.234	C	C	.	.			trans	-116.7	165	170	61.1	79.3	0	0	0	110	F256 N258 V369 K375 Y376	F256-L379 HydrophobicContact CD1-CD1 4.25Å; F256-L379 HydrophobicContact CE1-CD1 4.43Å; N258-L379 WeakPolarHBondContact CB-O 3.24Å; V369-L379 HydrophobicContact CB-CD2 4.15Å; V369-L379 HydrophobicContact CG1-CD2 4.04Å; V369-L379 HydrophobicContact CG2-CD2 4.14Å; K375-L379 WeakPolarHBondContact O-CG 3.45Å; K375-L379 PolarHBondContact O-N 2.9Å; Y376-L379 HydrophobicContact CD1-CD1 4.42Å; Y376-L379 HydrophobicContact CD2-CD2 4.11Å; Y376-L379 HydrophobicContact CE2-CD2 4.19Å; Y376-L379 HydrophobicContact CG-CD2 4.3Å
380	I	98.4	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-98.1	-51.6	169.8	-66.2	170.9	0	0	0	109.6	V257 N258 Y261 L262 L266 V363 F364	V257-I380 CarbonylContact C-O 3.49Å; V257-I380 VanDerWaalsContact CA-O 3.23Å; V257-I380 WeakPolarHBondContact CA-O 3.36Å; V257-I380 HydrophobicContact CG1-CG2 4.46Å; N258-I380 PolarHBondContact N-O 2.6Å; Y261-I380 HydrophobicContact CD1-CD1 4.26Å; Y261-I380 HydrophobicContact CD1-CG1 3.6Å; Y261-I380 HydrophobicContact CE1-CG1 4.15Å; L262-I380 HydrophobicContact CB-CD1 4.44Å; L262-I380 HydrophobicContact CB-CG1 4.32Å; L262-I380 HydrophobicContact CB-CG2 4.09Å; L262-I380 HydrophobicContact CD1-CD1 4.21Å; L262-I380 HydrophobicContact CD1-CG2 4.49Å; L266-I380 HydrophobicContact CB-CD1 4.02Å; L266-I380 HydrophobicContact CD2-CD1 3.58Å; L266-I380 HydrophobicContact CG-CD1 4.36Å; V363-I380 HydrophobicContact CB-CD1 4.23Å; V363-I380 HydrophobicContact CB-CG1 4.21Å; V363-I380 HydrophobicContact CG2-CD1 4.05Å; V363-I380 WeakPolarHBondContact O-CA 3.4Å; V363-I380 WeakPolarHBondContact O-CB 3.4Å; V363-I380 PolarHBondContact O-N 3.42Å; F364-I380 HydrophobicContact CD1-CB 4.47Å; F364-I380 HydrophobicContact CD1-CG2 4.23Å; F364-I380 HydrophobicContact CD2-CD1 4.45Å; F364-I380 HydrophobicContact CE1-CB 4.3Å; F364-I380 HydrophobicContact CE1-CD1 4.43Å; F364-I380 HydrophobicContact CE1-CG2 3.74Å; F364-I380 HydrophobicContact CE2-CD1 3.78Å; F364-I380 HydrophobicContact CZ-CB 4.47Å; F364-I380 HydrophobicContact CZ-CD1 3.77Å; F364-I380 HydrophobicContact CZ-CG2 4.1Å
381	T	98.5	Very high	97.1	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.2	-176.6	61.5	0	0	0	0	114.3	M249 M255 F256 V257 V363 F364 N365	M249-T381 HydrophobicContact CE-CG2 3.75Å; M255-T381 HydrophobicContact CE-CG2 4.12Å; F256-T381 VanDerWaalsContact O-CA 3.32Å; F256-T381 WeakPolarHBondContact O-CA 3.48Å; V257-T381 HydrophobicContact CG2-CG2 4.42Å; V363-T381 PolarHBondContact O-N 3.32Å; F364-T381 WeakPolarHBondContact CA-OG1 3.41Å; F364-T381 HydrophobicContact CD1-CG2 4.02Å; F364-T381 HydrophobicContact CE1-CG2 4.38Å; N365-T381 VanDerWaalsContact CB-O 3.28Å; N365-T381 WeakPolarHBondContact CB-O 3.37Å; N365-T381 PolarHBondContact N-O 3.49Å; N365-T381 PolarHBondContact N-OG1 3.12Å; N365-T381 PolarHBondContact ND2-O 3.36Å; N365-T381 PolarHBondContact O-OG1 2.91Å
382	S	98.5	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.7	162.5	177.3	0	0	0	0	109.1	F256 W367 V369 Y376 F385	F256-S382 PolarHBondContact N-O 3.03Å; F256-S382 PolarHBondContact O-N 3.34Å; F256-S382 VanDerWaalsContact O-N 3.1Å; W367-S382 PolarHBondContact O-OG 3.2Å; V369-S382 PolarHBondContact N-OG 3.23Å; Y376-S382 WeakPolarHBondContact OH-CB 3.12Å; Y376-S382 PolarHBondContact OH-OG 3.47Å; Y376-S382 VanDerWaalsContact OH-OG 3.08Å; S382-F385 WeakPolarHBondContact O-CE2 3.49Å; S382-F385 WeakPolarHBondContact OG-CE2 3.44Å
383	H	98.1	Very high	97.4	Very high	36 Å²	36	46 Å²	46	17%	0.167	23%	0.229	C	C	.	.			trans	-100.8	167.6	-171.1	-176.8	-147.7	0	0	0	113.3	D254 M255 T315 H366 W367 R368	D254-H383 IonicContact OD1-CD2 3.52Å; D254-H383 IonicContact OD1-NE2 2.94Å; D254-H383 IonicContact OD2-CD2 3.24Å; D254-H383 PolarHBondContact OD2-CD2 2.75Å; D254-H383 IonicContact OD2-NE2 3.84Å; D254-H383 PolarHBondContact OD2-NE2 3.1Å; M255-H383 HydrophobicContact CE-CB 4.09Å; M255-H383 VanDerWaalsContact SD-CA 3.51Å; M255-H383 HydrophobicContact SD-CB 3.58Å; M255-H383 VanDerWaalsContact SD-CB 3.58Å; M255-H383 PolarHBondContact SD-CD2 3.43Å; T315-H383 HydrophobicContact CG2-CB 4.42Å; H366-H383 PolarHBondContact O-ND1 3.4Å; W367-H383 PolarHBondContact O-N 3.45Å; W367-H383 VanDerWaalsContact O-N 3.12Å; R368-H383 WeakPolarHBondContact CA-O 3.43Å; R368-H383 WeakPolarHBondContact CD-O 3.39Å
384	Q	97.4	Very high	97.5	Very high	119 Å²	119	46 Å²	46	56%	0.556	23%	0.228	S	C	*	.			trans	66.1	60.7	173.7	-58.2	177.9	-27.4	0	0	114.9	D254 R368	D254-Q384 PolarHBondContact O-N 2.94Å; R368-Q384 WeakPolarHBondContact CD-O 3.43Å; R368-Q384 PolarHBondContact NE-O 2.72Å
385	F	98.3	Very high	97.6	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.031	24%	0.238	C	C	.	.			trans	-110.1	137.9	175.6	-75	-107.4	0	0	0	112.8	D254 F256 Y376 S382 E389 L390 Y393	D254-F385 PolarHBondContact O-N 3.35Å; F256-F385 HydrophobicContact CB-CD1 4.39Å; F256-F385 HydrophobicContact CB-CD2 3.93Å; F256-F385 HydrophobicContact CB-CE1 3.96Å; F256-F385 HydrophobicContact CB-CE2 3.5Å; F256-F385 HydrophobicContact CB-CG 4.35Å; F256-F385 HydrophobicContact CB-CZ 3.5Å; F256-F385 VanDerWaalsContact CB-CZ 3.5Å; F256-F385 HydrophobicContact CD2-CE1 4.27Å; F256-F385 HydrophobicContact CD2-CZ 4.42Å; F256-F385 HydrophobicContact CG-CE1 4.46Å; F256-F385 HydrophobicContact CG-CZ 4.18Å; Y376-F385 HydrophobicContact CE1-CE1 4.36Å; Y376-F385 AromaticContact CE1-CZ 3.68Å; Y376-F385 HydrophobicContact CE1-CZ 3.68Å; Y376-F385 AromaticContact CZ-CZ 3.91Å; Y376-F385 VanDerWaalsContact OH-CZ 3.28Å; Y376-F385 WeakPolarHBondContact OH-CZ 3.43Å; S382-F385 WeakPolarHBondContact O-CE2 3.49Å; S382-F385 WeakPolarHBondContact OG-CE2 3.44Å; F385-E389 HydrophobicContact CD1-CB 4Å; F385-L390 HydrophobicContact CB-CD2 3.56Å; F385-L390 HydrophobicContact CB-CG 3.74Å; F385-L390 HydrophobicContact CD1-CD2 3.72Å; F385-L390 HydrophobicContact CD1-CG 4.35Å; F385-L390 HydrophobicContact CD2-CD2 4.4Å; F385-L390 HydrophobicContact CE1-CD2 4.48Å; F385-L390 HydrophobicContact CG-CD2 3.65Å; F385-L390 HydrophobicContact CG-CG 4.3Å; F385-Y393 AromaticContact CD1-CD2 3.96Å; F385-Y393 HydrophobicContact CD1-CD2 3.96Å; F385-Y393 HydrophobicContact CD1-CE2 4.43Å; F385-Y393 AromaticContact CE1-CD2 3.49Å; F385-Y393 HydrophobicContact CE1-CD2 3.49Å; F385-Y393 VanDerWaalsContact CE1-CD2 3.49Å; F385-Y393 HydrophobicContact CE1-CE2 4.07Å; F385-Y393 HydrophobicContact CE1-CG 4.42Å
386	Q	98.4	Very high	97.6	Very high	125 Å²	125	46.7 Å²	46.7	58%	0.584	23%	0.232	S	C	*	.			trans	-77.6	153.5	161.4	-63.5	-60.7	-34	0	0	111.2	S388 E389 L390	Q386-S388 VanDerWaalsContact C-N 3.28Å; Q386-S388 PolarHBondContact O-N 3.4Å; Q386-E389 HydrophobicContact CB-CG 4.3Å; Q386-E389 PolarHBondContact N-OE2 3.02Å; Q386-E389 VanDerWaalsContact N-OE2 3.09Å; Q386-E389 WeakPolarHBondContact O-CA 3.48Å; Q386-E389 WeakPolarHBondContact O-CB 3.31Å; Q386-E389 PolarHBondContact O-N 3.19Å; Q386-L390 PolarHBondContact O-N 3.05Å
387	P	98.7	Very high	97.6	Very high	30 Å²	30	47 Å²	47	20%	0.195	23%	0.234	C	C	.	.	H	α-helix	trans	-55	-39.4	179.4	-28.2	35.7	0	0	0	114.1	E165 A166 A169 L390 I391	E165-P387 HydrophobicContact CB-CB 4.17Å; E165-P387 HydrophobicContact CB-CG 4.03Å; A166-P387 HydrophobicContact CB-CG 4.09Å; A169-P387 HydrophobicContact CB-CB 3.78Å; P387-L390 PolarHBondContact O-N 3.13Å; P387-I391 WeakPolarHBondContact O-CG1 3.46Å; P387-I391 PolarHBondContact O-N 3.4Å
388	S	98.4	Very high	97.6	Very high	88 Å²	88	48.5 Å²	48.5	62%	0.615	24%	0.238	S	C	*	.	H	α-helix	trans	-67.7	-34.6	177.2	56.6	0	0	0	0	112.8	Q386 K392	Q386-S388 VanDerWaalsContact C-N 3.28Å; Q386-S388 PolarHBondContact O-N 3.4Å; S388-K392 WeakPolarHBondContact O-CB 2.96Å; S388-K392 PolarHBondContact O-N 3.44Å
389	E	98.2	Very high	97.5	Very high	52 Å²	52	50.7 Å²	50.7	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-67.3	-42.4	173.6	-73.4	-173.8	100.3	0	0	111.5	R368 F385 Q386 I391 K392 Y393	R368-E389 IonicContact CZ-OE1 3.99Å; R368-E389 IonicContact NH2-OE1 2.91Å; R368-E389 PolarHBondContact NH2-OE1 3.46Å; F385-E389 HydrophobicContact CD1-CB 4Å; Q386-E389 HydrophobicContact CB-CG 4.3Å; Q386-E389 PolarHBondContact N-OE2 3.02Å; Q386-E389 VanDerWaalsContact N-OE2 3.09Å; Q386-E389 WeakPolarHBondContact O-CA 3.48Å; Q386-E389 WeakPolarHBondContact O-CB 3.31Å; Q386-E389 PolarHBondContact O-N 3.19Å; E389-I391 VanDerWaalsContact C-N 3.34Å; E389-I391 PolarHBondContact O-N 2.91Å; E389-K392 PolarHBondContact O-N 3.43Å; E389-Y393 HydrophobicContact CB-CD2 3.92Å; E389-Y393 HydrophobicContact CB-CE2 3.75Å; E389-Y393 HydrophobicContact CG-CE2 3.99Å; E389-Y393 WeakPolarHBondContact O-CB 3.43Å; E389-Y393 WeakPolarHBondContact O-CD2 3.42Å; E389-Y393 PolarHBondContact O-N 2.96Å; E389-Y393 WeakPolarHBondContact OE1-CE2 3.27Å
390	L	98.4	Very high	97.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-54.8	-51.8	175.4	-71.8	178.6	0	0	0	110.6	I170 M255 F256 F385 Q386 P387 K392 W394	I170-L390 HydrophobicContact CG1-CD1 4.19Å; M255-L390 WeakPolarHBondContact O-CD2 3.43Å; F256-L390 HydrophobicContact CB-CD2 4Å; F256-L390 HydrophobicContact CD2-CD2 4.27Å; F385-L390 HydrophobicContact CB-CD2 3.56Å; F385-L390 HydrophobicContact CB-CG 3.74Å; F385-L390 HydrophobicContact CD1-CD2 3.72Å; F385-L390 HydrophobicContact CD1-CG 4.35Å; F385-L390 HydrophobicContact CD2-CD2 4.4Å; F385-L390 HydrophobicContact CE1-CD2 4.48Å; F385-L390 HydrophobicContact CG-CD2 3.65Å; F385-L390 HydrophobicContact CG-CG 4.3Å; Q386-L390 PolarHBondContact O-N 3.05Å; P387-L390 PolarHBondContact O-N 3.13Å; L390-K392 PolarHBondContact O-N 3.28Å; L390-W394 WeakPolarHBondContact O-CB 3.4Å; L390-W394 PolarHBondContact O-N 3.13Å
391	I	98.5	Very high	96.5	Very high	53 Å²	53	57.5 Å²	57.5	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-58.9	-49.4	178.9	-63.7	168.5	0	0	0	110.8	A169 T173 P387 E389 N395	A169-I391 HydrophobicContact CB-CD1 3.95Å; A169-I391 HydrophobicContact CB-CG1 3.89Å; T173-I391 HydrophobicContact CG2-CB 4.42Å; T173-I391 HydrophobicContact CG2-CG1 4.05Å; P387-I391 WeakPolarHBondContact O-CG1 3.46Å; P387-I391 PolarHBondContact O-N 3.4Å; E389-I391 VanDerWaalsContact C-N 3.34Å; E389-I391 PolarHBondContact O-N 2.91Å; I391-N395 VanDerWaalsContact O-CB 3.32Å; I391-N395 WeakPolarHBondContact O-CB 3.4Å; I391-N395 PolarHBondContact O-N 3.01Å; I391-N395 PolarHBondContact O-ND2 3.2Å
392	K	98.1	Very high	96	Very high	139 Å²	139	66 Å²	66	60%	0.604	32%	0.32	S	S	*	.	H	α-helix	trans	-59	-53.5	-179.1	178.2	-176.8	175.9	-177.2	0	112.1	S388 E389 L390 H396	S388-K392 WeakPolarHBondContact O-CB 2.96Å; S388-K392 PolarHBondContact O-N 3.44Å; E389-K392 PolarHBondContact O-N 3.43Å; L390-K392 PolarHBondContact O-N 3.28Å; K392-H396 WeakPolarHBondContact O-CB 3.13Å; K392-H396 PolarHBondContact O-N 2.75Å
393	Y	97.5	Very high	95.5	Very high	39 Å²	39	71.5 Å²	71.5	15%	0.153	35%	0.349	C	S	.	.	H	α-helix	trans	-73.8	-32.9	-173.8	-67.6	-45	0	0	0	112.7	Y371 F385 E389 L397	Y371-Y393 AromaticContact CD1-CD1 3.42Å; Y371-Y393 HydrophobicContact CD1-CD1 3.42Å; Y371-Y393 VanDerWaalsContact CD1-CD1 3.42Å; Y371-Y393 AromaticContact CD1-CE1 3.57Å; Y371-Y393 HydrophobicContact CD1-CE1 3.57Å; Y371-Y393 HydrophobicContact CD1-CG 4.39Å; Y371-Y393 AromaticContact CD2-CD1 3.52Å; Y371-Y393 HydrophobicContact CD2-CD1 3.52Å; Y371-Y393 HydrophobicContact CD2-CD2 4.41Å; Y371-Y393 HydrophobicContact CD2-CE1 4.15Å; Y371-Y393 AromaticContact CD2-CG 3.66Å; Y371-Y393 HydrophobicContact CD2-CG 3.66Å; Y371-Y393 AromaticContact CE1-CD1 3.57Å; Y371-Y393 HydrophobicContact CE1-CD1 3.57Å; Y371-Y393 HydrophobicContact CE1-CE1 4.13Å; Y371-Y393 HydrophobicContact CE1-CG 4.49Å; Y371-Y393 AromaticContact CE2-CD1 3.67Å; Y371-Y393 HydrophobicContact CE2-CD1 3.67Å; Y371-Y393 AromaticContact CE2-CG 3.78Å; Y371-Y393 HydrophobicContact CE2-CG 3.78Å; Y371-Y393 AromaticContact CG-CD1 3.38Å; Y371-Y393 HydrophobicContact CG-CD1 3.38Å; Y371-Y393 AromaticContact CG-CE1 3.57Å; Y371-Y393 HydrophobicContact CG-CE1 3.57Å; Y371-Y393 AromaticContact CG-CG 3.97Å; Y371-Y393 HydrophobicContact CG-CG 3.97Å; Y371-Y393 AromaticContact CZ-CD1 3.67Å; Y371-Y393 PolarHBondContact OH-O 2.92Å; F385-Y393 AromaticContact CD1-CD2 3.96Å; F385-Y393 HydrophobicContact CD1-CD2 3.96Å; F385-Y393 HydrophobicContact CD1-CE2 4.43Å; F385-Y393 AromaticContact CE1-CD2 3.49Å; F385-Y393 HydrophobicContact CE1-CD2 3.49Å; F385-Y393 VanDerWaalsContact CE1-CD2 3.49Å; F385-Y393 HydrophobicContact CE1-CE2 4.07Å; F385-Y393 HydrophobicContact CE1-CG 4.42Å; E389-Y393 HydrophobicContact CB-CD2 3.92Å; E389-Y393 HydrophobicContact CB-CE2 3.75Å; E389-Y393 HydrophobicContact CG-CE2 3.99Å; E389-Y393 WeakPolarHBondContact O-CB 3.43Å; E389-Y393 WeakPolarHBondContact O-CD2 3.42Å; E389-Y393 PolarHBondContact O-N 2.96Å; E389-Y393 WeakPolarHBondContact OE1-CE2 3.27Å; Y393-L397 WeakPolarHBondContact O-CB 3.42Å; Y393-L397 PolarHBondContact O-N 2.93Å
394	W	97.8	Very high	95.1	Very high	11 Å²	11	70.1 Å²	70.1	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-53.6	172.1	-174.6	-101.5	0	0	0	111.3	T173 W174 L179 F256 V257 L390 H396 L397 Q398	T173-W394 VanDerWaalsContact C-CE2 3.46Å; T173-W394 VanDerWaalsContact CB-CG 3.46Å; T173-W394 HydrophobicContact CG2-CB 3.62Å; T173-W394 HydrophobicContact CG2-CG 3.72Å; W174-W394 HydrophobicContact CB-CE3 3.89Å; W174-W394 HydrophobicContact CB-CH2 3.81Å; W174-W394 HydrophobicContact CB-CZ2 4.38Å; W174-W394 HydrophobicContact CB-CZ3 3.53Å; L179-W394 HydrophobicContact CD1-CH2 4.33Å; L179-W394 HydrophobicContact CD1-CZ2 3.57Å; L179-W394 HydrophobicContact CD2-CH2 3.61Å; L179-W394 HydrophobicContact CD2-CZ2 3.54Å; L179-W394 HydrophobicContact CG-CZ2 4.19Å; F256-W394 HydrophobicContact CE1-CZ3 4.49Å; F256-W394 HydrophobicContact CE2-CB 4.5Å; F256-W394 AromaticContact CE2-CE3 3.67Å; F256-W394 HydrophobicContact CE2-CE3 3.67Å; F256-W394 HydrophobicContact CE2-CZ3 4.35Å; F256-W394 AromaticContact CZ-CE3 3.62Å; F256-W394 HydrophobicContact CZ-CE3 3.62Å; F256-W394 AromaticContact CZ-CZ3 3.88Å; F256-W394 HydrophobicContact CZ-CZ3 3.88Å; V257-W394 VanDerWaalsContact O-CZ3 3.3Å; V257-W394 WeakPolarHBondContact O-CZ3 3.4Å; L390-W394 WeakPolarHBondContact O-CB 3.4Å; L390-W394 PolarHBondContact O-N 3.13Å; W394-H396 VanDerWaalsContact C-N 3.3Å; W394-H396 PolarHBondContact O-N 2.99Å; W394-L397 WeakPolarHBondContact O-CB 3.45Å; W394-L397 PolarHBondContact O-N 2.88Å; W394-Q398 HydrophobicContact CD2-CG 4.37Å; W394-Q398 HydrophobicContact CG-CG 4.44Å; W394-Q398 HydrophobicContact CZ2-CG 4.37Å; W394-Q398 VanDerWaalsContact CZ2-NE2 3.3Å; W394-Q398 WeakPolarHBondContact O-CG 3.06Å; W394-Q398 PolarHBondContact O-N 2.97Å
395	N	96.9	Very high	94.8	Very high	74 Å²	74	66.7 Å²	66.7	40%	0.396	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-42.8	-180	-71	-15.6	0	0	0	111.5	I391 L397 Q398 Q399	I391-N395 VanDerWaalsContact O-CB 3.32Å; I391-N395 WeakPolarHBondContact O-CB 3.4Å; I391-N395 PolarHBondContact O-N 3.01Å; I391-N395 PolarHBondContact O-ND2 3.2Å; N395-L397 PolarHBondContact O-N 3.4Å; N395-Q398 PolarHBondContact O-N 2.99Å; N395-Q399 WeakPolarHBondContact O-CB 3.49Å; N395-Q399 VanDerWaalsContact O-CG 3.26Å; N395-Q399 WeakPolarHBondContact O-CG 3.21Å; N395-Q399 PolarHBondContact O-N 3.26Å
396	H	96	Very high	94.1	Very high	70 Å²	70	68.5 Å²	68.5	32%	0.324	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-37.9	175.8	-178.2	-89.7	0	0	0	112.6	Y371 K392 W394 N400	Y371-H396 AromaticContact CE1-ND1 3.54Å; Y371-H396 AromaticContact CZ-ND1 3.62Å; Y371-H396 WeakPolarHBondContact OH-CB 3.43Å; Y371-H396 PolarHBondContact OH-ND1 3.12Å; K392-H396 WeakPolarHBondContact O-CB 3.13Å; K392-H396 PolarHBondContact O-N 2.75Å; W394-H396 VanDerWaalsContact C-N 3.3Å; W394-H396 PolarHBondContact O-N 2.99Å; H396-N400 PolarHBondContact CE1-ND2 2.99Å; H396-N400 VanDerWaalsContact CE1-ND2 3.29Å; H396-N400 PolarHBondContact NE2-ND2 2.86Å; H396-N400 WeakPolarHBondContact O-CB 3.07Å; H396-N400 PolarHBondContact O-N 3.42Å; H396-N400 PolarHBondContact O-ND2 3.01Å
397	L	96	Very high	92.9	Very high	7 Å²	7	66.4 Å²	66.4	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-46.2	174.8	178.7	64.9	0	0	0	111.1	F256 Y371 S373 Y393 W394 N395 Q399 N400 K401	F256-L397 HydrophobicContact CE1-CD2 4.42Å; F256-L397 HydrophobicContact CZ-CD2 3.74Å; Y371-L397 PolarHBondContact OH-N 2.78Å; S373-L397 WeakPolarHBondContact O-CD1 3.42Å; Y393-L397 WeakPolarHBondContact O-CB 3.42Å; Y393-L397 PolarHBondContact O-N 2.93Å; W394-L397 WeakPolarHBondContact O-CB 3.45Å; W394-L397 PolarHBondContact O-N 2.88Å; N395-L397 PolarHBondContact O-N 3.4Å; L397-Q399 PolarHBondContact O-N 2.6Å; L397-N400 CarbonylContact O-C 3.57Å; L397-N400 PolarHBondContact O-N 3.2Å; L397-N400 VanDerWaalsContact O-N 3.16Å; L397-K401 PolarHBondContact O-N 2.59Å; L397-K401 VanDerWaalsContact O-N 3.09Å
398	Q	94.8	Very high	91.6	Very high	53 Å²	53	66.6 Å²	66.6	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-40.2	-179.2	-68	-59.7	-28.6	0	0	111.9	E260 W394 N395 N400 K401	E260-Q398 PolarHBondContact OE2-NE2 3.14Å; E260-Q398 PolarHBondContact OE2-OE1 3.43Å; W394-Q398 HydrophobicContact CD2-CG 4.37Å; W394-Q398 HydrophobicContact CG-CG 4.44Å; W394-Q398 HydrophobicContact CZ2-CG 4.37Å; W394-Q398 VanDerWaalsContact CZ2-NE2 3.3Å; W394-Q398 WeakPolarHBondContact O-CG 3.06Å; W394-Q398 PolarHBondContact O-N 2.97Å; N395-Q398 PolarHBondContact O-N 2.99Å; Q398-N400 VanDerWaalsContact C-N 3.29Å; Q398-N400 PolarHBondContact O-N 2.97Å; Q398-K401 WeakPolarHBondContact O-CB 3.24Å; Q398-K401 PolarHBondContact O-N 2.89Å
399	Q	93.1	Very high	90.2	Very high	156 Å²	156	65.4 Å²	65.4	73%	0.729	34%	0.341	S	S	*	.	H	α-helix	trans	-63.4	-31.9	174	-73.6	170.9	-2.3	0	0	113.4	N395 L397	N395-Q399 WeakPolarHBondContact O-CB 3.49Å; N395-Q399 VanDerWaalsContact O-CG 3.26Å; N395-Q399 WeakPolarHBondContact O-CG 3.21Å; N395-Q399 PolarHBondContact O-N 3.26Å; L397-Q399 PolarHBondContact O-N 2.6Å
400	N	90.5	Very high	88.7	Confident	45 Å²	45	70 Å²	70	24%	0.241	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	11.6	-177.1	-71.1	-74.7	0	0	0	113.4	H396 L397 Q398 H402 N403 A404	H396-N400 PolarHBondContact CE1-ND2 2.99Å; H396-N400 VanDerWaalsContact CE1-ND2 3.29Å; H396-N400 PolarHBondContact NE2-ND2 2.86Å; H396-N400 WeakPolarHBondContact O-CB 3.07Å; H396-N400 PolarHBondContact O-N 3.42Å; H396-N400 PolarHBondContact O-ND2 3.01Å; L397-N400 CarbonylContact O-C 3.57Å; L397-N400 PolarHBondContact O-N 3.2Å; L397-N400 VanDerWaalsContact O-N 3.16Å; Q398-N400 VanDerWaalsContact C-N 3.29Å; Q398-N400 PolarHBondContact O-N 2.97Å; N400-H402 VanDerWaalsContact C-N 3.3Å; N400-H402 PolarHBondContact O-N 3.45Å; N400-H402 VanDerWaalsContact O-N 3.13Å; N400-N403 CarbonylContact O-C 3.6Å; N400-N403 PolarHBondContact O-N 3.08Å; N400-A404 VanDerWaalsContact O-CA 3.26Å; N400-A404 WeakPolarHBondContact O-CA 3.29Å; N400-A404 PolarHBondContact O-N 3.11Å
401	K	85.6	Confident	87.1	Confident	102 Å²	102	76.1 Å²	76.1	44%	0.443	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-52	-42.3	-168.9	-170.6	171.2	-179.1	169.7	0	114.4	E260 L397 Q398 N403	E260-K401 WeakPolarHBondContact OE1-CE 3.01Å; E260-K401 IonicContact OE1-NZ 2.56Å; E260-K401 PolarHBondContact OE1-NZ 3.31Å; E260-K401 WeakPolarHBondContact OE2-CE 3.28Å; E260-K401 IonicContact OE2-NZ 2.83Å; E260-K401 PolarHBondContact OE2-NZ 3.34Å; L397-K401 PolarHBondContact O-N 2.59Å; L397-K401 VanDerWaalsContact O-N 3.09Å; Q398-K401 WeakPolarHBondContact O-CB 3.24Å; Q398-K401 PolarHBondContact O-N 2.89Å; K401-N403 VanDerWaalsContact C-N 3.35Å
402	H	86.2	Confident	85.7	Confident	180 Å²	180	81.4 Å²	81.4	83%	0.833	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-77.4	-17.4	179.4	-61.4	-68.8	0	0	0	114.2	N400	N400-H402 VanDerWaalsContact C-N 3.3Å; N400-H402 PolarHBondContact O-N 3.45Å; N400-H402 VanDerWaalsContact O-N 3.13Å
403	N	88.8	Confident	84.3	Confident	115 Å²	115	77.6 Å²	77.6	62%	0.615	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-134.5	31	-173.3	-78.7	-34.9	0	0	0	112.2	N400 K401 C405 A406	N400-N403 CarbonylContact O-C 3.6Å; N400-N403 PolarHBondContact O-N 3.08Å; K401-N403 VanDerWaalsContact C-N 3.35Å; N403-C405 PolarHBondContact O-N 3.37Å; N403-A406 HydrophobicContact CB-CB 4.07Å; N403-A406 VanDerWaalsContact O-CB 3.28Å; N403-A406 WeakPolarHBondContact O-CB 3.35Å; N403-A406 PolarHBondContact O-N 2.82Å
404	A	89.5	Confident	82.8	Confident	8 Å²	8	77.2 Å²	77.2	7%	0.066	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.6	-168.9	0	0	0	0	0	113.1	S373 C374 S377 N400	S373-A404 CarbonylContact C-O 3.22Å; S373-A404 WeakPolarHBondContact CB-O 3.12Å; S373-A404 PolarHBondContact OG-O 2.72Å; C374-A404 WeakPolarHBondContact CA-O 3.25Å; C374-A404 WeakPolarHBondContact CB-O 3.44Å; C374-A404 PolarHBondContact N-O 3.18Å; S377-A404 WeakPolarHBondContact OG-CB 3.14Å; N400-A404 VanDerWaalsContact O-CA 3.26Å; N400-A404 WeakPolarHBondContact O-CA 3.29Å; N400-A404 PolarHBondContact O-N 3.11Å
405	C	90.6	Very high	81.3	Confident	47 Å²	47	85.8 Å²	85.8	32%	0.318	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.9	179.3	-61.5	0	0	0	0	115.3	C374 N403 N407 A408 A409	C374-C405 WeakPolarHBondContact CA-SG 3.34Å; C374-C405 HydrophobicContact CB-CB 3.84Å; C374-C405 WeakPolarHBondContact CB-SG 3.48Å; C374-C405 WeakPolarHBondContact SG-CB 3.26Å; C374-C405 CovalentContact SG-SG 2.05Å; C374-C405 PolarHBondContact SG-SG 3.48Å; N403-C405 PolarHBondContact O-N 3.37Å; C405-N407 VanDerWaalsContact C-N 3.35Å; C405-N407 PolarHBondContact O-N 2.7Å; C405-A408 PolarHBondContact O-N 3.23Å; C405-A408 VanDerWaalsContact O-N 3.16Å; C405-A409 PolarHBondContact O-N 3.48Å
406	A	83.4	Confident	79.4	Confident	44 Å²	44	90.2 Å²	90.2	36%	0.364	46%	0.457	S	S	.	.	H	α-helix	trans	-60	-41.2	-177	0	0	0	0	0	113	N403 A409 K410	N403-A406 HydrophobicContact CB-CB 4.07Å; N403-A406 VanDerWaalsContact O-CB 3.28Å; N403-A406 WeakPolarHBondContact O-CB 3.35Å; N403-A406 PolarHBondContact O-N 2.82Å; A406-A409 PolarHBondContact O-N 3Å; A406-K410 PolarHBondContact O-N 2.59Å
407	N	73.1	Confident	77.4	Confident	82 Å²	82	96.5 Å²	96.5	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-72.8	-32.8	177.3	-69.2	-23.4	0	0	0	112.7	C405 A409 K410 E411	C405-N407 VanDerWaalsContact C-N 3.35Å; C405-N407 PolarHBondContact O-N 2.7Å; N407-A409 VanDerWaalsContact C-N 3.27Å; N407-A409 PolarHBondContact O-N 3.39Å; N407-K410 WeakPolarHBondContact O-CB 3.31Å; N407-K410 PolarHBondContact O-N 3.33Å; N407-K410 VanDerWaalsContact O-N 3.12Å; N407-E411 PolarHBondContact O-N 2.66Å
408	A	72.7	Confident	75.5	Confident	33 Å²	33	102.2 Å²	102.2	27%	0.273	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-33.5	176.7	0	0	0	0	0	112	C374 C405 K412	C374-A408 HydrophobicContact CB-CB 4.23Å; C405-A408 PolarHBondContact O-N 3.23Å; C405-A408 VanDerWaalsContact O-N 3.16Å; A408-K412 WeakPolarHBondContact O-CG 3.48Å; A408-K412 PolarHBondContact O-N 2.99Å; A408-K412 VanDerWaalsContact O-N 3.14Å
409	A	67.6	Low	73.6	Confident	63 Å²	63	109.7 Å²	109.7	52%	0.521	53%	0.53	S	S	.	.	H	α-helix	trans	-65.8	-42.1	172.4	0	0	0	0	0	111.9	C405 A406 N407 K412 A413	C405-A409 PolarHBondContact O-N 3.48Å; A406-A409 PolarHBondContact O-N 3Å; N407-A409 VanDerWaalsContact C-N 3.27Å; N407-A409 PolarHBondContact O-N 3.39Å; A409-K412 PolarHBondContact O-N 3.15Å; A409-A413 WeakPolarHBondContact O-CB 3.49Å; A409-A413 PolarHBondContact O-N 3.08Å
410	K	67.6	Low	71.9	Confident	150 Å²	150	110.3 Å²	110.3	65%	0.652	53%	0.53	S	S	*	.	H	α-helix	trans	-64.1	-42.8	176.8	-68.4	-179.3	179.9	177.2	0	112.4	A406 N407 A413 G414	A406-K410 PolarHBondContact O-N 2.59Å; N407-K410 WeakPolarHBondContact O-CB 3.31Å; N407-K410 PolarHBondContact O-N 3.33Å; N407-K410 VanDerWaalsContact O-N 3.12Å; K410-A413 PolarHBondContact O-N 3Å; K410-G414 PolarHBondContact O-N 2.6Å
411	E	64.9	Low	70.1	Confident	128 Å²	128	115 Å²	115	60%	0.598	55%	0.554	S	S	*	*	H	α-helix	trans	-64	-41.9	176.9	-73.3	178.8	-174.3	0	0	112.5	N407 G414 R415	N407-E411 PolarHBondContact O-N 2.66Å; E411-G414 PolarHBondContact O-N 2.86Å; E411-R415 PolarHBondContact O-N 3.48Å
412	K	68.1	Low	68.3	Low	163 Å²	163	120.7 Å²	120.7	71%	0.709	58%	0.582	S	S	*	*	H	α-helix	trans	-64	-42.1	174.5	-75.2	-176.8	-178.1	-179	0	111.8	A408 A409 R415 Y416	A408-K412 WeakPolarHBondContact O-CG 3.48Å; A408-K412 PolarHBondContact O-N 2.99Å; A408-K412 VanDerWaalsContact O-N 3.14Å; A409-K412 PolarHBondContact O-N 3.15Å; K412-R415 PolarHBondContact O-N 2.95Å; K412-Y416 PolarHBondContact O-N 2.65Å; K412-Y416 VanDerWaalsContact O-N 3.17Å
413	A	68.7	Low	67.4	Low	60 Å²	60	117.8 Å²	117.8	50%	0.496	57%	0.57	S	S	.	*	H	α-helix	trans	-64.5	-40	176.8	0	0	0	0	0	112.5	A409 K410 Y416 R417	A409-A413 WeakPolarHBondContact O-CB 3.49Å; A409-A413 PolarHBondContact O-N 3.08Å; K410-A413 PolarHBondContact O-N 3Å; A413-Y416 PolarHBondContact O-N 2.94Å; A413-R417 PolarHBondContact O-N 3.4Å; A413-R417 VanDerWaalsContact O-N 3.15Å
414	G	66.7	Low	66.2	Low	30 Å²	30	117.9 Å²	117.9	31%	0.309	57%	0.567	S	S	.	*	H	α-helix	trans	-63.3	-43.5	175	0	0	0	0	0	113.1	K410 E411 Y416 R417 H418	K410-G414 PolarHBondContact O-N 2.6Å; E411-G414 PolarHBondContact O-N 2.86Å; G414-Y416 VanDerWaalsContact C-N 3.31Å; G414-Y416 PolarHBondContact O-N 2.85Å; G414-R417 PolarHBondContact O-N 3.14Å; G414-H418 PolarHBondContact O-CD2 3.08Å; G414-H418 PolarHBondContact O-N 2.84Å; G414-H418 VanDerWaalsContact O-N 3.08Å
415	R	66.1	Low	64.9	Low	192 Å²	192	124 Å²	124	73%	0.725	60%	0.595	S	S	*	*	H	α-helix	trans	-62.8	-35.5	175.6	-75.3	-177.1	-176.1	-178.3	2.4	112.9	E411 K412 H418 R419	E411-R415 PolarHBondContact O-N 3.48Å; K412-R415 PolarHBondContact O-N 2.95Å; R415-H418 PolarHBondContact O-N 3.12Å; R415-R419 PolarHBondContact O-N 3.29Å
416	Y	57.5	Low	63.4	Low	166 Å²	166	128.5 Å²	128.5	65%	0.651	61%	0.611	S	S	*	*	H	α-helix	trans	-70.5	-34.2	177	-132.4	-88.3	0	0	0	112.4	K412 A413 G414 K420	K412-Y416 PolarHBondContact O-N 2.65Å; K412-Y416 VanDerWaalsContact O-N 3.17Å; A413-Y416 PolarHBondContact O-N 2.94Å; G414-Y416 VanDerWaalsContact C-N 3.31Å; G414-Y416 PolarHBondContact O-N 2.85Å; Y416-K420 PolarHBondContact O-N 3.33Å
417	R	53.3	Low	62.2	Low	203 Å²	203	133.8 Å²	133.8	77%	0.766	63%	0.627	S	S	*	*	H	α-helix	trans	-66.1	-42.3	171.8	-90.5	-175.3	173.2	177.9	-2	112.3	A413 G414 K420	A413-R417 PolarHBondContact O-N 3.4Å; A413-R417 VanDerWaalsContact O-N 3.15Å; G414-R417 PolarHBondContact O-N 3.14Å; R417-K420 PolarHBondContact O-N 3.46Å
418	H	55.8	Low	61.4	Low	127 Å²	127	137.3 Å²	137.3	59%	0.588	64%	0.639	S	S	*	*	H	α-helix	trans	-67.8	-34.7	176.9	-80.4	-70.1	0	0	0	113.3	G414 R415 K420 L421 H422	G414-H418 PolarHBondContact O-CD2 3.08Å; G414-H418 PolarHBondContact O-N 2.84Å; G414-H418 VanDerWaalsContact O-N 3.08Å; R415-H418 PolarHBondContact O-N 3.12Å; H418-K420 VanDerWaalsContact C-N 3.27Å; H418-K420 PolarHBondContact O-N 2.99Å; H418-L421 PolarHBondContact O-N 3.37Å; H418-H422 PolarHBondContact O-CD2 3.38Å
419	R	56.6	Low	60.6	Low	210 Å²	210	144.7 Å²	144.7	79%	0.792	67%	0.666	S	S	*	*	H	α-helix	trans	-70.7	-16.1	174.8	-90.1	-173.2	174.8	179.5	-2.7	115	R415	R415-R419 PolarHBondContact O-N 3.29Å
420	K	55.6	Low	60.1	Low	168 Å²	168	151 Å²	151	73%	0.73	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-8.3	173.9	-79.4	-168.3	175	-170.8	0	113.4	Y416 R417 H418	Y416-K420 PolarHBondContact O-N 3.33Å; R417-K420 PolarHBondContact O-N 3.46Å; H418-K420 VanDerWaalsContact C-N 3.27Å; H418-K420 PolarHBondContact O-N 2.99Å
421	L	54.4	Low	59.5	Low	144 Å²	144	151.1 Å²	151.1	75%	0.754	68%	0.679	S	S	*	*			trans	-104.6	-0.4	-177.5	-72.9	167.1	0	0	0	113.2	H418	H418-L421 PolarHBondContact O-N 3.37Å
422	H	46.1	Very low	59	Low	222 Å²	222	153.2 Å²	153.2	100%	1.028	69%	0.686	S	S	*	*			trans	-112.2	0	165.4	-69.6	-67.5	0	0	0	107.8	H418	H418-H422 PolarHBondContact O-CD2 3.38Å

Retrieved 422 of 422 residues in 72.4 ms (Link to these results)

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