A0A087XMZ5_POEFO Loading...

Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 6

AlphaFold DB , UniProt , Accession A0A087XMZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 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	41.8	Very low	45.4	Very low	248 Å²	248	145.3 Å²	145.3	100%	1.222	79%	0.793	S	S	*	*				0	96	0	-149.3	163	-174.8	0	0	107.1
2	G	36.8	Very low	46.5	Very low	79 Å²	79	139.1 Å²	139.1	81%	0.814	77%	0.769	S	S	*	*			trans	-132.4	100.5	-175.3	0	0	0	0	0	109.9
3	L	37.5	Very low	47.6	Very low	158 Å²	158	138.8 Å²	138.8	83%	0.827	76%	0.758	S	S	*	*			trans	-76.4	118.1	174.7	-100.7	112.8	0	0	0	109.7
4	R	42.3	Very low	49	Very low	252 Å²	252	140.9 Å²	140.9	95%	0.951	75%	0.749	S	S	*	*			trans	-73.6	118	163.8	-94.3	179.9	170.5	179.6	-2.4	109.2
5	I	50.1	Low	50.2	Low	143 Å²	143	139.1 Å²	139.1	73%	0.733	74%	0.737	S	S	*	*			trans	-127.9	104.3	159.3	-55.3	176.8	0	0	0	107.1
6	S	44.9	Very low	51.8	Low	128 Å²	128	136.1 Å²	136.1	90%	0.895	73%	0.725	S	S	*	*			trans	-159.6	87.4	154.5	-161.8	0	0	0	0	109.9
7	G	51.4	Low	53.3	Low	55 Å²	55	134.4 Å²	134.4	57%	0.567	71%	0.714	S	S	*	*			trans	-145.5	5.6	175.7	0	0	0	0	0	114.1
8	K	46.8	Very low	54.5	Low	182 Å²	182	134.9 Å²	134.9	79%	0.791	71%	0.71	S	S	*	*	S	Bend	trans	-94.5	-25	-175.6	-83.3	-176.6	172.8	180	0	114.6
9	G	47.5	Very low	55.7	Low	49 Å²	49	134.9 Å²	134.9	51%	0.505	70%	0.704	S	S	.	*	H	α-helix	trans	-71.3	-44.2	-176.7	0	0	0	0	0	113.9	S12 H13	G9-S12 PolarHBondContact O-N 3.25Å; G9-H13 PolarHBondContact O-CD2 3.34Å; G9-H13 VanDerWaalsContact O-CD2 3.26Å; G9-H13 PolarHBondContact O-N 3.32Å
10	Q	48.9	Very low	56.9	Low	161 Å²	161	130.8 Å²	130.8	75%	0.752	69%	0.69	S	S	*	*	H	α-helix	trans	-77	-26.8	-171.6	-160	161.1	2.3	0	0	113.6	R14	Q10-R14 WeakPolarHBondContact O-CG 3.3Å; Q10-R14 PolarHBondContact O-N 2.89Å
11	Q	51.3	Low	57.9	Low	143 Å²	143	128.5 Å²	128.5	67%	0.668	68%	0.681	S	S	*	*	H	α-helix	trans	-75.2	-37.9	174.4	-123.8	176.4	-4.5	0	0	111.6	R14 M15	Q11-R14 PolarHBondContact O-N 3.12Å; Q11-M15 VanDerWaalsContact O-CG 3.3Å; Q11-M15 WeakPolarHBondContact O-CG 3.22Å; Q11-M15 PolarHBondContact O-N 2.91Å
12	S	58.3	Low	59.8	Low	71 Å²	71	123 Å²	123	50%	0.497	65%	0.651	S	S	.	*	H	α-helix	trans	-63.9	-46.2	176.9	-171.2	0	0	0	0	111.8	G9 R14 M15 V16	G9-S12 PolarHBondContact O-N 3.25Å; S12-R14 PolarHBondContact O-N 2.97Å; S12-M15 PolarHBondContact O-N 3.27Å; S12-V16 VanDerWaalsContact O-CG2 3.3Å; S12-V16 WeakPolarHBondContact O-CG2 3.43Å; S12-V16 PolarHBondContact O-N 2.97Å
13	H	61.5	Low	61.9	Low	135 Å²	135	123.5 Å²	123.5	63%	0.625	63%	0.634	S	S	*	*	H	α-helix	trans	-62.4	-39.4	176.6	-81.8	-73.8	0	0	0	113.3	G9 V16 I17	G9-H13 PolarHBondContact O-CD2 3.34Å; G9-H13 VanDerWaalsContact O-CD2 3.26Å; G9-H13 PolarHBondContact O-N 3.32Å; H13-V16 PolarHBondContact O-N 3.43Å; H13-I17 WeakPolarHBondContact O-CD1 3.46Å; H13-I17 VanDerWaalsContact O-CG1 3.24Å; H13-I17 WeakPolarHBondContact O-CG1 3.4Å; H13-I17 PolarHBondContact O-N 3.31Å
14	R	66.5	Low	63.8	Low	168 Å²	168	121.4 Å²	121.4	63%	0.634	62%	0.623	S	S	*	*	H	α-helix	trans	-65.1	-42.3	175.4	-74.5	177.2	118	176.4	1.1	111.5	Q10 Q11 S12 V16 I17 F18	Q10-R14 WeakPolarHBondContact O-CG 3.3Å; Q10-R14 PolarHBondContact O-N 2.89Å; Q11-R14 PolarHBondContact O-N 3.12Å; S12-R14 PolarHBondContact O-N 2.97Å; R14-V16 PolarHBondContact O-N 3.03Å; R14-I17 PolarHBondContact O-N 2.89Å; R14-F18 WeakPolarHBondContact O-CD2 3.38Å; R14-F18 PolarHBondContact O-N 3.09Å
15	M	67.7	Low	65.2	Low	115 Å²	115	112.3 Å²	112.3	57%	0.567	60%	0.596	S	S	*	*	H	α-helix	trans	-63	-40.5	176.7	-73.4	-70.6	-78.9	0	0	112.1	Q11 S12 F18 F19	Q11-M15 VanDerWaalsContact O-CG 3.3Å; Q11-M15 WeakPolarHBondContact O-CG 3.22Å; Q11-M15 PolarHBondContact O-N 2.91Å; S12-M15 PolarHBondContact O-N 3.27Å; M15-F18 PolarHBondContact O-N 3.37Å; M15-F19 WeakPolarHBondContact O-CB 3.33Å; M15-F19 PolarHBondContact O-N 2.81Å
16	V	75.4	Confident	66.3	Low	91 Å²	91	107.9 Å²	107.9	55%	0.552	58%	0.575	S	S	*	*	H	α-helix	trans	-64.2	-41.2	175.4	173.5	0	0	0	0	111.3	S12 H13 R14 F19 A20	S12-V16 VanDerWaalsContact O-CG2 3.3Å; S12-V16 WeakPolarHBondContact O-CG2 3.43Å; S12-V16 PolarHBondContact O-N 2.97Å; H13-V16 PolarHBondContact O-N 3.43Å; R14-V16 PolarHBondContact O-N 3.03Å; V16-F19 PolarHBondContact O-N 3.3Å; V16-A20 WeakPolarHBondContact O-CB 3.29Å; V16-A20 PolarHBondContact O-N 2.88Å
17	I	77.3	Confident	67.6	Low	106 Å²	106	106.7 Å²	106.7	54%	0.544	56%	0.558	S	S	.	*	H	α-helix	trans	-64.8	-44.6	176.3	-67.4	164	0	0	0	110.9	H13 R14 F19 A20 V21	H13-I17 WeakPolarHBondContact O-CD1 3.46Å; H13-I17 VanDerWaalsContact O-CG1 3.24Å; H13-I17 WeakPolarHBondContact O-CG1 3.4Å; H13-I17 PolarHBondContact O-N 3.31Å; R14-I17 PolarHBondContact O-N 2.89Å; I17-F19 VanDerWaalsContact C-N 3.34Å; I17-F19 PolarHBondContact O-N 2.79Å; I17-A20 PolarHBondContact O-N 3.34Å; I17-V21 HydrophobicContact CG2-CG2 4.36Å; I17-V21 VanDerWaalsContact O-CG2 3.3Å; I17-V21 WeakPolarHBondContact O-CG2 3.37Å; I17-V21 PolarHBondContact O-N 3.22Å
18	F	75.8	Confident	68.3	Low	145 Å²	145	109.5 Å²	109.5	64%	0.636	56%	0.559	S	S	*	*	H	α-helix	trans	-62.9	-40.1	177	-81.4	-67.2	0	0	0	112.2	R14 M15 V21 F22	R14-F18 WeakPolarHBondContact O-CD2 3.38Å; R14-F18 PolarHBondContact O-N 3.09Å; M15-F18 PolarHBondContact O-N 3.37Å; F18-V21 PolarHBondContact O-N 3.15Å; F18-F22 VanDerWaalsContact O-CB 3.27Å; F18-F22 WeakPolarHBondContact O-CB 3.3Å; F18-F22 PolarHBondContact O-N 3.07Å
19	F	76	Confident	69.2	Low	134 Å²	134	106.2 Å²	106.2	59%	0.588	55%	0.55	S	S	*	.	H	α-helix	trans	-64.7	-42.7	174.4	-107.3	-87.9	0	0	0	112.2	M15 V16 I17 F22 I23	M15-F19 WeakPolarHBondContact O-CB 3.33Å; M15-F19 PolarHBondContact O-N 2.81Å; V16-F19 PolarHBondContact O-N 3.3Å; I17-F19 VanDerWaalsContact C-N 3.34Å; I17-F19 PolarHBondContact O-N 2.79Å; F19-F22 PolarHBondContact O-N 3.38Å; F19-I23 WeakPolarHBondContact O-CB 3.1Å; F19-I23 VanDerWaalsContact O-CG1 3.3Å; F19-I23 WeakPolarHBondContact O-CG1 3.27Å; F19-I23 PolarHBondContact O-N 2.81Å
20	A	79.3	Confident	69.8	Low	53 Å²	53	109.1 Å²	109.1	44%	0.438	55%	0.553	S	S	.	*	H	α-helix	trans	-63.7	-43	177.2	0	0	0	0	0	111.7	V16 I17 I23 L24	V16-A20 WeakPolarHBondContact O-CB 3.29Å; V16-A20 PolarHBondContact O-N 2.88Å; I17-A20 PolarHBondContact O-N 3.34Å; A20-I23 PolarHBondContact O-N 3.33Å; A20-L24 WeakPolarHBondContact O-CB 3.5Å; A20-L24 PolarHBondContact O-N 3.26Å
21	V	79.6	Confident	70.4	Confident	83 Å²	83	111 Å²	111	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-65.3	-41.4	175.8	173	0	0	0	0	111.1	I17 F18 L24 T25	I17-V21 HydrophobicContact CG2-CG2 4.36Å; I17-V21 VanDerWaalsContact O-CG2 3.3Å; I17-V21 WeakPolarHBondContact O-CG2 3.37Å; I17-V21 PolarHBondContact O-N 3.22Å; F18-V21 PolarHBondContact O-N 3.15Å; V21-L24 PolarHBondContact O-N 3.16Å; V21-T25 HydrophobicContact CG1-CG2 4.36Å; V21-T25 WeakPolarHBondContact O-CG2 3.26Å; V21-T25 PolarHBondContact O-N 3.33Å; V21-T25 PolarHBondContact O-OG1 3.16Å
22	F	80.2	Confident	70.1	Confident	131 Å²	131	106.6 Å²	106.6	58%	0.575	55%	0.548	S	S	*	.	H	α-helix	trans	-64.5	-41.1	176.9	-175.8	-98.5	0	0	0	112.1	F18 F19 T25 T26	F18-F22 VanDerWaalsContact O-CB 3.27Å; F18-F22 WeakPolarHBondContact O-CB 3.3Å; F18-F22 PolarHBondContact O-N 3.07Å; F19-F22 PolarHBondContact O-N 3.38Å; F22-T25 WeakPolarHBondContact CA-OG1 3.13Å; F22-T25 PolarHBondContact O-OG1 2.99Å; F22-T25 VanDerWaalsContact O-OG1 3.05Å; F22-T26 VanDerWaalsContact O-CB 3.25Å; F22-T26 WeakPolarHBondContact O-CB 3.43Å; F22-T26 PolarHBondContact O-N 3.23Å; F22-T26 PolarHBondContact O-OG1 2.79Å
23	I	81.8	Confident	69.3	Low	91 Å²	91	107.2 Å²	107.2	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-65	-43.1	174.2	-70.8	173.5	0	0	0	110.3	F19 A20 T26 L27	F19-I23 WeakPolarHBondContact O-CB 3.1Å; F19-I23 VanDerWaalsContact O-CG1 3.3Å; F19-I23 WeakPolarHBondContact O-CG1 3.27Å; F19-I23 PolarHBondContact O-N 2.81Å; A20-I23 PolarHBondContact O-N 3.33Å; I23-T26 PolarHBondContact O-N 2.78Å; I23-L27 HydrophobicContact CG2-CD1 3.7Å; I23-L27 HydrophobicContact CG2-CG 4.28Å; I23-L27 VanDerWaalsContact O-CB 3.3Å; I23-L27 WeakPolarHBondContact O-CB 3.25Å; I23-L27 VanDerWaalsContact O-CG 3.26Å; I23-L27 WeakPolarHBondContact O-CG 3.07Å; I23-L27 PolarHBondContact O-N 3.32Å
24	L	76.3	Confident	68.4	Low	114 Å²	114	107.1 Å²	107.1	60%	0.597	56%	0.556	S	S	*	*	H	α-helix	trans	-64.9	-41.8	179.3	-132.2	98.1	0	0	0	112.3	A20 V21 L28	A20-L24 WeakPolarHBondContact O-CB 3.5Å; A20-L24 PolarHBondContact O-N 3.26Å; V21-L24 PolarHBondContact O-N 3.16Å; L24-L28 WeakPolarHBondContact O-CB 3.37Å; L24-L28 WeakPolarHBondContact O-CD1 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 3.06Å
25	T	72.4	Confident	67.2	Low	61 Å²	61	105.8 Å²	105.8	37%	0.374	56%	0.562	S	S	.	*	H	α-helix	trans	-70.5	-37.6	177.4	52.7	0	0	0	0	111.5	V21 F22 L28 I29	V21-T25 HydrophobicContact CG1-CG2 4.36Å; V21-T25 WeakPolarHBondContact O-CG2 3.26Å; V21-T25 PolarHBondContact O-N 3.33Å; V21-T25 PolarHBondContact O-OG1 3.16Å; F22-T25 WeakPolarHBondContact CA-OG1 3.13Å; F22-T25 PolarHBondContact O-OG1 2.99Å; F22-T25 VanDerWaalsContact O-OG1 3.05Å; T25-L28 PolarHBondContact O-N 3.44Å; T25-I29 WeakPolarHBondContact O-CB 2.96Å; T25-I29 WeakPolarHBondContact O-CD1 3.37Å; T25-I29 WeakPolarHBondContact O-CG1 3.23Å; T25-I29 PolarHBondContact O-N 2.83Å
26	T	74.3	Confident	65.5	Low	49 Å²	49	105.6 Å²	105.6	30%	0.301	57%	0.567	S	S	.	*	H	α-helix	trans	-67.2	-40.8	174.9	-51.8	0	0	0	0	111	F22 I23 I29 L30	F22-T26 VanDerWaalsContact O-CB 3.25Å; F22-T26 WeakPolarHBondContact O-CB 3.43Å; F22-T26 PolarHBondContact O-N 3.23Å; F22-T26 PolarHBondContact O-OG1 2.79Å; I23-T26 PolarHBondContact O-N 2.78Å; T26-I29 PolarHBondContact O-N 3.27Å; T26-L30 HydrophobicContact CG2-CD1 4.14Å; T26-L30 HydrophobicContact CG2-CG 4.5Å; T26-L30 WeakPolarHBondContact O-CB 3.4Å; T26-L30 VanDerWaalsContact O-CG 3.27Å; T26-L30 WeakPolarHBondContact O-CG 3.34Å; T26-L30 PolarHBondContact O-N 3.17Å
27	L	71.6	Confident	63.6	Low	103 Å²	103	106.5 Å²	106.5	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-65.2	-38.1	173	-75.3	169.4	0	0	0	112	I23 L30 Y31	I23-L27 HydrophobicContact CG2-CD1 3.7Å; I23-L27 HydrophobicContact CG2-CG 4.28Å; I23-L27 VanDerWaalsContact O-CB 3.3Å; I23-L27 WeakPolarHBondContact O-CB 3.25Å; I23-L27 VanDerWaalsContact O-CG 3.26Å; I23-L27 WeakPolarHBondContact O-CG 3.07Å; I23-L27 PolarHBondContact O-N 3.32Å; L27-L30 PolarHBondContact O-N 3.05Å; L27-Y31 WeakPolarHBondContact O-CB 3.22Å; L27-Y31 PolarHBondContact O-N 3.46Å
28	L	65.7	Low	61.3	Low	114 Å²	114	108 Å²	108	60%	0.597	59%	0.587	S	S	*	*	H	α-helix	trans	-66.8	-35.7	173.1	-83.5	160.9	0	0	0	112.5	L24 T25 G32	L24-L28 WeakPolarHBondContact O-CB 3.37Å; L24-L28 WeakPolarHBondContact O-CD1 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 3.06Å; T25-L28 PolarHBondContact O-N 3.44Å; L28-G32 WeakPolarHBondContact O-CA 3.41Å; L28-G32 PolarHBondContact O-N 3.38Å
29	I	65.6	Low	59.2	Low	114 Å²	114	104.7 Å²	104.7	59%	0.585	59%	0.593	S	S	*	*	H	α-helix	trans	-70.8	-41.8	174.4	-69.2	164	0	0	0	110.1	T25 T26 G32 S33	T25-I29 WeakPolarHBondContact O-CB 2.96Å; T25-I29 WeakPolarHBondContact O-CD1 3.37Å; T25-I29 WeakPolarHBondContact O-CG1 3.23Å; T25-I29 PolarHBondContact O-N 2.83Å; T26-I29 PolarHBondContact O-N 3.27Å; I29-G32 CarbonylContact O-C 3.57Å; I29-G32 PolarHBondContact O-N 2.81Å; I29-S33 WeakPolarHBondContact O-CA 3.38Å; I29-S33 WeakPolarHBondContact O-CB 3.47Å; I29-S33 PolarHBondContact O-N 2.94Å
30	L	61.3	Low	57	Low	109 Å²	109	103 Å²	103	57%	0.571	59%	0.594	S	S	*	*	H	α-helix	trans	-69.6	-40.5	177.2	-70.3	171	0	0	0	112	T26 L27 G32 S33 N34	T26-L30 HydrophobicContact CG2-CD1 4.14Å; T26-L30 HydrophobicContact CG2-CG 4.5Å; T26-L30 WeakPolarHBondContact O-CB 3.4Å; T26-L30 VanDerWaalsContact O-CG 3.27Å; T26-L30 WeakPolarHBondContact O-CG 3.34Å; T26-L30 PolarHBondContact O-N 3.17Å; L27-L30 PolarHBondContact O-N 3.05Å; L30-G32 VanDerWaalsContact C-N 3.34Å; L30-S33 PolarHBondContact O-N 3.22Å; L30-N34 PolarHBondContact O-N 3.28Å
31	Y	59.8	Low	54.9	Low	200 Å²	200	106.2 Å²	106.2	78%	0.784	60%	0.595	S	S	*	*	H	α-helix	trans	-67.7	-35.3	173.2	-164.2	-94.3	0	0	0	111.4	L27	L27-Y31 WeakPolarHBondContact O-CB 3.22Å; L27-Y31 PolarHBondContact O-N 3.46Å
32	G	45.6	Very low	52.6	Low	52 Å²	52	108.9 Å²	108.9	54%	0.536	61%	0.605	S	S	.	*	H	α-helix	trans	-76.8	-23.4	174.3	0	0	0	0	0	114.4	L28 I29 L30	L28-G32 WeakPolarHBondContact O-CA 3.41Å; L28-G32 PolarHBondContact O-N 3.38Å; I29-G32 CarbonylContact O-C 3.57Å; I29-G32 PolarHBondContact O-N 2.81Å; L30-G32 VanDerWaalsContact C-N 3.34Å
33	S	42.1	Very low	50.4	Low	84 Å²	84	103.7 Å²	103.7	59%	0.587	59%	0.585	S	S	*	*	H	α-helix	trans	-92.2	-2.3	-179	-166.9	0	0	0	0	113.2	I29 L30 N35	I29-S33 WeakPolarHBondContact O-CA 3.38Å; I29-S33 WeakPolarHBondContact O-CB 3.47Å; I29-S33 PolarHBondContact O-N 2.94Å; L30-S33 PolarHBondContact O-N 3.22Å; S33-N35 VanDerWaalsContact C-N 3.32Å
34	N	41.6	Very low	48.5	Very low	133 Å²	133	104.9 Å²	104.9	71%	0.711	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	11.5	172.7	-120.5	23.4	0	0	0	114	L30 T36	L30-N34 PolarHBondContact O-N 3.28Å; N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 PolarHBondContact O-N 3.41Å
35	N	42.1	Very low	46.6	Very low	140 Å²	140	106 Å²	106	75%	0.749	59%	0.589	S	S	*	*			trans	-90.4	68.2	159.8	-86.1	-17.1	0	0	0	109.4	S33 S37	S33-N35 VanDerWaalsContact C-N 3.32Å; N35-S37 PolarHBondContact O-N 3.5Å
36	T	31.3	Very low	45.1	Very low	110 Å²	110	107.1 Å²	107.1	68%	0.675	60%	0.596	S	S	*	*			trans	-56.2	94.6	145.9	38.6	0	0	0	0	106.3	N34 D38	N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 PolarHBondContact O-N 3.41Å; T36-D38 PolarHBondContact O-N 2.95Å
37	S	35.3	Very low	43.1	Very low	111 Å²	111	108.6 Å²	108.6	78%	0.776	61%	0.613	S	S	*	*			trans	-71	78.1	167	42.1	0	0	0	0	107	N35 G39	N35-S37 PolarHBondContact O-N 3.5Å; S37-G39 PolarHBondContact O-N 3.21Å
38	D	29.9	Very low	41.8	Very low	137 Å²	137	111.9 Å²	111.9	73%	0.733	63%	0.629	S	S	*	*			trans	-55	102.2	152.1	-81.2	-28.1	0	0	0	105.3	T36 V40	T36-D38 PolarHBondContact O-N 2.95Å; D38-V40 PolarHBondContact O-N 2.85Å
39	G	32.2	Very low	40.5	Very low	75 Å²	75	111.2 Å²	111.2	77%	0.773	63%	0.634	S	S	*	*			trans	-68.7	68.5	-178.9	0	0	0	0	0	110.2	S37 Y41	S37-G39 PolarHBondContact O-N 3.21Å; G39-Y41 PolarHBondContact O-N 3.11Å
40	V	30.1	Very low	39.2	Very low	99 Å²	99	114.3 Å²	114.3	60%	0.6	65%	0.645	S	S	*	*			trans	-71.6	105.9	167.3	-179.5	0	0	0	0	106.2	D38 I42	D38-V40 PolarHBondContact O-N 2.85Å; V40-I42 PolarHBondContact O-N 2.79Å
41	Y	34.7	Very low	38.1	Very low	120 Å²	120	113.1 Å²	113.1	47%	0.471	65%	0.652	S	S	.	*			trans	-64.4	101.8	176.8	-144.8	-92.1	0	0	0	108.3	G39 P43 I286	G39-Y41 PolarHBondContact O-N 3.11Å; Y41-P43 VanDerWaalsContact O-CD 3.25Å; Y41-P43 WeakPolarHBondContact O-CD 3.39Å; Y41-I286 WeakPolarHBondContact OH-CG2 3.19Å
42	I	30	Very low	37.5	Very low	139 Å²	139	106 Å²	106	71%	0.713	63%	0.629	S	S	*	*			trans	-71.4	119.6	174.6	-61.9	-169	0	0	0	108.5	V40 F44	V40-I42 PolarHBondContact O-N 2.79Å; I42-F44 PolarHBondContact O-N 3.45Å
43	P	34.3	Very low	37.6	Very low	22 Å²	22	111.5 Å²	111.5	14%	0.143	64%	0.638	C	S	.	*			trans	-63.2	123.1	174.2	-16.3	30.6	0	0	0	109.7	Y41 H45 E316	Y41-P43 VanDerWaalsContact O-CD 3.25Å; Y41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-H45 PolarHBondContact O-N 2.89Å; P43-E316 WeakPolarHBondContact CB-O 3.46Å; P43-E316 WeakPolarHBondContact CG-O 3.3Å
44	F	42.3	Very low	38	Very low	116 Å²	116	111.2 Å²	111.2	51%	0.509	63%	0.632	S	S	.	*			trans	-75.1	108.6	-176.7	-144.1	-97.1	0	0	0	109.8	I42 V46	I42-F44 PolarHBondContact O-N 3.45Å; F44-V46 HydrophobicContact CD1-CG2 3.67Å; F44-V46 HydrophobicContact CE1-CG2 3.85Å; F44-V46 PolarHBondContact O-N 3.45Å
45	H	37.2	Very low	38.4	Very low	137 Å²	137	108 Å²	108	63%	0.634	62%	0.624	S	S	*	*			trans	-86.5	95.1	169.1	-78.2	-66.4	0	0	0	109.9	P43	P43-H45 PolarHBondContact O-N 2.89Å
46	V	41.2	Very low	39.5	Very low	86 Å²	86	103.4 Å²	103.4	52%	0.521	60%	0.6	S	S	.	*			trans	-86.5	127.1	154.5	-175.6	0	0	0	0	106.6	F44 I48	F44-V46 HydrophobicContact CD1-CG2 3.67Å; F44-V46 HydrophobicContact CE1-CG2 3.85Å; F44-V46 PolarHBondContact O-N 3.45Å; V46-I48 PolarHBondContact O-N 3.4Å
47	A	32	Very low	41.2	Very low	80 Å²	80	98.4 Å²	98.4	66%	0.661	57%	0.569	S	S	*	*			trans	-48.4	130.7	175.5	0	0	0	0	0	110.2	S49	A47-S49 PolarHBondContact O-N 3.29Å
48	I	43.3	Very low	42.8	Very low	172 Å²	172	98.4 Å²	98.4	88%	0.882	55%	0.552	S	S	*	*			trans	-68.2	81	170	-58.6	172.5	0	0	0	106.4	V46 H50	V46-I48 PolarHBondContact O-N 3.4Å; I48-H50 PolarHBondContact O-N 3.43Å
49	S	38.7	Very low	44.4	Very low	99 Å²	99	100.5 Å²	100.5	69%	0.692	55%	0.554	S	S	*	*			trans	-77.8	103.2	164.9	47.2	0	0	0	0	107.4	A47	A47-S49 PolarHBondContact O-N 3.29Å
50	H	38.2	Very low	45.5	Very low	179 Å²	179	99.7 Å²	99.7	83%	0.829	53%	0.532	S	S	*	.	S	Bend	trans	27	107.5	159.6	-74	-82.6	0	0	0	117.5	I48 V52	I48-H50 PolarHBondContact O-N 3.43Å; H50-V52 PolarHBondContact O-N 3.35Å
51	A	39.2	Very low	46.7	Very low	85 Å²	85	95.2 Å²	95.2	70%	0.702	51%	0.505	S	S	*	.			trans	34.4	81.3	149.4	0	0	0	0	0	115.1	K53	A51-K53 PolarHBondContact O-N 2.91Å
52	V	45.8	Very low	47.8	Very low	51 Å²	51	90 Å²	90	31%	0.309	49%	0.489	S	S	.	.			trans	-59.3	95.9	154.6	178.7	0	0	0	0	106	H50 T54	H50-V52 PolarHBondContact O-N 3.35Å; V52-T54 PolarHBondContact O-N 3.09Å
53	K	49.5	Very low	49.5	Very low	167 Å²	167	89.4 Å²	89.4	73%	0.726	48%	0.477	S	S	*	.			trans	-54.3	127.4	172.3	-77.4	-177.7	176.9	179.4	0	106.6	A51 A55 D56	A51-K53 PolarHBondContact O-N 2.91Å; K53-A55 PolarHBondContact O-N 3.22Å; K53-D56 WeakPolarHBondContact O-CB 3.19Å; K53-D56 PolarHBondContact O-N 3.18Å
54	T	50	Low	51.6	Low	77 Å²	77	94.8 Å²	94.8	47%	0.472	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-21.9	176.3	44.9	0	0	0	0	113.8	V52 D56 L298 Y299	V52-T54 PolarHBondContact O-N 3.09Å; T54-D56 VanDerWaalsContact C-N 3.3Å; T54-D56 PolarHBondContact O-N 3.46Å; T54-L298 HydrophobicContact CG2-CB 4.14Å; T54-L298 HydrophobicContact CG2-CD2 4.3Å; T54-L298 VanDerWaalsContact CG2-O 3.23Å; T54-L298 WeakPolarHBondContact CG2-O 3.25Å; T54-Y299 WeakPolarHBondContact O-CE1 3.37Å; T54-Y299 PolarHBondContact O-OH 3.06Å
55	A	49.2	Very low	53.9	Low	65 Å²	65	90.2 Å²	90.2	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-70.6	-14.8	173.8	0	0	0	0	0	115.2	K53 K59	K53-A55 PolarHBondContact O-N 3.22Å; A55-K59 WeakPolarHBondContact O-CB 3.42Å; A55-K59 PolarHBondContact O-N 2.61Å
56	D	65.3	Low	56.5	Low	44 Å²	44	84.5 Å²	84.5	24%	0.235	46%	0.463	C	S	.	.	H	α-helix	trans	-76.8	-44.4	-170.2	-156.8	7.1	0	0	0	112.2	K53 T54 R58 K59 L60 R205	K53-D56 WeakPolarHBondContact O-CB 3.19Å; K53-D56 PolarHBondContact O-N 3.18Å; T54-D56 VanDerWaalsContact C-N 3.3Å; T54-D56 PolarHBondContact O-N 3.46Å; D56-R58 PolarHBondContact O-N 3.12Å; D56-K59 PolarHBondContact O-N 3.39Å; D56-L60 WeakPolarHBondContact O-CA 3.37Å; D56-L60 WeakPolarHBondContact O-CB 3.43Å; D56-L60 PolarHBondContact O-N 2.84Å; D56-L60 WeakPolarHBondContact OD1-CD1 3.43Å; D56-R205 IonicContact OD2-CZ 3.19Å; D56-R205 IonicContact OD2-NH1 2.61Å; D56-R205 PolarHBondContact OD2-NH1 2.92Å; D56-R205 IonicContact OD2-NH2 2.76Å; D56-R205 PolarHBondContact OD2-NH2 2.62Å
57	L	67.6	Low	59	Low	5 Å²	5	84.3 Å²	84.3	3%	0.026	46%	0.459	C	S	.	.	H	α-helix	trans	-67.1	-44.1	-177.1	-64.8	-177	0	0	0	113.6	K59 L60 A61 L202 I229 W295 Y299	L57-K59 PolarHBondContact O-N 3.39Å; L57-L60 PolarHBondContact O-N 2.92Å; L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 3.23Å; L57-L202 HydrophobicContact CD2-CD1 3.22Å; L57-L202 HydrophobicContact CD2-CD2 3.86Å; L57-L202 HydrophobicContact CD2-CG 4.18Å; L57-I229 HydrophobicContact CB-CG2 4.44Å; L57-W295 HydrophobicContact CD1-CD2 3.99Å; L57-W295 VanDerWaalsContact CD1-CE2 3.46Å; L57-W295 HydrophobicContact CD1-CG 4.34Å; L57-W295 HydrophobicContact CD1-CH2 4.49Å; L57-W295 HydrophobicContact CD1-CZ2 3.75Å; L57-W295 HydrophobicContact CD2-CZ2 4.47Å; L57-Y299 HydrophobicContact CB-CE1 4.45Å; L57-Y299 VanDerWaalsContact CB-OH 3.26Å; L57-Y299 WeakPolarHBondContact CB-OH 3.48Å; L57-Y299 HydrophobicContact CD1-CD2 4.45Å; L57-Y299 HydrophobicContact CD1-CE2 3.39Å; L57-Y299 WeakPolarHBondContact CD1-OH 3.3Å; L57-Y299 HydrophobicContact CG-CE2 4.24Å; L57-Y299 WeakPolarHBondContact CG-OH 3.27Å
58	R	67.8	Low	61.9	Low	112 Å²	112	82.6 Å²	82.6	42%	0.423	44%	0.441	S	S	.	.	H	α-helix	trans	-59.5	-32.5	177.3	-70.1	-175.8	174.9	-167.2	-1.6	111.5	D56 I229 C232 D233	D56-R58 PolarHBondContact O-N 3.12Å; R58-I229 HydrophobicContact CG-CG2 4.37Å; R58-C232 PolarHBondContact NH2-O 2.9Å; R58-D233 IonicContact CZ-OD1 3.54Å; R58-D233 IonicContact NH1-OD1 2.67Å; R58-D233 PolarHBondContact NH1-OD1 3.25Å; R58-D233 IonicContact NH2-OD1 2.66Å; R58-D233 PolarHBondContact NH2-OD1 3.27Å
59	K	63.3	Low	64.2	Low	180 Å²	180	74.7 Å²	74.7	78%	0.783	40%	0.401	S	S	*	.	H	α-helix	trans	-85.1	-40.5	178.2	-170.2	177.1	179.5	-179.8	0	113.5	A55 D56 L57	A55-K59 WeakPolarHBondContact O-CB 3.42Å; A55-K59 PolarHBondContact O-N 2.61Å; D56-K59 PolarHBondContact O-N 3.39Å; L57-K59 PolarHBondContact O-N 3.39Å
60	L	56.5	Low	66.5	Low	59 Å²	59	74.5 Å²	74.5	31%	0.309	39%	0.388	S	S	.	.	H	α-helix	trans	-78.7	-35.4	-172.8	-162.6	131.4	0	0	0	111.6	D56 L57	D56-L60 WeakPolarHBondContact O-CA 3.37Å; D56-L60 WeakPolarHBondContact O-CB 3.43Å; D56-L60 PolarHBondContact O-N 2.84Å; D56-L60 WeakPolarHBondContact OD1-CD1 3.43Å; L57-L60 PolarHBondContact O-N 2.92Å
61	A	55.6	Low	68.8	Low	4 Å²	4	68.2 Å²	68.2	3%	0.033	37%	0.372	C	S	.	.	H	α-helix	trans	-76.4	-35.6	174.7	0	0	0	0	0	111.5	L57 K195 V226 E230	L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 3.23Å; A61-K195 PolarHBondContact O-NZ 2.92Å; A61-V226 HydrophobicContact CB-CG1 3.87Å; A61-E230 HydrophobicContact CB-CG 3.82Å; A61-E230 WeakPolarHBondContact CB-OE1 3.27Å
62	G	56.7	Low	71.2	Confident	12 Å²	12	72.1 Å²	72.1	12%	0.124	38%	0.381	C	S	.	.			trans	61	141	167.3	0	0	0	0	0	114.7	D64 K195	G62-D64 PolarHBondContact O-N 3.27Å; G62-K195 PolarHBondContact O-NZ 3.02Å
63	R	66.2	Low	73.2	Confident	126 Å²	126	73 Å²	73	48%	0.475	38%	0.38	S	S	.	.	S	Bend	trans	-70.1	-15	-178.3	-70.1	-174.5	176.1	-179.7	-1.3	114.4	Y66 H78	R63-Y66 WeakPolarHBondContact O-CD2 3.42Å; R63-H78 PolarHBondContact NH2-ND1 2.97Å
64	D	79.3	Confident	75.1	Confident	135 Å²	135	68.8 Å²	68.8	72%	0.722	37%	0.372	S	S	*	.			trans	-74.5	160.9	178	-57.2	-44.9	0	0	0	113	G62 K195	G62-D64 PolarHBondContact O-N 3.27Å; D64-K195 WeakPolarHBondContact O-CD 3.24Å
65	G	88.7	Confident	77	Confident	20 Å²	20	66 Å²	66	21%	0.206	35%	0.354	C	S	.	.			trans	90.5	12.6	173	0	0	0	0	0	115	S192	G65-S192 WeakPolarHBondContact CA-OG 3.39Å; G65-S192 VanDerWaalsContact O-CB 3.25Å; G65-S192 WeakPolarHBondContact O-CB 3.42Å; G65-S192 PolarHBondContact O-N 3.14Å; G65-S192 PolarHBondContact O-OG 3.03Å; G65-S192 VanDerWaalsContact O-OG 3.12Å
66	Y	93.3	Very high	78.8	Confident	16 Å²	16	68.6 Å²	68.6	6%	0.063	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	110.9	158	-57.5	-70.3	0	0	0	108.8	R63 M75 I156 I191 K195 I227 E230	R63-Y66 WeakPolarHBondContact O-CD2 3.42Å; Y66-M75 HydrophobicContact CD2-CB 3.98Å; Y66-M75 HydrophobicContact CD2-CG 3.65Å; Y66-M75 HydrophobicContact CE2-CG 4.31Å; Y66-M75 HydrophobicContact CG-CB 4.16Å; Y66-M75 HydrophobicContact CG-CG 3.95Å; Y66-I156 HydrophobicContact CD1-CD1 4.05Å; Y66-I156 HydrophobicContact CD1-CG2 4.02Å; Y66-I156 HydrophobicContact CE1-CD1 3.93Å; Y66-I156 HydrophobicContact CE1-CG2 4.13Å; Y66-I191 HydrophobicContact CD1-CG1 4.29Å; Y66-I191 HydrophobicContact CE1-CG1 4.26Å; Y66-K195 HydrophobicContact CE1-CD 4.32Å; Y66-K195 HydrophobicContact CE2-CD 4.41Å; Y66-K195 VanDerWaalsContact CZ-CE 3.4Å; Y66-K195 WeakPolarHBondContact OH-CE 3.32Å; Y66-K195 PolarHBondContact OH-NZ 2.88Å; Y66-I227 HydrophobicContact CE1-CG1 4.35Å; Y66-I227 WeakPolarHBondContact OH-CG1 3.32Å; Y66-E230 WeakPolarHBondContact CE2-OE2 3.02Å; Y66-E230 PolarHBondContact OH-OE2 2.99Å
67	L	92.8	Very high	80	Confident	82 Å²	82	68.2 Å²	68.2	43%	0.429	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.1	-174.1	-58.2	176.7	0	0	0	110	V69 F189 S190	L67-V69 PolarHBondContact O-N 2.88Å; L67-F189 CarbonylContact O-C 3.19Å; L67-F189 VanDerWaalsContact O-CA 3.25Å; L67-F189 WeakPolarHBondContact O-CA 3.35Å; L67-S190 PolarHBondContact N-O 3.4Å; L67-S190 PolarHBondContact O-N 3.11Å; L67-S190 PolarHBondContact O-OG 3.04Å
68	P	93.2	Very high	81.2	Confident	45 Å²	45	71.9 Å²	71.9	29%	0.292	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	131.7	177.1	27.1	-34.7	0	0	0	109.8	K73 F189	P68-K73 HydrophobicContact CB-CB 4.43Å; P68-K73 WeakPolarHBondContact CB-O 3.36Å; P68-K73 WeakPolarHBondContact CG-O 3.38Å; P68-F189 HydrophobicContact CB-CD1 4.24Å; P68-F189 HydrophobicContact CB-CE1 4.11Å
69	V	91.6	Very high	82.4	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.03	35%	0.353	C	S	.	.	S	Bend	trans	-74.2	-34.2	176.6	175.8	0	0	0	0	110.6	L67 F173 I176 Q177 F188	L67-V69 PolarHBondContact O-N 2.88Å; V69-F173 HydrophobicContact CB-CE2 4.45Å; V69-F173 HydrophobicContact CG1-CD2 4.38Å; V69-F173 HydrophobicContact CG1-CE2 3.72Å; V69-F173 HydrophobicContact CG1-CZ 4.02Å; V69-F173 HydrophobicContact CG2-CE2 4.44Å; V69-I176 HydrophobicContact CB-CG2 4.33Å; V69-I176 HydrophobicContact CG1-CB 4.36Å; V69-I176 HydrophobicContact CG1-CG2 3.83Å; V69-I176 HydrophobicContact CG2-CG2 4.12Å; V69-Q177 HydrophobicContact CG1-CB 4.07Å; V69-F188 HydrophobicContact CB-CB 4.08Å; V69-F188 HydrophobicContact CG2-CB 4.3Å; V69-F188 PolarHBondContact N-O 2.72Å
70	F	87.8	Confident	84	Confident	96 Å²	96	66 Å²	66	42%	0.421	35%	0.346	S	S	.	.	S	Bend	trans	-144.1	147.1	178.3	178.4	-104.8	0	0	0	110.9	M181	F70-M181 HydrophobicContact CD1-CG 4.05Å; F70-M181 HydrophobicContact CD2-CG 3.46Å; F70-M181 VanDerWaalsContact CD2-CG 3.46Å; F70-M181 HydrophobicContact CD2-SD 4.13Å; F70-M181 HydrophobicContact CE1-CG 4.02Å; F70-M181 HydrophobicContact CE2-CG 3.44Å; F70-M181 VanDerWaalsContact CE2-CG 3.44Å; F70-M181 HydrophobicContact CE2-SD 3.89Å; F70-M181 HydrophobicContact CG-CG 3.78Å; F70-M181 HydrophobicContact CZ-CG 3.73Å
71	G	86.7	Confident	86	Confident	47 Å²	47	66.9 Å²	66.9	49%	0.485	35%	0.351	S	S	.	.	S	Bend	trans	70.8	-176.1	-177.1	0	0	0	0	0	113.7
72	N	87.9	Confident	88	Confident	167 Å²	167	66.8 Å²	66.8	89%	0.893	35%	0.35	S	S	*	.	S	Bend	trans	-105.9	68.9	175.7	-168.8	23.9	0	0	0	109.8
73	K	88.9	Confident	90	Very high	69 Å²	69	66.2 Å²	66.2	30%	0.3	34%	0.344	S	S	.	.			trans	-104.2	143.5	178.6	-62.4	-169.5	178.8	-173.1	0	110.2	P68 S184 L186 S187 F189	P68-K73 HydrophobicContact CB-CB 4.43Å; P68-K73 WeakPolarHBondContact CB-O 3.36Å; P68-K73 WeakPolarHBondContact CG-O 3.38Å; K73-S184 PolarHBondContact NZ-O 2.85Å; K73-L186 PolarHBondContact NZ-O 2.79Å; K73-S187 WeakPolarHBondContact CD-OG 3.29Å; K73-S187 PolarHBondContact NZ-OG 2.85Å; K73-F189 HydrophobicContact CB-CE1 4.39Å; K73-F189 HydrophobicContact CB-CZ 4.13Å
74	S	88.9	Confident	91.6	Very high	79 Å²	79	60.3 Å²	60.3	55%	0.552	32%	0.322	S	S	*	.			trans	-110	148	171.2	49.1	0	0	0	0	111.1	N76	S74-N76 PolarHBondContact O-N 2.96Å; S74-N76 PolarHBondContact OG-ND2 2.67Å
75	M	89.5	Confident	92.5	Very high	18 Å²	18	54 Å²	54	9%	0.089	29%	0.289	C	S	.	.			trans	-86	88.5	-178.6	-178.8	57.7	-171.9	0	0	110.3	Y66 L77 T154 I156 F189	Y66-M75 HydrophobicContact CD2-CB 3.98Å; Y66-M75 HydrophobicContact CD2-CG 3.65Å; Y66-M75 HydrophobicContact CE2-CG 4.31Å; Y66-M75 HydrophobicContact CG-CB 4.16Å; Y66-M75 HydrophobicContact CG-CG 3.95Å; M75-L77 HydrophobicContact CE-CB 3.59Å; M75-L77 HydrophobicContact CE-CD2 4.14Å; M75-L77 HydrophobicContact CE-CG 4.49Å; M75-L77 HydrophobicContact SD-CB 4.29Å; M75-T154 HydrophobicContact CE-CG2 4.12Å; M75-T154 HydrophobicContact SD-CG2 3.74Å; M75-I156 HydrophobicContact CE-CD1 3.92Å; M75-F189 HydrophobicContact CB-CD1 4.27Å; M75-F189 HydrophobicContact CB-CE1 3.98Å; M75-F189 HydrophobicContact CB-CE2 4.23Å; M75-F189 HydrophobicContact CB-CZ 3.95Å; M75-F189 HydrophobicContact SD-CD2 4Å; M75-F189 HydrophobicContact SD-CE2 3.77Å; M75-F189 HydrophobicContact SD-CZ 4.38Å
76	N	86.8	Confident	92.9	Very high	119 Å²	119	53.5 Å²	53.5	64%	0.636	28%	0.281	S	S	*	.			trans	-109.4	13.5	-176.6	-56.5	-34.4	0	0	0	113.9	S74 H78	S74-N76 PolarHBondContact O-N 2.96Å; S74-N76 PolarHBondContact OG-ND2 2.67Å; N76-H78 PolarHBondContact O-N 2.89Å
77	L	90.3	Very high	93.2	Very high	37 Å²	37	53.3 Å²	53.3	19%	0.194	28%	0.282	C	S	.	.			trans	-61.8	126.4	-179	-175.6	63.9	0	0	0	110.2	M75 T126 L127 I231	M75-L77 HydrophobicContact CE-CB 3.59Å; M75-L77 HydrophobicContact CE-CD2 4.14Å; M75-L77 HydrophobicContact CE-CG 4.49Å; M75-L77 HydrophobicContact SD-CB 4.29Å; L77-T126 HydrophobicContact CD1-CG2 4.42Å; L77-L127 HydrophobicContact CD2-CB 4.12Å; L77-L127 HydrophobicContact CD2-CD2 4.48Å; L77-I231 HydrophobicContact CD2-CD1 4.01Å; L77-I231 HydrophobicContact CG-CD1 4.41Å; L77-I231 WeakPolarHBondContact O-CB 3.25Å; L77-I231 WeakPolarHBondContact O-CG2 3.35Å
78	H	92.8	Very high	93.4	Very high	82 Å²	82	49.7 Å²	49.7	38%	0.38	26%	0.264	S	S	.	.			trans	-145.9	138	171.8	178	58	0	0	0	108.5	R63 N76 I231 D233	R63-H78 PolarHBondContact NH2-ND1 2.97Å; N76-H78 PolarHBondContact O-N 2.89Å; H78-I231 CarbonylContact C-O 3.56Å; H78-I231 VanDerWaalsContact CA-O 3.3Å; H78-I231 WeakPolarHBondContact CA-O 3.28Å; H78-I231 PolarHBondContact ND1-O 3.06Å; H78-D233 IonicContact CE1-OD1 3.39Å; H78-D233 IonicContact CE1-OD2 2.92Å; H78-D233 IonicContact NE2-OD2 3.41Å
79	C	94.6	Very high	93.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.6	-176.4	-32.8	0	0	0	0	109.4	E104 C105 I231 C232 D233	C79-E104 HydrophobicContact CB-CG 4.09Å; C79-C105 HydrophobicContact CB-CB 3.62Å; C79-C105 WeakPolarHBondContact CB-SG 3.37Å; C79-C105 WeakPolarHBondContact SG-CB 3.03Å; C79-C105 CovalentContact SG-SG 2.01Å; C79-C105 PolarHBondContact SG-SG 2.98Å; C79-I231 PolarHBondContact N-O 3.01Å; C79-C232 VanDerWaalsContact O-CA 3.26Å; C79-C232 WeakPolarHBondContact O-CA 3.46Å; C79-D233 PolarHBondContact O-N 2.91Å; C79-D233 VanDerWaalsContact O-N 3.15Å
80	R	96.3	Very high	93.8	Very high	168 Å²	168	48.8 Å²	48.8	63%	0.634	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	-43.7	174.8	-67.6	-178	-68.7	171.6	-3.5	110.8	E104 D233 N234	R80-E104 WeakPolarHBondContact CA-OE2 3.47Å; R80-E104 WeakPolarHBondContact CB-OE2 3.36Å; R80-E104 PolarHBondContact N-OE2 3.47Å; R80-D233 WeakPolarHBondContact O-CB 3.43Å; R80-D233 PolarHBondContact O-N 3.36Å; R80-N234 PolarHBondContact O-N 2.79Å; R80-N234 PolarHBondContact O-ND2 3.4Å
81	N	98.1	Very high	94.2	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.1	-177.3	-61.1	-46	0	0	0	111.2	T103 E104 C105 N234	N81-T103 HydrophobicContact CB-CG2 4.12Å; N81-T103 VanDerWaalsContact O-CG2 3.27Å; N81-T103 WeakPolarHBondContact O-CG2 3.27Å; N81-E104 PolarHBondContact N-OE2 3Å; N81-E104 WeakPolarHBondContact O-CB 3.5Å; N81-C105 PolarHBondContact O-N 3.13Å; N81-C105 VanDerWaalsContact O-N 3.14Å; N81-N234 PolarHBondContact OD1-ND2 2.91Å
82	C	98.4	Very high	94.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.5	179.3	-67.6	0	0	0	0	111.9	C105 I107 C232 N234 K236	C82-C105 CarbonylContact C-O 3.58Å; C82-C105 VanDerWaalsContact CA-O 3.3Å; C82-C105 WeakPolarHBondContact CA-O 3.21Å; C82-I107 HydrophobicContact CB-CD1 4.15Å; C82-C232 HydrophobicContact CB-CB 3.71Å; C82-C232 WeakPolarHBondContact CB-SG 3.26Å; C82-C232 WeakPolarHBondContact SG-CB 3.45Å; C82-C232 CovalentContact SG-SG 2.01Å; C82-C232 PolarHBondContact SG-SG 3.21Å; C82-N234 PolarHBondContact N-O 3.3Å; C82-K236 PolarHBondContact O-N 3.27Å
83	A	98.6	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.9	166.4	0	0	0	0	0	108.5	I100 T103 C105 I107 K236 Y238	A83-I100 HydrophobicContact CB-CG2 4.2Å; A83-T103 HydrophobicContact CB-CG2 3.85Å; A83-T103 VanDerWaalsContact N-CG2 3.3Å; A83-C105 PolarHBondContact N-O 3.41Å; A83-I107 PolarHBondContact O-N 3.14Å; A83-K236 CarbonylContact C-O 3.6Å; A83-K236 WeakPolarHBondContact CA-O 3.48Å; A83-Y238 HydrophobicContact CB-CD2 4.38Å; A83-Y238 HydrophobicContact CB-CE2 3.86Å
84	L	98.8	Very high	95.6	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	105.5	172.9	-168.4	169.6	0	0	0	108.3	T86 I107 M109 T224 M225 A228 I235 K236 V237 Y238	L84-T86 HydrophobicContact CD2-CG2 4.05Å; L84-I107 HydrophobicContact CG-CB 4.5Å; L84-M109 HydrophobicContact CD2-CE 3.88Å; L84-T224 HydrophobicContact CD1-CG2 3.96Å; L84-T224 HydrophobicContact CD2-CG2 4.5Å; L84-T224 HydrophobicContact CG-CG2 4.1Å; L84-M225 HydrophobicContact CD1-CE 4.25Å; L84-M225 HydrophobicContact CD1-SD 4.39Å; L84-A228 HydrophobicContact CD1-CB 4.13Å; L84-I235 HydrophobicContact CB-CG2 4.2Å; L84-K236 PolarHBondContact N-O 3.48Å; L84-V237 HydrophobicContact CB-CG2 4.34Å; L84-V237 HydrophobicContact CD2-CG1 4.31Å; L84-V237 CarbonylContact O-C 3.57Å; L84-V237 WeakPolarHBondContact O-CA 3.41Å; L84-Y238 PolarHBondContact O-N 2.97Å
85	V	98.6	Very high	96	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.1	179.5	-171.8	0	0	0	0	108.8	V91 I100 V106 I107 V121	V85-V91 HydrophobicContact CG1-CG2 4.48Å; V85-I100 HydrophobicContact CG2-CD1 3.91Å; V85-I100 HydrophobicContact CG2-CG1 4.26Å; V85-I100 HydrophobicContact CG2-CG2 3.83Å; V85-V106 HydrophobicContact CG2-CG1 4.25Å; V85-I107 PolarHBondContact N-O 3.34Å; V85-V121 HydrophobicContact CG1-CB 4.19Å; V85-V121 HydrophobicContact CG1-CG1 4.47Å
86	T	98.2	Very high	96.4	Very high	9 Å²	9	44 Å²	44	6%	0.055	22%	0.223	C	C	.	.			trans	-73.4	173	175.5	82.3	0	0	0	0	111.4	L84 S88 M109 V237 Y238 G239 M240	L84-T86 HydrophobicContact CD2-CG2 4.05Å; T86-S88 PolarHBondContact OG1-N 3.14Å; T86-M109 HydrophobicContact CG2-CE 4.28Å; T86-V237 HydrophobicContact CG2-CG1 4.03Å; T86-Y238 WeakPolarHBondContact CG2-O 3.32Å; T86-Y238 PolarHBondContact N-O 3.41Å; T86-Y238 PolarHBondContact OG1-O 3.23Å; T86-G239 VanDerWaalsContact OG1-C 3.24Å; T86-G239 PolarHBondContact OG1-O 2.87Å; T86-M240 HydrophobicContact CG2-CB 3.94Å; T86-M240 HydrophobicContact CG2-CE 3.57Å; T86-M240 HydrophobicContact CG2-CG 4.4Å
87	S	98.1	Very high	96.9	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.084	19%	0.193	C	C	.	.	S	Bend	trans	-88.2	-0.1	176.2	-57.9	0	0	0	0	113.9	H258 Y259	S87-H258 WeakPolarHBondContact CB-CD2 3.31Å; S87-H258 CarbonylContact O-C 3.13Å; S87-H258 WeakPolarHBondContact O-CA 3.26Å; S87-Y259 VanDerWaalsContact O-CD1 3.26Å; S87-Y259 WeakPolarHBondContact O-CD1 3.38Å; S87-Y259 PolarHBondContact O-N 3.47Å
88	S	97.6	Very high	97.3	Very high	6 Å²	6	42 Å²	42	4%	0.042	21%	0.213	C	C	.	.	S	Bend	trans	-78.1	148.7	-171.4	166.4	0	0	0	0	113.3	T86 H90 V91 G239 Y257 E267	T86-S88 PolarHBondContact OG1-N 3.14Å; S88-H90 PolarHBondContact O-N 2.96Å; S88-H90 VanDerWaalsContact O-N 3.1Å; S88-H90 PolarHBondContact OG-N 3.05Å; S88-H90 PolarHBondContact OG-ND1 3.25Å; S88-V91 WeakPolarHBondContact O-CG1 3.24Å; S88-V91 PolarHBondContact O-N 3.49Å; S88-G239 WeakPolarHBondContact CB-O 3.45Å; S88-G239 PolarHBondContact OG-O 2.86Å; S88-Y257 WeakPolarHBondContact CA-O 3.47Å; S88-E267 WeakPolarHBondContact CB-OE1 3.34Å; S88-E267 PolarHBondContact OG-OE1 3.47Å
89	S	97.1	Very high	97.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-63.2	-13.3	179.5	-60.8	0	0	0	0	114.5	V91 L92 M255 P256 H258 Y259	S89-V91 PolarHBondContact O-N 2.81Å; S89-V91 VanDerWaalsContact O-N 3.17Å; S89-L92 VanDerWaalsContact O-CB 3.3Å; S89-L92 WeakPolarHBondContact O-CB 3.44Å; S89-L92 WeakPolarHBondContact O-CG 3.22Å; S89-L92 PolarHBondContact O-N 3.42Å; S89-M255 VanDerWaalsContact O-CE 3.28Å; S89-M255 WeakPolarHBondContact O-CE 3.49Å; S89-P256 WeakPolarHBondContact CB-O 3.45Å; S89-P256 PolarHBondContact OG-O 2.93Å; S89-H258 PolarHBondContact OG-O 3.08Å; S89-Y259 WeakPolarHBondContact OG-CA 3.21Å; S89-Y259 PolarHBondContact OG-N 2.92Å
90	H	95.8	Very high	97.7	Very high	30 Å²	30	41.7 Å²	41.7	14%	0.139	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-65.7	-14	176.9	-73.2	87.1	0	0	0	114	S88 L92 V241 Y245 E267 S305	S88-H90 PolarHBondContact O-N 2.96Å; S88-H90 VanDerWaalsContact O-N 3.1Å; S88-H90 PolarHBondContact OG-N 3.05Å; S88-H90 PolarHBondContact OG-ND1 3.25Å; H90-L92 VanDerWaalsContact C-N 3.29Å; H90-V241 HydrophobicContact CB-CG1 4.41Å; H90-V241 WeakPolarHBondContact CE1-CG1 3.2Å; H90-V241 WeakPolarHBondContact ND1-CG1 3.45Å; H90-V241 WeakPolarHBondContact NE2-CG1 3.3Å; H90-Y245 AromaticContact CE1-CE1 3.93Å; H90-Y245 AromaticContact NE2-CE1 3.86Å; H90-Y245 AromaticContact NE2-CZ 3.48Å; H90-Y245 PolarHBondContact NE2-OH 2.91Å; H90-E267 IonicContact CE1-OE2 3.81Å; H90-E267 PolarHBondContact CE1-OE2 2.91Å; H90-E267 IonicContact ND1-OE2 3.62Å; H90-E267 PolarHBondContact ND1-OE2 3.22Å; H90-S305 CarbonylContact C-O 3.57Å
91	V	97.2	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-73.5	-21.6	171.6	79.4	0	0	0	0	112.6	V85 S88 S89 S94 D120 V121 Y259	V85-V91 HydrophobicContact CG1-CG2 4.48Å; S88-V91 WeakPolarHBondContact O-CG1 3.24Å; S88-V91 PolarHBondContact O-N 3.49Å; S89-V91 PolarHBondContact O-N 2.81Å; S89-V91 VanDerWaalsContact O-N 3.17Å; V91-S94 WeakPolarHBondContact O-CB 3.44Å; V91-S94 PolarHBondContact O-N 2.89Å; V91-S94 PolarHBondContact O-OG 3.05Å; V91-D120 WeakPolarHBondContact O-CB 3.35Å; V91-V121 HydrophobicContact CB-CG1 4.39Å; V91-V121 HydrophobicContact CG1-CG1 3.51Å; V91-V121 HydrophobicContact CG2-CG1 3.97Å; V91-Y259 HydrophobicContact CG1-CD1 3.7Å; V91-Y259 HydrophobicContact CG1-CE1 4.36Å; V91-Y259 HydrophobicContact CG1-CG 4.03Å
92	L	97.2	Very high	97.7	Very high	67 Å²	67	40.4 Å²	40.4	35%	0.351	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	137.8	-177.1	-65.1	175.7	0	0	0	111.6	S89 H90 S94 Y117 D120	S89-L92 VanDerWaalsContact O-CB 3.3Å; S89-L92 WeakPolarHBondContact O-CB 3.44Å; S89-L92 WeakPolarHBondContact O-CG 3.22Å; S89-L92 PolarHBondContact O-N 3.42Å; H90-L92 VanDerWaalsContact C-N 3.29Å; L92-S94 PolarHBondContact O-N 2.85Å; L92-Y117 HydrophobicContact CD2-CD1 3.69Å; L92-Y117 HydrophobicContact CD2-CE1 4.05Å; L92-D120 WeakPolarHBondContact CA-OD2 3.43Å
93	G	96.9	Very high	97.6	Very high	60 Å²	60	41.3 Å²	41.3	62%	0.619	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	2.7	-176.2	0	0	0	0	0	114.6	R95 D120	G93-R95 VanDerWaalsContact C-N 3.29Å; G93-R95 PolarHBondContact O-N 2.81Å; G93-D120 WeakPolarHBondContact CA-OD1 3.3Å; G93-D120 PolarHBondContact N-OD1 2.75Å; G93-D120 VanDerWaalsContact N-OD1 3.09Å; G93-D120 PolarHBondContact N-OD2 3.39Å
94	S	97	Very high	97.4	Very high	35 Å²	35	45.4 Å²	45.4	25%	0.245	23%	0.228	C	C	.	.			trans	-72.9	-22.1	178.3	68.6	0	0	0	0	113.5	V91 L92 A96 D120 S305	V91-S94 WeakPolarHBondContact O-CB 3.44Å; V91-S94 PolarHBondContact O-N 2.89Å; V91-S94 PolarHBondContact O-OG 3.05Å; L92-S94 PolarHBondContact O-N 2.85Å; S94-A96 PolarHBondContact O-N 3.35Å; S94-A96 VanDerWaalsContact O-N 3.1Å; S94-A96 PolarHBondContact OG-N 3.07Å; S94-D120 PolarHBondContact N-OD1 3.08Å; S94-D120 PolarHBondContact OG-O 2.85Å; S94-S305 WeakPolarHBondContact CB-OG 3.3Å
95	R	98	Very high	97.3	Very high	204 Å²	204	45.6 Å²	45.6	77%	0.77	23%	0.229	S	C	*	.			trans	52.1	27.9	-174.6	-55.9	-175.9	178.3	-174.1	-1.1	113.5	G93 G97 T119 D120	G93-R95 VanDerWaalsContact C-N 3.29Å; G93-R95 PolarHBondContact O-N 2.81Å; R95-G97 VanDerWaalsContact C-N 3.26Å; R95-G97 PolarHBondContact O-N 3.39Å; R95-T119 CarbonylContact C-O 3.45Å; R95-T119 WeakPolarHBondContact CA-O 3.4Å; R95-T119 HydrophobicContact CB-CG2 4.37Å; R95-T119 HydrophobicContact CG-CG2 4.09Å; R95-D120 PolarHBondContact N-OD1 3.36Å
96	A	98.3	Very high	97.2	Very high	8 Å²	8	45.5 Å²	45.5	7%	0.066	23%	0.229	C	C	.	.			trans	-81.8	-1.2	-174.7	0	0	0	0	0	113.6	S94 D98 E99 I100 T119 Y238	S94-A96 PolarHBondContact O-N 3.35Å; S94-A96 VanDerWaalsContact O-N 3.1Å; S94-A96 PolarHBondContact OG-N 3.07Å; A96-D98 PolarHBondContact O-N 3.43Å; A96-E99 WeakPolarHBondContact O-CB 3.23Å; A96-E99 PolarHBondContact O-N 3.18Å; A96-I100 HydrophobicContact CB-CD1 3.96Å; A96-I100 HydrophobicContact CB-CG1 4.37Å; A96-I100 WeakPolarHBondContact O-CG1 3.27Å; A96-I100 PolarHBondContact O-N 3.19Å; A96-T119 PolarHBondContact N-O 3.09Å; A96-Y238 HydrophobicContact CB-CD1 3.87Å; A96-Y238 HydrophobicContact CB-CE1 3.7Å
97	G	98.2	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-45.2	-169.4	0	0	0	0	0	114.4	R95 E99 I100 D101 E118 T119 G122	R95-G97 VanDerWaalsContact C-N 3.26Å; R95-G97 PolarHBondContact O-N 3.39Å; G97-E99 VanDerWaalsContact C-N 3.32Å; G97-E99 PolarHBondContact O-N 3.36Å; G97-I100 PolarHBondContact O-N 3.2Å; G97-D101 WeakPolarHBondContact O-CB 3.45Å; G97-D101 PolarHBondContact O-N 3.11Å; G97-E118 WeakPolarHBondContact CA-O 3.28Å; G97-T119 WeakPolarHBondContact CA-O 3.22Å; G97-T119 PolarHBondContact N-O 3.29Å; G97-G122 VanDerWaalsContact CA-N 3.27Å
98	D	98	Very high	97.2	Very high	116 Å²	116	44.6 Å²	44.6	62%	0.62	22%	0.223	S	C	*	.	H	α-helix	trans	-65.5	-34.7	177.7	-73	-10.8	0	0	0	112.7	A96 R102	A96-D98 PolarHBondContact O-N 3.43Å; D98-R102 WeakPolarHBondContact O-CG 3.33Å; D98-R102 VanDerWaalsContact O-CZ 3.23Å; D98-R102 PolarHBondContact O-N 3.39Å; D98-R102 PolarHBondContact O-NE 3.02Å; D98-R102 PolarHBondContact O-NH1 2.91Å
99	E	97.9	Very high	97.2	Very high	76 Å²	76	44.8 Å²	44.8	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-70.6	-44.6	176.5	-164.1	-159.5	149.7	0	0	111.1	A96 G97 D101 R102 T103 K236 Y238	A96-E99 WeakPolarHBondContact O-CB 3.23Å; A96-E99 PolarHBondContact O-N 3.18Å; G97-E99 VanDerWaalsContact C-N 3.32Å; G97-E99 PolarHBondContact O-N 3.36Å; E99-D101 VanDerWaalsContact C-N 3.32Å; E99-D101 PolarHBondContact O-N 3.49Å; E99-R102 PolarHBondContact O-N 2.82Å; E99-R102 VanDerWaalsContact O-N 3.09Å; E99-T103 PolarHBondContact O-N 3.01Å; E99-T103 PolarHBondContact O-OG1 3.28Å; E99-T103 VanDerWaalsContact O-OG1 3.13Å; E99-K236 VanDerWaalsContact CD-NZ 3.29Å; E99-K236 IonicContact OE1-NZ 3.88Å; E99-K236 PolarHBondContact OE1-NZ 3.2Å; E99-K236 IonicContact OE2-NZ 3.49Å; E99-K236 PolarHBondContact OE2-NZ 2.91Å; E99-Y238 VanDerWaalsContact CD-OH 3.28Å; E99-Y238 PolarHBondContact OE1-OH 3.05Å; E99-Y238 VanDerWaalsContact OE1-OH 3.06Å
100	I	98.1	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-49.2	175.3	-69.5	163.5	0	0	0	109.6	A83 V85 A96 G97 R102 T103 V106 Y238	A83-I100 HydrophobicContact CB-CG2 4.2Å; V85-I100 HydrophobicContact CG2-CD1 3.91Å; V85-I100 HydrophobicContact CG2-CG1 4.26Å; V85-I100 HydrophobicContact CG2-CG2 3.83Å; A96-I100 HydrophobicContact CB-CD1 3.96Å; A96-I100 HydrophobicContact CB-CG1 4.37Å; A96-I100 WeakPolarHBondContact O-CG1 3.27Å; A96-I100 PolarHBondContact O-N 3.19Å; G97-I100 PolarHBondContact O-N 3.2Å; I100-R102 PolarHBondContact O-N 3.1Å; I100-T103 WeakPolarHBondContact O-CB 3.37Å; I100-T103 PolarHBondContact O-N 2.9Å; I100-T103 PolarHBondContact O-OG1 3.35Å; I100-V106 HydrophobicContact CG2-CG1 3.73Å; I100-V106 HydrophobicContact CG2-CG2 3.98Å; I100-V106 VanDerWaalsContact O-CG2 3.31Å; I100-V106 WeakPolarHBondContact O-CG2 3.44Å; I100-Y238 HydrophobicContact CD1-CD1 4.04Å; I100-Y238 HydrophobicContact CD1-CD2 4.4Å; I100-Y238 HydrophobicContact CD1-CE1 4.27Å; I100-Y238 HydrophobicContact CD1-CG 4.12Å; I100-Y238 HydrophobicContact CG1-CD1 4.19Å; I100-Y238 HydrophobicContact CG1-CD2 4.13Å; I100-Y238 HydrophobicContact CG1-CE1 3.96Å; I100-Y238 HydrophobicContact CG1-CE2 3.88Å; I100-Y238 HydrophobicContact CG1-CG 4.27Å
101	D	96.3	Very high	97.3	Very high	35 Å²	35	44.9 Å²	44.9	19%	0.187	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.3	-179.9	-78.1	0.8	0	0	0	113.3	G97 E99 G122 N123 R124	G97-D101 WeakPolarHBondContact O-CB 3.45Å; G97-D101 PolarHBondContact O-N 3.11Å; E99-D101 VanDerWaalsContact C-N 3.32Å; E99-D101 PolarHBondContact O-N 3.49Å; D101-G122 WeakPolarHBondContact OD1-CA 3.3Å; D101-N123 VanDerWaalsContact CG-N 3.29Å; D101-N123 PolarHBondContact OD1-N 2.9Å; D101-N123 PolarHBondContact OD2-N 3Å; D101-R124 PolarHBondContact O-NH1 3.17Å; D101-R124 PolarHBondContact O-NH2 2.79Å; D101-R124 WeakPolarHBondContact OD1-CB 3.31Å; D101-R124 PolarHBondContact OD1-N 2.79Å
102	R	96.5	Very high	97.3	Very high	182 Å²	182	45 Å²	45	69%	0.687	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-10.1	167.9	-77.4	-174.9	-67.8	-94	-0.4	113.4	D98 E99 I100	D98-R102 WeakPolarHBondContact O-CG 3.33Å; D98-R102 VanDerWaalsContact O-CZ 3.23Å; D98-R102 PolarHBondContact O-N 3.39Å; D98-R102 PolarHBondContact O-NE 3.02Å; D98-R102 PolarHBondContact O-NH1 2.91Å; E99-R102 PolarHBondContact O-N 2.82Å; E99-R102 VanDerWaalsContact O-N 3.09Å; I100-R102 PolarHBondContact O-N 3.1Å
103	T	96.7	Very high	97.2	Very high	21 Å²	21	42.2 Å²	42.2	13%	0.129	21%	0.211	C	C	.	.	S	Bend	trans	-82.8	125.5	-174.9	-56.6	0	0	0	0	111.8	N81 A83 E99 I100 C105 R124	N81-T103 HydrophobicContact CB-CG2 4.12Å; N81-T103 VanDerWaalsContact O-CG2 3.27Å; N81-T103 WeakPolarHBondContact O-CG2 3.27Å; A83-T103 HydrophobicContact CB-CG2 3.85Å; A83-T103 VanDerWaalsContact N-CG2 3.3Å; E99-T103 PolarHBondContact O-N 3.01Å; E99-T103 PolarHBondContact O-OG1 3.28Å; E99-T103 VanDerWaalsContact O-OG1 3.13Å; I100-T103 WeakPolarHBondContact O-CB 3.37Å; I100-T103 PolarHBondContact O-N 2.9Å; I100-T103 PolarHBondContact O-OG1 3.35Å; T103-C105 PolarHBondContact O-N 3.47Å; T103-R124 VanDerWaalsContact C-NH2 3.33Å; T103-R124 PolarHBondContact O-NH2 2.99Å
104	E	95.4	Very high	97.1	Very high	86 Å²	86	39.5 Å²	39.5	40%	0.402	18%	0.183	S	C	.	.	S	Bend	trans	-37.4	-49.7	-174.8	-176.8	-177.1	177.8	0	0	114.3	C79 R80 N81	C79-E104 HydrophobicContact CB-CG 4.09Å; R80-E104 WeakPolarHBondContact CA-OE2 3.47Å; R80-E104 WeakPolarHBondContact CB-OE2 3.36Å; R80-E104 PolarHBondContact N-OE2 3.47Å; N81-E104 PolarHBondContact N-OE2 3Å; N81-E104 WeakPolarHBondContact O-CB 3.5Å
105	C	96.2	Very high	97	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.4	172.9	-70	0	0	0	0	112.7	C79 N81 C82 A83 T103 T126	C79-C105 HydrophobicContact CB-CB 3.62Å; C79-C105 WeakPolarHBondContact CB-SG 3.37Å; C79-C105 WeakPolarHBondContact SG-CB 3.03Å; C79-C105 CovalentContact SG-SG 2.01Å; C79-C105 PolarHBondContact SG-SG 2.98Å; N81-C105 PolarHBondContact O-N 3.13Å; N81-C105 VanDerWaalsContact O-N 3.14Å; C82-C105 CarbonylContact C-O 3.58Å; C82-C105 VanDerWaalsContact CA-O 3.3Å; C82-C105 WeakPolarHBondContact CA-O 3.21Å; A83-C105 PolarHBondContact N-O 3.41Å; T103-C105 PolarHBondContact O-N 3.47Å; C105-T126 HydrophobicContact CB-CG2 4.3Å
106	V	97.3	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.3	173.4	-175.7	0	0	0	0	109.9	V85 I100 R108 R124 T126 L127	V85-V106 HydrophobicContact CG2-CG1 4.25Å; I100-V106 HydrophobicContact CG2-CG1 3.73Å; I100-V106 HydrophobicContact CG2-CG2 3.98Å; I100-V106 VanDerWaalsContact O-CG2 3.31Å; I100-V106 WeakPolarHBondContact O-CG2 3.44Å; V106-R108 HydrophobicContact CG1-CG 4.37Å; V106-R124 VanDerWaalsContact CG1-O 3.32Å; V106-R124 WeakPolarHBondContact CG1-O 3.45Å; V106-R124 HydrophobicContact CG2-CB 4.3Å; V106-T126 PolarHBondContact N-OG1 2.83Å; V106-T126 PolarHBondContact O-N 3.45Å; V106-L127 PolarHBondContact O-N 2.81Å
107	I	98.1	Very high	96.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127	-177.5	-49.5	177.2	0	0	0	109.5	C82 A83 L84 V85 L127 T224 A228 I231	C82-I107 HydrophobicContact CB-CD1 4.15Å; A83-I107 PolarHBondContact O-N 3.14Å; L84-I107 HydrophobicContact CG-CB 4.5Å; V85-I107 PolarHBondContact N-O 3.34Å; I107-L127 CarbonylContact C-O 3.14Å; I107-L127 VanDerWaalsContact CA-O 3.31Å; I107-L127 WeakPolarHBondContact CA-O 3.25Å; I107-L127 HydrophobicContact CD1-CD2 4.41Å; I107-L127 HydrophobicContact CG1-CB 4.29Å; I107-L127 HydrophobicContact CG1-CD2 4.35Å; I107-L127 HydrophobicContact CG2-CB 4.39Å; I107-L127 HydrophobicContact CG2-CD2 4.09Å; I107-L127 HydrophobicContact CG2-CG 4.2Å; I107-T224 HydrophobicContact CG2-CG2 3.49Å; I107-T224 VanDerWaalsContact CG2-CG2 3.49Å; I107-A228 HydrophobicContact CD1-CB 3.81Å; I107-I231 HydrophobicContact CD1-CD1 4.24Å
108	R	97.9	Very high	96.8	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	168	177.9	-60.1	-171.6	-169.2	-92.6	-3.2	112.1	V106 T114 V121 G122 R124 T125 L127 R128 V129	V106-R108 HydrophobicContact CG1-CG 4.37Å; R108-T114 VanDerWaalsContact CZ-CG2 3.43Å; R108-V121 PolarHBondContact NH1-O 3.18Å; R108-V121 PolarHBondContact NH2-O 3.47Å; R108-G122 PolarHBondContact NH2-O 2.96Å; R108-R124 PolarHBondContact NE-O 2.98Å; R108-R124 PolarHBondContact NH2-O 2.86Å; R108-T125 HydrophobicContact CB-CG2 4.27Å; R108-T125 VanDerWaalsContact CD-OG1 3.28Å; R108-T125 WeakPolarHBondContact CD-OG1 3.36Å; R108-T125 HydrophobicContact CG-CG2 4.23Å; R108-T125 PolarHBondContact NE-OG1 2.79Å; R108-T125 VanDerWaalsContact NE-OG1 3.14Å; R108-L127 PolarHBondContact N-O 2.96Å; R108-R128 VanDerWaalsContact O-CA 3.3Å; R108-R128 WeakPolarHBondContact O-CA 3.5Å; R108-V129 PolarHBondContact O-N 3.26Å
109	M	98.1	Very high	96.8	Very high	11 Å²	11	38.7 Å²	38.7	5%	0.054	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.3	-176.7	-67.8	177	-89.4	0	0	112.3	L84 T86 D111 A112 R128 V129 T220 T224	L84-M109 HydrophobicContact CD2-CE 3.88Å; T86-M109 HydrophobicContact CG2-CE 4.28Å; M109-D111 PolarHBondContact O-N 2.89Å; M109-A112 WeakPolarHBondContact O-CB 3.42Å; M109-A112 PolarHBondContact O-N 3.24Å; M109-R128 PolarHBondContact O-NH1 3.46Å; M109-V129 CarbonylContact C-O 3.57Å; M109-V129 WeakPolarHBondContact CA-O 3.43Å; M109-T220 HydrophobicContact CB-CG2 3.97Å; M109-T220 HydrophobicContact CG-CG2 3.85Å; M109-T220 HydrophobicContact SD-CG2 4.06Å; M109-T224 HydrophobicContact CG-CG2 3.98Å; M109-T224 VanDerWaalsContact CG-OG1 3.29Å; M109-T224 WeakPolarHBondContact CG-OG1 3.31Å; M109-T224 HydrophobicContact SD-CG2 4.17Å; M109-T224 PolarHBondContact SD-OG1 2.86Å; M109-T224 VanDerWaalsContact SD-OG1 3.4Å
110	N	97.8	Very high	96.8	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.123	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-135.8	167	-65.6	-48.8	0	0	0	112.9	A112 R128 V129 A131 S134 V138 T220	N110-A112 VanDerWaalsContact C-N 3.33Å; N110-R128 WeakPolarHBondContact O-CD 3.32Å; N110-R128 PolarHBondContact O-NH1 3.02Å; N110-V129 PolarHBondContact N-O 2.86Å; N110-A131 WeakPolarHBondContact OD1-CB 3.18Å; N110-A131 PolarHBondContact OD1-N 3.13Å; N110-S134 WeakPolarHBondContact CB-OG 3.44Å; N110-S134 WeakPolarHBondContact OD1-CB 3.02Å; N110-S134 PolarHBondContact OD1-OG 3.06Å; N110-V138 VanDerWaalsContact O-CG2 3.22Å; N110-V138 WeakPolarHBondContact O-CG2 3.44Å; N110-T220 WeakPolarHBondContact ND2-CB 3.48Å; N110-T220 PolarHBondContact ND2-OG1 3.09Å
111	D	96.6	Very high	96.8	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.053	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	26.1	179.4	57.2	-55.9	0	0	0	113.5	M109 P113 R137 V138 Y145	M109-D111 PolarHBondContact O-N 2.89Å; D111-P113 WeakPolarHBondContact O-CD 3.44Å; D111-R137 HydrophobicContact CB-CB 4.03Å; D111-R137 IonicContact OD1-CZ 3.79Å; D111-R137 IonicContact OD1-NE 3.88Å; D111-R137 IonicContact OD1-NH2 3.36Å; D111-R137 PolarHBondContact OD1-NH2 2.69Å; D111-R137 IonicContact OD2-CZ 3.76Å; D111-R137 IonicContact OD2-NE 3.32Å; D111-R137 PolarHBondContact OD2-NE 3.48Å; D111-R137 IonicContact OD2-NH2 2.7Å; D111-V138 HydrophobicContact CB-CG2 4.23Å; D111-Y145 HydrophobicContact CB-CE1 4.25Å; D111-Y145 VanDerWaalsContact O-CE1 3.24Å; D111-Y145 WeakPolarHBondContact O-CE1 3.3Å
112	A	96.9	Very high	96.8	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	19%	0.188	C	C	.	.			trans	-69.8	110.8	175.5	0	0	0	0	0	110.5	M109 N110 R128 Y259 Y260	M109-A112 WeakPolarHBondContact O-CB 3.42Å; M109-A112 PolarHBondContact O-N 3.24Å; N110-A112 VanDerWaalsContact C-N 3.33Å; A112-R128 PolarHBondContact O-NH1 2.91Å; A112-R128 PolarHBondContact O-NH2 3.4Å; A112-Y259 HydrophobicContact CB-CE1 4.33Å; A112-Y259 WeakPolarHBondContact CB-OH 3.42Å; A112-Y260 HydrophobicContact CB-CD1 4.45Å; A112-Y260 HydrophobicContact CB-CE1 3.76Å
113	P	95.8	Very high	96.6	Very high	9 Å²	9	27 Å²	27	6%	0.058	16%	0.161	C	C	.	.			trans	-85.1	156.7	-173.7	35.2	-32.6	0	0	0	111.8	D111 Y117 Y145 Y259 Y260	D111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-Y117 HydrophobicContact CG-CD2 4.28Å; P113-Y117 HydrophobicContact CG-CE2 4.22Å; P113-Y145 HydrophobicContact CB-CE1 4.02Å; P113-Y259 HydrophobicContact CG-CE2 4.33Å; P113-Y259 WeakPolarHBondContact O-CE2 3.42Å; P113-Y259 PolarHBondContact O-OH 3.36Å; P113-Y260 VanDerWaalsContact CD-CD1 3.43Å; P113-Y260 HydrophobicContact CG-CD1 4.4Å; P113-Y260 HydrophobicContact CG-CD2 4.27Å; P113-Y260 HydrophobicContact CG-CG 3.86Å
114	T	95.2	Very high	96.4	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.025	16%	0.164	C	C	.	.			trans	-94.6	-26.5	166.6	57.6	0	0	0	0	112.5	R108 G116 Y117 E118 V121 G122 N123 R147	R108-T114 VanDerWaalsContact CZ-CG2 3.43Å; T114-G116 PolarHBondContact O-N 2.81Å; T114-Y117 CarbonylContact O-C 3.56Å; T114-Y117 PolarHBondContact O-N 2.86Å; T114-E118 PolarHBondContact O-N 3.28Å; T114-V121 HydrophobicContact CG2-CG2 4.45Å; T114-G122 VanDerWaalsContact CB-O 3.32Å; T114-G122 WeakPolarHBondContact CB-O 3.31Å; T114-G122 VanDerWaalsContact CG2-O 3.27Å; T114-G122 WeakPolarHBondContact CG2-O 3.48Å; T114-N123 WeakPolarHBondContact CB-OD1 3.43Å; T114-N123 PolarHBondContact OG1-OD1 2.97Å; T114-R147 PolarHBondContact OG1-NH1 3.29Å; T114-R147 PolarHBondContact OG1-NH2 3.32Å
115	S	93.9	Very high	96.4	Very high	62 Å²	62	24.7 Å²	24.7	43%	0.434	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	123.1	-173.8	-153.5	0	0	0	0	111.6	Y117 E118	S115-Y117 VanDerWaalsContact C-N 3.27Å; S115-Y117 VanDerWaalsContact O-CD2 3.25Å; S115-Y117 WeakPolarHBondContact O-CD2 3.36Å; S115-E118 VanDerWaalsContact CA-OE1 3.3Å; S115-E118 WeakPolarHBondContact CA-OE1 3.31Å
116	G	95.4	Very high	96.3	Very high	63 Å²	63	24.9 Å²	24.9	65%	0.649	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	3.2	-178.7	0	0	0	0	0	114.2	T114 E118	T114-G116 PolarHBondContact O-N 2.81Å; G116-E118 WeakPolarHBondContact CA-OE2 3.32Å; G116-E118 PolarHBondContact N-OE2 2.89Å
117	Y	97.2	Very high	96.2	Very high	61 Å²	61	24.9 Å²	24.9	24%	0.239	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	7.2	-179.9	-58.3	-80.9	0	0	0	112.2	L92 P113 T114 S115 T119 D120 V121 Y259 Y260	L92-Y117 HydrophobicContact CD2-CD1 3.69Å; L92-Y117 HydrophobicContact CD2-CE1 4.05Å; P113-Y117 HydrophobicContact CG-CD2 4.28Å; P113-Y117 HydrophobicContact CG-CE2 4.22Å; T114-Y117 CarbonylContact O-C 3.56Å; T114-Y117 PolarHBondContact O-N 2.86Å; S115-Y117 VanDerWaalsContact C-N 3.27Å; S115-Y117 VanDerWaalsContact O-CD2 3.25Å; S115-Y117 WeakPolarHBondContact O-CD2 3.36Å; Y117-T119 PolarHBondContact O-N 2.97Å; Y117-T119 VanDerWaalsContact O-N 3.12Å; Y117-D120 PolarHBondContact O-N 3.03Å; Y117-V121 WeakPolarHBondContact O-CG2 3.3Å; Y117-V121 PolarHBondContact O-N 2.01Å; Y117-Y259 AromaticContact CD1-CD2 3.76Å; Y117-Y259 HydrophobicContact CD1-CD2 3.76Å; Y117-Y259 HydrophobicContact CD1-CE2 4.33Å; Y117-Y259 HydrophobicContact CD2-CD2 4.03Å; Y117-Y259 AromaticContact CD2-CE2 3.87Å; Y117-Y259 HydrophobicContact CD2-CE2 3.87Å; Y117-Y259 HydrophobicContact CE1-CD2 4.02Å; Y117-Y259 VanDerWaalsContact CE1-O 3.29Å; Y117-Y259 WeakPolarHBondContact CE1-O 3.26Å; Y117-Y259 HydrophobicContact CE2-CD2 4.3Å; Y117-Y259 HydrophobicContact CE2-CE2 4.39Å; Y117-Y259 AromaticContact CG-CD2 3.77Å; Y117-Y259 HydrophobicContact CG-CD2 3.77Å; Y117-Y259 AromaticContact CG-CE2 3.87Å; Y117-Y259 HydrophobicContact CG-CE2 3.87Å; Y117-Y260 WeakPolarHBondContact OH-CA 3.42Å
118	E	96.9	Very high	96.2	Very high	65 Å²	65	25 Å²	25	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-53.9	-39.3	-169.3	-70.2	85.8	168.7	0	0	112.9	G97 T114 S115 G116 D120 G122 N123 R147	G97-E118 WeakPolarHBondContact CA-O 3.28Å; T114-E118 PolarHBondContact O-N 3.28Å; S115-E118 VanDerWaalsContact CA-OE1 3.3Å; S115-E118 WeakPolarHBondContact CA-OE1 3.31Å; G116-E118 WeakPolarHBondContact CA-OE2 3.32Å; G116-E118 PolarHBondContact N-OE2 2.89Å; E118-D120 PolarHBondContact O-N 3.18Å; E118-G122 VanDerWaalsContact O-CA 3.24Å; E118-G122 WeakPolarHBondContact O-CA 3.4Å; E118-G122 PolarHBondContact O-N 2.83Å; E118-N123 HydrophobicContact CG-CB 3.94Å; E118-R147 IonicContact OE1-NH1 3.34Å; E118-R147 PolarHBondContact OE1-NH1 3.02Å
119	T	98.4	Very high	96.2	Very high	95 Å²	95	24.9 Å²	24.9	58%	0.583	15%	0.147	S	C	*	.	H	α-helix	trans	-54.8	-38.7	177.3	-54.7	0	0	0	0	112.5	R95 A96 G97 Y117	R95-T119 CarbonylContact C-O 3.45Å; R95-T119 WeakPolarHBondContact CA-O 3.4Å; R95-T119 HydrophobicContact CB-CG2 4.37Å; R95-T119 HydrophobicContact CG-CG2 4.09Å; A96-T119 PolarHBondContact N-O 3.09Å; G97-T119 WeakPolarHBondContact CA-O 3.22Å; G97-T119 PolarHBondContact N-O 3.29Å; Y117-T119 PolarHBondContact O-N 2.97Å; Y117-T119 VanDerWaalsContact O-N 3.12Å
120	D	98.6	Very high	96.2	Very high	23 Å²	23	24.3 Å²	24.3	12%	0.123	15%	0.145	C	C	.	.	H	α-helix	trans	-96.9	-37.7	-175.2	-71.4	-37.3	0	0	0	112.6	V91 L92 G93 S94 R95 Y117 E118	V91-D120 WeakPolarHBondContact O-CB 3.35Å; L92-D120 WeakPolarHBondContact CA-OD2 3.43Å; G93-D120 WeakPolarHBondContact CA-OD1 3.3Å; G93-D120 PolarHBondContact N-OD1 2.75Å; G93-D120 VanDerWaalsContact N-OD1 3.09Å; G93-D120 PolarHBondContact N-OD2 3.39Å; S94-D120 PolarHBondContact N-OD1 3.08Å; S94-D120 PolarHBondContact OG-O 2.85Å; R95-D120 PolarHBondContact N-OD1 3.36Å; Y117-D120 PolarHBondContact O-N 3.03Å; E118-D120 PolarHBondContact O-N 3.18Å
121	V	97.9	Very high	96.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-111.7	-5.8	-169.7	-48.7	0	0	0	0	113.9	V85 V91 R108 T114 Y117 Y259	V85-V121 HydrophobicContact CG1-CB 4.19Å; V85-V121 HydrophobicContact CG1-CG1 4.47Å; V91-V121 HydrophobicContact CB-CG1 4.39Å; V91-V121 HydrophobicContact CG1-CG1 3.51Å; V91-V121 HydrophobicContact CG2-CG1 3.97Å; R108-V121 PolarHBondContact NH1-O 3.18Å; R108-V121 PolarHBondContact NH2-O 3.47Å; T114-V121 HydrophobicContact CG2-CG2 4.45Å; Y117-V121 WeakPolarHBondContact O-CG2 3.3Å; Y117-V121 PolarHBondContact O-N 2.01Å; V121-Y259 HydrophobicContact CG1-CE1 4.24Å; V121-Y259 HydrophobicContact CG1-CE2 4.31Å
122	G	96.2	Very high	96.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	15%	0.15	C	C	.	.			trans	72.6	178.2	-173.8	0	0	0	0	0	112.3	G97 D101 R108 T114 E118	G97-G122 VanDerWaalsContact CA-N 3.27Å; D101-G122 WeakPolarHBondContact OD1-CA 3.3Å; R108-G122 PolarHBondContact NH2-O 2.96Å; T114-G122 VanDerWaalsContact CB-O 3.32Å; T114-G122 WeakPolarHBondContact CB-O 3.31Å; T114-G122 VanDerWaalsContact CG2-O 3.27Å; T114-G122 WeakPolarHBondContact CG2-O 3.48Å; E118-G122 VanDerWaalsContact O-CA 3.24Å; E118-G122 WeakPolarHBondContact O-CA 3.4Å; E118-G122 PolarHBondContact O-N 2.83Å
123	N	93.4	Very high	96	Very high	23 Å²	23	29 Å²	29	12%	0.123	17%	0.174	C	C	.	.	S	Bend	trans	-118.6	-9.5	-179.5	-160.2	18	0	0	0	113.7	D101 T114 E118 R147	D101-N123 VanDerWaalsContact CG-N 3.29Å; D101-N123 PolarHBondContact OD1-N 2.9Å; D101-N123 PolarHBondContact OD2-N 3Å; T114-N123 WeakPolarHBondContact CB-OD1 3.43Å; T114-N123 PolarHBondContact OG1-OD1 2.97Å; E118-N123 HydrophobicContact CG-CB 3.94Å; N123-R147 PolarHBondContact OD1-NH1 3.17Å
124	R	92.2	Very high	96	Very high	53 Å²	53	28.7 Å²	28.7	20%	0.2	17%	0.172	C	C	.	.			trans	-85.2	148.2	-179.8	-159.3	161.3	79.6	-145.1	-8.1	112.5	D101 T103 V106 R108 D150	D101-R124 PolarHBondContact O-NH1 3.17Å; D101-R124 PolarHBondContact O-NH2 2.79Å; D101-R124 WeakPolarHBondContact OD1-CB 3.31Å; D101-R124 PolarHBondContact OD1-N 2.79Å; T103-R124 VanDerWaalsContact C-NH2 3.33Å; T103-R124 PolarHBondContact O-NH2 2.99Å; V106-R124 VanDerWaalsContact CG1-O 3.32Å; V106-R124 WeakPolarHBondContact CG1-O 3.45Å; V106-R124 HydrophobicContact CG2-CB 4.3Å; R108-R124 PolarHBondContact NE-O 2.98Å; R108-R124 PolarHBondContact NH2-O 2.86Å; R124-D150 VanDerWaalsContact CD-OD1 3.29Å; R124-D150 WeakPolarHBondContact CD-OD1 3.43Å; R124-D150 WeakPolarHBondContact CD-OD2 3.32Å; R124-D150 IonicContact NE-OD1 3.89Å; R124-D150 IonicContact NE-OD2 3.06Å; R124-D150 PolarHBondContact NE-OD2 2.81Å
125	T	94.1	Very high	96	Very high	6 Å²	6	28.5 Å²	28.5	4%	0.037	17%	0.171	C	C	.	.			trans	-143.4	118.3	170.5	-54.6	0	0	0	0	109.3	R108 R128 R148 S153	R108-T125 HydrophobicContact CB-CG2 4.27Å; R108-T125 VanDerWaalsContact CD-OG1 3.28Å; R108-T125 WeakPolarHBondContact CD-OG1 3.36Å; R108-T125 HydrophobicContact CG-CG2 4.23Å; R108-T125 PolarHBondContact NE-OG1 2.79Å; R108-T125 VanDerWaalsContact NE-OG1 3.14Å; T125-R128 HydrophobicContact CG2-CB 4.16Å; T125-R148 PolarHBondContact N-O 3.21Å; T125-S153 PolarHBondContact O-OG 3.48Å
126	T	94.6	Very high	96	Very high	10 Å²	10	30.2 Å²	30.2	6%	0.061	17%	0.171	C	C	.	.	S	Bend	trans	-98.2	-39.5	177.3	-42.7	0	0	0	0	110.8	L77 C105 V106 D150 S153 T154	L77-T126 HydrophobicContact CD1-CG2 4.42Å; C105-T126 HydrophobicContact CB-CG2 4.3Å; V106-T126 PolarHBondContact N-OG1 2.83Å; V106-T126 PolarHBondContact O-N 3.45Å; T126-D150 PolarHBondContact OG1-OD2 3.41Å; T126-S153 CarbonylContact O-C 3.49Å; T126-S153 WeakPolarHBondContact O-CA 3.17Å; T126-T154 PolarHBondContact O-N 3.18Å
127	L	95.8	Very high	95.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.7	176.3	173.9	62.9	0	0	0	110.7	L77 V106 I107 R108 V129 T154 I156 I227 I231	L77-L127 HydrophobicContact CD2-CB 4.12Å; L77-L127 HydrophobicContact CD2-CD2 4.48Å; V106-L127 PolarHBondContact O-N 2.81Å; I107-L127 CarbonylContact C-O 3.14Å; I107-L127 VanDerWaalsContact CA-O 3.31Å; I107-L127 WeakPolarHBondContact CA-O 3.25Å; I107-L127 HydrophobicContact CD1-CD2 4.41Å; I107-L127 HydrophobicContact CG1-CB 4.29Å; I107-L127 HydrophobicContact CG1-CD2 4.35Å; I107-L127 HydrophobicContact CG2-CB 4.39Å; I107-L127 HydrophobicContact CG2-CD2 4.09Å; I107-L127 HydrophobicContact CG2-CG 4.2Å; R108-L127 PolarHBondContact N-O 2.96Å; L127-V129 HydrophobicContact CG-CG2 4.45Å; L127-T154 CarbonylContact C-O 3.57Å; L127-T154 VanDerWaalsContact CA-O 3.32Å; L127-T154 WeakPolarHBondContact CA-O 3.4Å; L127-T154 HydrophobicContact CD1-CG2 3.82Å; L127-I156 HydrophobicContact CD1-CD1 3.72Å; L127-I156 HydrophobicContact CD1-CG1 3.84Å; L127-I227 HydrophobicContact CD2-CG2 3.81Å; L127-I231 HydrophobicContact CD2-CD1 3.5Å; L127-I231 VanDerWaalsContact CD2-CD1 3.5Å
128	R	97.1	Very high	95.8	Very high	1 Å²	1	29 Å²	29	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.6	170.4	-168.8	175.3	-78.1	-95.4	-0.7	112	R108 M109 N110 A112 T125 V130 Y145 M146 T154 I155 I156	R108-R128 VanDerWaalsContact O-CA 3.3Å; R108-R128 WeakPolarHBondContact O-CA 3.5Å; M109-R128 PolarHBondContact O-NH1 3.46Å; N110-R128 WeakPolarHBondContact O-CD 3.32Å; N110-R128 PolarHBondContact O-NH1 3.02Å; A112-R128 PolarHBondContact O-NH1 2.91Å; A112-R128 PolarHBondContact O-NH2 3.4Å; T125-R128 HydrophobicContact CG2-CB 4.16Å; R128-V130 HydrophobicContact CG-CG2 3.83Å; R128-Y145 PolarHBondContact NE-O 3.24Å; R128-Y145 PolarHBondContact NH2-O 3.25Å; R128-M146 HydrophobicContact CB-CE 4.37Å; R128-T154 PolarHBondContact N-O 3.31Å; R128-I155 CarbonylContact O-C 3.57Å; R128-I155 VanDerWaalsContact O-CA 3.31Å; R128-I155 WeakPolarHBondContact O-CA 3.36Å; R128-I156 PolarHBondContact O-N 2.66Å
129	V	98.3	Very high	95.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.4	175.8	-173.7	0	0	0	0	109.4	R108 M109 N110 L127 I156 T220 F223 T224 I227	R108-V129 PolarHBondContact O-N 3.26Å; M109-V129 CarbonylContact C-O 3.57Å; M109-V129 WeakPolarHBondContact CA-O 3.43Å; N110-V129 PolarHBondContact N-O 2.86Å; L127-V129 HydrophobicContact CG-CG2 4.45Å; V129-I156 CarbonylContact C-O 3.58Å; V129-I156 WeakPolarHBondContact CA-O 3.5Å; V129-T220 HydrophobicContact CB-CG2 4.29Å; V129-T220 HydrophobicContact CG1-CG2 4.01Å; V129-F223 HydrophobicContact CG1-CB 4.38Å; V129-T224 WeakPolarHBondContact CB-OG1 3.38Å; V129-T224 HydrophobicContact CG2-CG2 4.12Å; V129-I227 HydrophobicContact CG1-CD1 4.07Å; V129-I227 HydrophobicContact CG2-CD1 3.84Å
130	V	98	Very high	95	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.9	-168.6	-177	0	0	0	0	110.7	R128 V135 V138 I155 I156 F157 W158	R128-V130 HydrophobicContact CG-CG2 3.83Å; V130-V135 HydrophobicContact CG1-CG2 4.15Å; V130-V138 HydrophobicContact CG1-CB 4.47Å; V130-V138 HydrophobicContact CG1-CG2 4.05Å; V130-V138 HydrophobicContact CG2-CG1 4.38Å; V130-V138 HydrophobicContact CG2-CG2 4.31Å; V130-I155 HydrophobicContact CG2-CG2 3.78Å; V130-I156 PolarHBondContact N-O 3.08Å; V130-F157 HydrophobicContact CB-CD1 3.75Å; V130-F157 HydrophobicContact CB-CE1 3.93Å; V130-F157 HydrophobicContact CG1-CD1 3.93Å; V130-F157 HydrophobicContact CG1-CE1 3.98Å; V130-F157 HydrophobicContact CG2-CE1 4.31Å; V130-F157 WeakPolarHBondContact O-CA 3.41Å; V130-W158 PolarHBondContact O-N 2.82Å
131	A	97.4	Very high	94.5	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.033	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	151.6	170	0	0	0	0	0	111.2	N110 S133 S134 V135 W158	N110-A131 WeakPolarHBondContact OD1-CB 3.18Å; N110-A131 PolarHBondContact OD1-N 3.13Å; A131-S133 PolarHBondContact O-N 3.31Å; A131-S133 VanDerWaalsContact O-N 3.08Å; A131-S134 WeakPolarHBondContact O-CA 3.24Å; A131-S134 PolarHBondContact O-N 3.44Å; A131-V135 PolarHBondContact O-N 3.22Å; A131-W158 CarbonylContact C-O 3.6Å; A131-W158 WeakPolarHBondContact CA-O 3.42Å; A131-W158 HydrophobicContact CB-CD2 4.39Å; A131-W158 HydrophobicContact CB-CH2 4.42Å; A131-W158 HydrophobicContact CB-CZ2 3.54Å
132	H	95	Very high	93.6	Very high	55 Å²	55	36.4 Å²	36.4	26%	0.255	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.5	177.2	75.5	-72.8	0	0	0	113.8	S134 V135 W158 P160 K163 I164 L172	H132-S134 PolarHBondContact O-N 3.3Å; H132-V135 PolarHBondContact O-N 3.2Å; H132-W158 PolarHBondContact N-O 2.96Å; H132-P160 VanDerWaalsContact CG-CD 3.49Å; H132-P160 VanDerWaalsContact ND1-CD 3.35Å; H132-P160 WeakPolarHBondContact ND1-CD 3.45Å; H132-K163 HydrophobicContact CB-CB 4.45Å; H132-I164 HydrophobicContact CB-CD1 3.62Å; H132-I164 HydrophobicContact CB-CG1 3.6Å; H132-L172 HydrophobicContact CB-CD1 4.16Å; H132-L172 VanDerWaalsContact O-CD1 3.32Å; H132-L172 WeakPolarHBondContact O-CD1 3.44Å
133	S	94.9	Very high	92.8	Very high	73 Å²	73	41.5 Å²	41.5	51%	0.51	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-15.4	178	55.2	0	0	0	0	114	A131 R137	A131-S133 PolarHBondContact O-N 3.31Å; A131-S133 VanDerWaalsContact O-N 3.08Å; S133-R137 PolarHBondContact O-NH1 2.83Å
134	S	96.3	Very high	92.3	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.028	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-13	-179.2	-56	0	0	0	0	113.1	N110 A131 H132 F136 R137 V138	N110-S134 WeakPolarHBondContact CB-OG 3.44Å; N110-S134 WeakPolarHBondContact OD1-CB 3.02Å; N110-S134 PolarHBondContact OD1-OG 3.06Å; A131-S134 WeakPolarHBondContact O-CA 3.24Å; A131-S134 PolarHBondContact O-N 3.44Å; H132-S134 PolarHBondContact O-N 3.3Å; S134-F136 VanDerWaalsContact C-N 3.28Å; S134-F136 PolarHBondContact O-N 2.61Å; S134-R137 PolarHBondContact O-N 3.04Å; S134-R137 VanDerWaalsContact O-N 3.07Å; S134-R137 PolarHBondContact OG-NH2 2.85Å; S134-V138 WeakPolarHBondContact O-CG2 3.3Å; S134-V138 PolarHBondContact O-N 3.44Å
135	V	95.1	Very high	91.9	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-49.1	-49.2	-177.5	168.8	0	0	0	0	111.9	V130 A131 H132 R137 V138 M139 F157 I164 L172 L175 I176	V130-V135 HydrophobicContact CG1-CG2 4.15Å; A131-V135 PolarHBondContact O-N 3.22Å; H132-V135 PolarHBondContact O-N 3.2Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.33Å; V135-V138 PolarHBondContact O-N 3.15Å; V135-M139 HydrophobicContact CG1-CG 3.91Å; V135-M139 WeakPolarHBondContact O-CB 3.45Å; V135-M139 VanDerWaalsContact O-CG 3.23Å; V135-M139 WeakPolarHBondContact O-CG 3.26Å; V135-M139 PolarHBondContact O-N 2.83Å; V135-F157 HydrophobicContact CG2-CD1 3.72Å; V135-F157 HydrophobicContact CG2-CE1 4.14Å; V135-I164 HydrophobicContact CG2-CD1 3.8Å; V135-L172 HydrophobicContact CB-CD1 4.4Å; V135-L172 HydrophobicContact CB-CD2 4.25Å; V135-L172 HydrophobicContact CG1-CB 4.25Å; V135-L172 HydrophobicContact CG1-CD2 4.04Å; V135-L175 HydrophobicContact CG1-CD2 4.43Å; V135-I176 HydrophobicContact CG1-CD1 3.88Å; V135-I176 HydrophobicContact CG1-CG1 3.64Å; V135-I176 HydrophobicContact CG2-CD1 4.07Å
136	F	93.4	Very high	90.8	Very high	97 Å²	97	41.5 Å²	41.5	43%	0.425	19%	0.189	S	C	.	.	H	α-helix	trans	-62	-41.5	-176.4	-176.2	-93.2	0	0	0	112.7	S134 R140 L175	S134-F136 VanDerWaalsContact C-N 3.28Å; S134-F136 PolarHBondContact O-N 2.61Å; F136-R140 WeakPolarHBondContact O-CB 3.44Å; F136-R140 WeakPolarHBondContact O-CG 3.48Å; F136-R140 PolarHBondContact O-N 3.06Å; F136-L175 HydrophobicContact CD2-CD2 4.39Å
137	R	93.7	Very high	89.2	Confident	100 Å²	100	45.4 Å²	45.4	38%	0.377	20%	0.202	S	C	.	.	H	α-helix	trans	-66.5	-46.7	179	-66	-169.1	-63.1	-69.6	-6.7	110.5	D111 S133 S134 V135 Y145	D111-R137 HydrophobicContact CB-CB 4.03Å; D111-R137 IonicContact OD1-CZ 3.79Å; D111-R137 IonicContact OD1-NE 3.88Å; D111-R137 IonicContact OD1-NH2 3.36Å; D111-R137 PolarHBondContact OD1-NH2 2.69Å; D111-R137 IonicContact OD2-CZ 3.76Å; D111-R137 IonicContact OD2-NE 3.32Å; D111-R137 PolarHBondContact OD2-NE 3.48Å; D111-R137 IonicContact OD2-NH2 2.7Å; S133-R137 PolarHBondContact O-NH1 2.83Å; S134-R137 PolarHBondContact O-N 3.04Å; S134-R137 VanDerWaalsContact O-N 3.07Å; S134-R137 PolarHBondContact OG-NH2 2.85Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.33Å; R137-Y145 WeakPolarHBondContact O-CE2 3.3Å
138	V	93.8	Very high	87.7	Confident	0 Å²	0	53 Å²	53	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-45.4	-178.8	-174.8	0	0	0	0	111.9	N110 D111 V130 S134 V135 R141 Y145 M146	N110-V138 VanDerWaalsContact O-CG2 3.22Å; N110-V138 WeakPolarHBondContact O-CG2 3.44Å; D111-V138 HydrophobicContact CB-CG2 4.23Å; V130-V138 HydrophobicContact CG1-CB 4.47Å; V130-V138 HydrophobicContact CG1-CG2 4.05Å; V130-V138 HydrophobicContact CG2-CG1 4.38Å; V130-V138 HydrophobicContact CG2-CG2 4.31Å; S134-V138 WeakPolarHBondContact O-CG2 3.3Å; S134-V138 PolarHBondContact O-N 3.44Å; V135-V138 PolarHBondContact O-N 3.15Å; V138-R141 CarbonylContact O-C 3.58Å; V138-R141 PolarHBondContact O-N 2.81Å; V138-Y145 HydrophobicContact CB-CD2 4.32Å; V138-Y145 HydrophobicContact CG1-CD2 4.2Å; V138-Y145 HydrophobicContact CG1-CG 4.29Å; V138-M146 HydrophobicContact CG1-CE 3.96Å
139	M	91	Very high	86	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-78	-19.9	-173.4	-65.5	-63.3	94.5	0	0	114.2	V135 I155 F157 L175 I176 I179 F188	V135-M139 HydrophobicContact CG1-CG 3.91Å; V135-M139 WeakPolarHBondContact O-CB 3.45Å; V135-M139 VanDerWaalsContact O-CG 3.23Å; V135-M139 WeakPolarHBondContact O-CG 3.26Å; V135-M139 PolarHBondContact O-N 2.83Å; M139-I155 HydrophobicContact CE-CD1 4.13Å; M139-F157 HydrophobicContact CE-CE1 4.12Å; M139-F157 HydrophobicContact CE-CZ 3.79Å; M139-F157 HydrophobicContact CG-CE1 4.45Å; M139-F157 HydrophobicContact SD-CE1 4.23Å; M139-F157 HydrophobicContact SD-CZ 3.8Å; M139-L175 HydrophobicContact CB-CD2 4.01Å; M139-L175 HydrophobicContact CB-CG 4.03Å; M139-I176 HydrophobicContact CG-CG1 4.3Å; M139-I179 HydrophobicContact CB-CG1 4.29Å; M139-I179 HydrophobicContact SD-CB 4.21Å; M139-I179 HydrophobicContact SD-CG2 4Å; M139-F188 HydrophobicContact CE-CE1 4.15Å; M139-F188 HydrophobicContact SD-CD1 4.43Å; M139-F188 HydrophobicContact SD-CE1 3.84Å
140	R	88.5	Confident	84.3	Confident	169 Å²	169	57.5 Å²	57.5	64%	0.638	26%	0.256	S	S	*	.	H	α-helix	trans	-81.6	-18.4	173.7	-79.4	-164.8	167.4	-170.9	1	113.8	F136 P142	F136-R140 WeakPolarHBondContact O-CB 3.44Å; F136-R140 WeakPolarHBondContact O-CG 3.48Å; F136-R140 PolarHBondContact O-N 3.06Å; R140-P142 VanDerWaalsContact C-CD 3.41Å
141	R	86.9	Confident	82.5	Confident	151 Å²	151	68.2 Å²	68.2	57%	0.57	30%	0.298	S	S	*	.			trans	-130.6	59.6	177.8	-57.9	-174.1	-176.1	172.5	-1.8	110.7	V138 N143 E144 Y145	V138-R141 CarbonylContact O-C 3.58Å; V138-R141 PolarHBondContact O-N 2.81Å; R141-N143 PolarHBondContact O-N 3.38Å; R141-E144 HydrophobicContact CB-CB 3.87Å; R141-E144 WeakPolarHBondContact CD-OE2 3.34Å; R141-E144 IonicContact CZ-OE2 3.88Å; R141-E144 IonicContact NE-OE2 3.66Å; R141-E144 IonicContact NH1-OE2 3.8Å; R141-E144 PolarHBondContact NH1-OE2 2.86Å; R141-E144 WeakPolarHBondContact O-CB 3.41Å; R141-E144 PolarHBondContact O-N 3.19Å; R141-Y145 HydrophobicContact CB-CD2 4.24Å; R141-Y145 HydrophobicContact CB-CE2 3.96Å; R141-Y145 VanDerWaalsContact O-CD2 3.23Å; R141-Y145 WeakPolarHBondContact O-CD2 2.93Å; R141-Y145 PolarHBondContact O-N 2.83Å
142	P	79	Confident	81.2	Confident	14 Å²	14	73.3 Å²	73.3	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-55.7	-42.4	-177.5	23.6	-33.3	0	0	0	111.1	R140 E144 Y145 M146 Y183	R140-P142 VanDerWaalsContact C-CD 3.41Å; P142-E144 VanDerWaalsContact C-N 3.27Å; P142-E144 PolarHBondContact O-N 3.13Å; P142-Y145 PolarHBondContact O-N 2.01Å; P142-Y145 VanDerWaalsContact O-N 3.16Å; P142-M146 WeakPolarHBondContact O-CA 3.03Å; P142-M146 WeakPolarHBondContact O-CB 3.1Å; P142-M146 VanDerWaalsContact O-CG 3.25Å; P142-M146 WeakPolarHBondContact O-CG 3.48Å; P142-M146 PolarHBondContact O-N 2.84Å; P142-Y183 HydrophobicContact CB-CE1 4.32Å; P142-Y183 HydrophobicContact CB-CE2 4.07Å; P142-Y183 HydrophobicContact CG-CE1 4.4Å; P142-Y183 HydrophobicContact CG-CE2 3.79Å; P142-Y183 VanDerWaalsContact CG-OH 3.22Å; P142-Y183 WeakPolarHBondContact CG-OH 3.26Å
143	N	79.8	Confident	80.9	Confident	108 Å²	108	70.8 Å²	70.8	58%	0.578	31%	0.314	S	S	*	.	H	α-helix	trans	-61.2	-30.1	177.7	-62.6	-17.2	0	0	0	113.9	R141 R147	R141-N143 PolarHBondContact O-N 3.38Å; N143-R147 VanDerWaalsContact O-CA 3.27Å; N143-R147 WeakPolarHBondContact O-CA 3.43Å; N143-R147 WeakPolarHBondContact O-CB 3.28Å; N143-R147 VanDerWaalsContact O-CG 3.3Å; N143-R147 WeakPolarHBondContact O-CG 3.34Å; N143-R147 PolarHBondContact O-N 3.15Å
144	E	82.9	Confident	80.9	Confident	49 Å²	49	67.8 Å²	67.8	23%	0.229	29%	0.292	C	S	.	.	H	α-helix	trans	-70.5	-43.4	177.2	-172.1	-178.1	147.4	0	0	110.5	R141 P142 R147	R141-E144 HydrophobicContact CB-CB 3.87Å; R141-E144 WeakPolarHBondContact CD-OE2 3.34Å; R141-E144 IonicContact CZ-OE2 3.88Å; R141-E144 IonicContact NE-OE2 3.66Å; R141-E144 IonicContact NH1-OE2 3.8Å; R141-E144 PolarHBondContact NH1-OE2 2.86Å; R141-E144 WeakPolarHBondContact O-CB 3.41Å; R141-E144 PolarHBondContact O-N 3.19Å; P142-E144 VanDerWaalsContact C-N 3.27Å; P142-E144 PolarHBondContact O-N 3.13Å; E144-R147 PolarHBondContact O-NH2 3.1Å
145	Y	83.9	Confident	80.8	Confident	16 Å²	16	67.6 Å²	67.6	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-96.4	-6.1	-172.4	-57.1	-64.6	0	0	0	114.2	D111 P113 R128 R137 V138 R141 P142	D111-Y145 HydrophobicContact CB-CE1 4.25Å; D111-Y145 VanDerWaalsContact O-CE1 3.24Å; D111-Y145 WeakPolarHBondContact O-CE1 3.3Å; P113-Y145 HydrophobicContact CB-CE1 4.02Å; R128-Y145 PolarHBondContact NE-O 3.24Å; R128-Y145 PolarHBondContact NH2-O 3.25Å; R137-Y145 WeakPolarHBondContact O-CE2 3.3Å; V138-Y145 HydrophobicContact CB-CD2 4.32Å; V138-Y145 HydrophobicContact CG1-CD2 4.2Å; V138-Y145 HydrophobicContact CG1-CG 4.29Å; R141-Y145 HydrophobicContact CB-CD2 4.24Å; R141-Y145 HydrophobicContact CB-CE2 3.96Å; R141-Y145 VanDerWaalsContact O-CD2 3.23Å; R141-Y145 WeakPolarHBondContact O-CD2 2.93Å; R141-Y145 PolarHBondContact O-N 2.83Å; P142-Y145 PolarHBondContact O-N 2.01Å; P142-Y145 VanDerWaalsContact O-N 3.16Å
146	M	71.4	Confident	80.9	Confident	17 Å²	17	67.6 Å²	67.6	8%	0.084	29%	0.291	C	S	.	.	S	Bend	trans	-133.3	24	-176.5	-50	-62.5	158.6	0	0	112.5	R128 V138 P142 R148 T149 I155 L186	R128-M146 HydrophobicContact CB-CE 4.37Å; V138-M146 HydrophobicContact CG1-CE 3.96Å; P142-M146 WeakPolarHBondContact O-CA 3.03Å; P142-M146 WeakPolarHBondContact O-CB 3.1Å; P142-M146 VanDerWaalsContact O-CG 3.25Å; P142-M146 WeakPolarHBondContact O-CG 3.48Å; P142-M146 PolarHBondContact O-N 2.84Å; M146-R148 PolarHBondContact O-N 3.42Å; M146-T149 HydrophobicContact CB-CG2 3.74Å; M146-T149 VanDerWaalsContact O-CG2 3.28Å; M146-T149 WeakPolarHBondContact O-CG2 3.4Å; M146-T149 HydrophobicContact SD-CG2 4.42Å; M146-I155 HydrophobicContact CE-CD1 3.19Å; M146-I155 HydrophobicContact CE-CG1 3.63Å; M146-I155 HydrophobicContact CG-CD1 4.49Å; M146-I155 HydrophobicContact SD-CD1 3.75Å; M146-I155 HydrophobicContact SD-CG1 4.06Å; M146-L186 HydrophobicContact CB-CD1 4.31Å; M146-L186 HydrophobicContact CG-CD1 4.04Å; M146-L186 HydrophobicContact SD-CD1 4.47Å
147	R	61.5	Low	81	Confident	93 Å²	93	63 Å²	63	35%	0.351	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-32	-169.6	-146.8	179.2	-44.2	114.8	27.5	115.3	T114 E118 N123 N143 E144	T114-R147 PolarHBondContact OG1-NH1 3.29Å; T114-R147 PolarHBondContact OG1-NH2 3.32Å; E118-R147 IonicContact OE1-NH1 3.34Å; E118-R147 PolarHBondContact OE1-NH1 3.02Å; N123-R147 PolarHBondContact OD1-NH1 3.17Å; N143-R147 VanDerWaalsContact O-CA 3.27Å; N143-R147 WeakPolarHBondContact O-CA 3.43Å; N143-R147 WeakPolarHBondContact O-CB 3.28Å; N143-R147 VanDerWaalsContact O-CG 3.3Å; N143-R147 WeakPolarHBondContact O-CG 3.34Å; N143-R147 PolarHBondContact O-N 3.15Å; E144-R147 PolarHBondContact O-NH2 3.1Å
148	R	64.6	Low	81.1	Confident	159 Å²	159	58.7 Å²	58.7	60%	0.6	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	85	173	-84.1	-172	174.4	175.9	-1.6	108.8	T125 M146	T125-R148 PolarHBondContact N-O 3.21Å; M146-R148 PolarHBondContact O-N 3.42Å
149	T	60.6	Low	81.1	Confident	39 Å²	39	58.8 Å²	58.8	24%	0.239	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-93.6	128.9	174	49.1	0	0	0	0	109	M146 S153 L186	M146-T149 HydrophobicContact CB-CG2 3.74Å; M146-T149 VanDerWaalsContact O-CG2 3.28Å; M146-T149 WeakPolarHBondContact O-CG2 3.4Å; M146-T149 HydrophobicContact SD-CG2 4.42Å; T149-S153 VanDerWaalsContact CA-OG 3.26Å; T149-S153 WeakPolarHBondContact CA-OG 3.28Å; T149-S153 WeakPolarHBondContact CB-OG 3.15Å; T149-L186 HydrophobicContact CG2-CD2 3.7Å
150	D	62.4	Low	81	Confident	56 Å²	56	59.7 Å²	59.7	30%	0.299	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-57.6	155.3	161.7	-62	-48.9	0	0	0	109.2	R124 T126 N152 S153	R124-D150 VanDerWaalsContact CD-OD1 3.29Å; R124-D150 WeakPolarHBondContact CD-OD1 3.43Å; R124-D150 WeakPolarHBondContact CD-OD2 3.32Å; R124-D150 IonicContact NE-OD1 3.89Å; R124-D150 IonicContact NE-OD2 3.06Å; R124-D150 PolarHBondContact NE-OD2 2.81Å; T126-D150 PolarHBondContact OG1-OD2 3.41Å; D150-N152 PolarHBondContact O-N 2.7Å; D150-N152 VanDerWaalsContact O-N 3.15Å; D150-S153 PolarHBondContact N-OG 2.98Å; D150-S153 VanDerWaalsContact N-OG 3.07Å; D150-S153 PolarHBondContact O-N 3.21Å; D150-S153 VanDerWaalsContact O-N 3.09Å; D150-S153 PolarHBondContact O-OG 2.84Å
151	Y	59.7	Low	80.7	Confident	225 Å²	225	54.9 Å²	54.9	88%	0.882	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	125.5	165.5	-97.2	-87.6	0	0	0	108.3
152	N	70.1	Confident	80.7	Confident	111 Å²	111	52.5 Å²	52.5	59%	0.594	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	27.2	-178.6	-49.9	-42	0	0	0	117.3	D150 T154	D150-N152 PolarHBondContact O-N 2.7Å; D150-N152 VanDerWaalsContact O-N 3.15Å; N152-T154 PolarHBondContact O-N 3.45Å; N152-T154 PolarHBondContact O-OG1 3.39Å
153	S	90	Very high	81	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.021	27%	0.267	C	S	.	.			trans	-54.9	141.4	171.7	-65.6	0	0	0	0	112.4	T125 T126 T149 D150 L186 S187	T125-S153 PolarHBondContact O-OG 3.48Å; T126-S153 CarbonylContact O-C 3.49Å; T126-S153 WeakPolarHBondContact O-CA 3.17Å; T149-S153 VanDerWaalsContact CA-OG 3.26Å; T149-S153 WeakPolarHBondContact CA-OG 3.28Å; T149-S153 WeakPolarHBondContact CB-OG 3.15Å; D150-S153 PolarHBondContact N-OG 2.98Å; D150-S153 VanDerWaalsContact N-OG 3.07Å; D150-S153 PolarHBondContact O-N 3.21Å; D150-S153 VanDerWaalsContact O-N 3.09Å; D150-S153 PolarHBondContact O-OG 2.84Å; S153-L186 WeakPolarHBondContact O-CA 3.41Å; S153-S187 PolarHBondContact O-N 3.26Å
154	T	93.3	Very high	81.4	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142	-167.3	-66.5	0	0	0	0	111.9	M75 T126 L127 R128 N152 I156 S187 F189	M75-T154 HydrophobicContact CE-CG2 4.12Å; M75-T154 HydrophobicContact SD-CG2 3.74Å; T126-T154 PolarHBondContact O-N 3.18Å; L127-T154 CarbonylContact C-O 3.57Å; L127-T154 VanDerWaalsContact CA-O 3.32Å; L127-T154 WeakPolarHBondContact CA-O 3.4Å; L127-T154 HydrophobicContact CD1-CG2 3.82Å; R128-T154 PolarHBondContact N-O 3.31Å; N152-T154 PolarHBondContact O-N 3.45Å; N152-T154 PolarHBondContact O-OG1 3.39Å; T154-I156 HydrophobicContact CG2-CG1 4.1Å; T154-S187 CarbonylContact C-O 3.48Å; T154-S187 WeakPolarHBondContact CA-O 3.19Å; T154-F189 HydrophobicContact CG2-CD2 3.64Å; T154-F189 HydrophobicContact CG2-CE2 3.82Å
155	I	94.8	Very high	81.4	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.3	175	-48.5	168.6	0	0	0	108.9	R128 V130 M139 M146 F157 L186 S187 F188 F189	R128-I155 CarbonylContact O-C 3.57Å; R128-I155 VanDerWaalsContact O-CA 3.31Å; R128-I155 WeakPolarHBondContact O-CA 3.36Å; V130-I155 HydrophobicContact CG2-CG2 3.78Å; M139-I155 HydrophobicContact CE-CD1 4.13Å; M146-I155 HydrophobicContact CE-CD1 3.19Å; M146-I155 HydrophobicContact CE-CG1 3.63Å; M146-I155 HydrophobicContact CG-CD1 4.49Å; M146-I155 HydrophobicContact SD-CD1 3.75Å; M146-I155 HydrophobicContact SD-CG1 4.06Å; I155-F157 HydrophobicContact CB-CE2 4.02Å; I155-F157 HydrophobicContact CB-CZ 4.14Å; I155-F157 HydrophobicContact CG2-CD2 4.35Å; I155-F157 HydrophobicContact CG2-CE1 3.89Å; I155-F157 HydrophobicContact CG2-CE2 3.59Å; I155-F157 HydrophobicContact CG2-CZ 3.36Å; I155-L186 HydrophobicContact CD1-CD1 4.33Å; I155-S187 PolarHBondContact N-O 2.6Å; I155-F188 HydrophobicContact CD1-CD1 4.07Å; I155-F188 HydrophobicContact CD1-CE1 3.59Å; I155-F188 HydrophobicContact CD1-CZ 3.91Å; I155-F189 PolarHBondContact O-N 3.4Å
156	I	96.6	Very high	81.2	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.6	179.3	-59.3	176.1	0	0	0	109.2	Y66 M75 L127 R128 V129 V130 T154 F189 I191 I227	Y66-I156 HydrophobicContact CD1-CD1 4.05Å; Y66-I156 HydrophobicContact CD1-CG2 4.02Å; Y66-I156 HydrophobicContact CE1-CD1 3.93Å; Y66-I156 HydrophobicContact CE1-CG2 4.13Å; M75-I156 HydrophobicContact CE-CD1 3.92Å; L127-I156 HydrophobicContact CD1-CD1 3.72Å; L127-I156 HydrophobicContact CD1-CG1 3.84Å; R128-I156 PolarHBondContact O-N 2.66Å; V129-I156 CarbonylContact C-O 3.58Å; V129-I156 WeakPolarHBondContact CA-O 3.5Å; V130-I156 PolarHBondContact N-O 3.08Å; T154-I156 HydrophobicContact CG2-CG1 4.1Å; I156-F189 CarbonylContact C-O 3.53Å; I156-F189 WeakPolarHBondContact CA-O 3.29Å; I156-F189 HydrophobicContact CG1-CB 4.37Å; I156-I191 HydrophobicContact CG2-CD1 3.9Å; I156-I191 HydrophobicContact CG2-CG1 3.54Å; I156-I227 HydrophobicContact CD1-CD1 4.4Å; I156-I227 HydrophobicContact CD1-CG2 4.24Å; I156-I227 HydrophobicContact CG2-CD1 4.48Å
157	F	96.9	Very high	81.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.1	178.6	-58.4	-83.9	0	0	0	111.4	V130 V135 M139 I155 I164 I176 F188 F189 S190 I191	V130-F157 HydrophobicContact CB-CD1 3.75Å; V130-F157 HydrophobicContact CB-CE1 3.93Å; V130-F157 HydrophobicContact CG1-CD1 3.93Å; V130-F157 HydrophobicContact CG1-CE1 3.98Å; V130-F157 HydrophobicContact CG2-CE1 4.31Å; V130-F157 WeakPolarHBondContact O-CA 3.41Å; V135-F157 HydrophobicContact CG2-CD1 3.72Å; V135-F157 HydrophobicContact CG2-CE1 4.14Å; M139-F157 HydrophobicContact CE-CE1 4.12Å; M139-F157 HydrophobicContact CE-CZ 3.79Å; M139-F157 HydrophobicContact CG-CE1 4.45Å; M139-F157 HydrophobicContact SD-CE1 4.23Å; M139-F157 HydrophobicContact SD-CZ 3.8Å; I155-F157 HydrophobicContact CB-CE2 4.02Å; I155-F157 HydrophobicContact CB-CZ 4.14Å; I155-F157 HydrophobicContact CG2-CD2 4.35Å; I155-F157 HydrophobicContact CG2-CE1 3.89Å; I155-F157 HydrophobicContact CG2-CE2 3.59Å; I155-F157 HydrophobicContact CG2-CZ 3.36Å; F157-I164 HydrophobicContact CB-CG2 3.67Å; F157-I176 HydrophobicContact CB-CD1 4.28Å; F157-I176 HydrophobicContact CD1-CD1 3.75Å; F157-I176 HydrophobicContact CD1-CG1 4.25Å; F157-I176 HydrophobicContact CD2-CD1 4.12Å; F157-I176 HydrophobicContact CD2-CG2 3.78Å; F157-I176 HydrophobicContact CE1-CD1 4.06Å; F157-I176 HydrophobicContact CE1-CG1 4.03Å; F157-I176 HydrophobicContact CE1-CG2 4.41Å; F157-I176 HydrophobicContact CE2-CD1 4.47Å; F157-I176 HydrophobicContact CE2-CG1 4.42Å; F157-I176 HydrophobicContact CE2-CG2 3.39Å; F157-I176 HydrophobicContact CG-CD1 3.76Å; F157-I176 HydrophobicContact CG-CG1 4.48Å; F157-I176 HydrophobicContact CG-CG2 4.49Å; F157-I176 HydrophobicContact CZ-CD1 4.41Å; F157-I176 HydrophobicContact CZ-CG1 4.12Å; F157-I176 HydrophobicContact CZ-CG2 3.71Å; F157-F188 HydrophobicContact CE2-CB 4.2Å; F157-F188 AromaticContact CE2-CD1 3.64Å; F157-F188 HydrophobicContact CE2-CD1 3.64Å; F157-F188 HydrophobicContact CE2-CG 4.36Å; F157-F188 AromaticContact CZ-CD1 3.9Å; F157-F188 HydrophobicContact CZ-CD1 3.9Å; F157-F188 HydrophobicContact CZ-CE1 4.41Å; F157-F189 VanDerWaalsContact CD2-O 3.3Å; F157-F189 WeakPolarHBondContact CD2-O 3.29Å; F157-F189 PolarHBondContact N-O 2.9Å; F157-S190 WeakPolarHBondContact O-CA 3.29Å; F157-I191 PolarHBondContact O-N 3.44Å
158	W	96.1	Very high	82.2	Confident	10 Å²	10	61.2 Å²	61.2	4%	0.038	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.8	174.4	77	-89.8	0	0	0	111.4	V130 A131 H132 I191 M196 L218 T220 F223	V130-W158 PolarHBondContact O-N 2.82Å; A131-W158 CarbonylContact C-O 3.6Å; A131-W158 WeakPolarHBondContact CA-O 3.42Å; A131-W158 HydrophobicContact CB-CD2 4.39Å; A131-W158 HydrophobicContact CB-CH2 4.42Å; A131-W158 HydrophobicContact CB-CZ2 3.54Å; H132-W158 PolarHBondContact N-O 2.96Å; W158-I191 HydrophobicContact CB-CB 4.49Å; W158-I191 HydrophobicContact CB-CD1 3.65Å; W158-I191 HydrophobicContact CB-CG1 4.14Å; W158-M196 HydrophobicContact CB-SD 4.28Å; W158-M196 HydrophobicContact CE3-CE 4.06Å; W158-L218 VanDerWaalsContact CH2-O 3.3Å; W158-L218 WeakPolarHBondContact CH2-O 3.41Å; W158-T220 WeakPolarHBondContact CZ2-OG1 3.33Å; W158-T220 PolarHBondContact NE1-OG1 3.18Å; W158-F223 AromaticContact CD2-CD2 3.6Å; W158-F223 HydrophobicContact CD2-CD2 3.6Å; W158-F223 AromaticContact CD2-CE2 3.48Å; W158-F223 HydrophobicContact CD2-CE2 3.48Å; W158-F223 VanDerWaalsContact CD2-CE2 3.48Å; W158-F223 HydrophobicContact CD2-CG 4.28Å; W158-F223 HydrophobicContact CD2-CZ 4.04Å; W158-F223 AromaticContact CE2-CD2 3.51Å; W158-F223 AromaticContact CE2-CE2 3.66Å; W158-F223 AromaticContact CE3-CD2 3.97Å; W158-F223 HydrophobicContact CE3-CD2 3.97Å; W158-F223 HydrophobicContact CE3-CE1 4.47Å; W158-F223 AromaticContact CE3-CE2 3.32Å; W158-F223 HydrophobicContact CE3-CE2 3.32Å; W158-F223 AromaticContact CE3-CZ 3.63Å; W158-F223 HydrophobicContact CE3-CZ 3.63Å; W158-F223 HydrophobicContact CG-CD2 4.05Å; W158-F223 HydrophobicContact CG-CE2 4.27Å; W158-F223 HydrophobicContact CG-CG 4.29Å; W158-F223 HydrophobicContact CH2-CD2 4.17Å; W158-F223 AromaticContact CH2-CE2 3.58Å; W158-F223 HydrophobicContact CH2-CE2 3.58Å; W158-F223 HydrophobicContact CH2-CZ 4.5Å; W158-F223 AromaticContact CZ2-CD2 3.82Å; W158-F223 HydrophobicContact CZ2-CD2 3.82Å; W158-F223 AromaticContact CZ2-CE2 3.72Å; W158-F223 HydrophobicContact CZ2-CE2 3.72Å; W158-F223 HydrophobicContact CZ3-CD2 4.24Å; W158-F223 AromaticContact CZ3-CE2 3.38Å; W158-F223 HydrophobicContact CZ3-CE2 3.38Å; W158-F223 AromaticContact CZ3-CZ 3.89Å; W158-F223 HydrophobicContact CZ3-CZ 3.89Å; W158-F223 AromaticContact NE1-CD2 3.88Å
159	G	92.9	Very high	82.7	Confident	2 Å²	2	60.5 Å²	60.5	2%	0.021	30%	0.3	C	S	.	.			trans	154.7	-168.4	176.1	0	0	0	0	0	112.6
160	P	88.3	Confident	83.7	Confident	22 Å²	22	59.3 Å²	59.3	14%	0.143	30%	0.295	C	S	.	.			trans	-58.5	143.8	-176.4	-27.3	35.8	0	0	0	113.3	H132 N162 K163 I164 W217	H132-P160 VanDerWaalsContact CG-CD 3.49Å; H132-P160 VanDerWaalsContact ND1-CD 3.35Å; H132-P160 WeakPolarHBondContact ND1-CD 3.45Å; P160-N162 VanDerWaalsContact C-N 3.27Å; P160-N162 VanDerWaalsContact CB-OD1 3.26Å; P160-N162 WeakPolarHBondContact CB-OD1 3.27Å; P160-N162 PolarHBondContact O-N 3Å; P160-K163 HydrophobicContact CB-CG 4.22Å; P160-K163 PolarHBondContact O-N 3.2Å; P160-I164 PolarHBondContact O-N 3.36Å; P160-W217 HydrophobicContact CG-CH2 4.16Å; P160-W217 HydrophobicContact CG-CZ3 4.47Å
161	P	83.2	Confident	84.9	Confident	68 Å²	68	62.4 Å²	62.4	44%	0.442	32%	0.316	S	S	.	.	H	α-helix	trans	-40.9	-52.5	176.8	-28	21.2	0	0	0	115.3	K163 W165 A168	P161-K163 PolarHBondContact O-N 2.7Å; P161-K163 VanDerWaalsContact O-N 3.13Å; P161-W165 VanDerWaalsContact CA-CD2 3.43Å; P161-W165 VanDerWaalsContact CA-CZ3 3.46Å; P161-W165 HydrophobicContact CB-CD2 4.03Å; P161-W165 HydrophobicContact CB-CE3 3.29Å; P161-W165 HydrophobicContact CB-CH2 3.65Å; P161-W165 HydrophobicContact CB-CZ2 4.33Å; P161-W165 HydrophobicContact CB-CZ3 3.08Å; P161-W165 HydrophobicContact CG-CE3 3.99Å; P161-W165 HydrophobicContact CG-CH2 3.31Å; P161-W165 HydrophobicContact CG-CZ2 4.09Å; P161-W165 HydrophobicContact CG-CZ3 3.26Å; P161-W165 WeakPolarHBondContact O-CB 3.35Å; P161-W165 PolarHBondContact O-N 2.93Å; P161-A168 WeakPolarHBondContact O-CB 3.09Å
162	N	85.9	Confident	86.5	Confident	101 Å²	101	53.2 Å²	53.2	54%	0.54	28%	0.282	S	S	.	.	H	α-helix	trans	-71.7	-5.4	-173.7	62.4	-21.8	0	0	0	113.7	P160	P160-N162 VanDerWaalsContact C-N 3.27Å; P160-N162 VanDerWaalsContact CB-OD1 3.26Å; P160-N162 WeakPolarHBondContact CB-OD1 3.27Å; P160-N162 PolarHBondContact O-N 3Å
163	K	86.9	Confident	87.5	Confident	98 Å²	98	48.2 Å²	48.2	43%	0.426	26%	0.255	S	S	.	.	H	α-helix	trans	-109.9	-45.9	-177.8	-63.9	-63.6	-177.3	-180	0	112.3	H132 P160 P161 L172 F173	H132-K163 HydrophobicContact CB-CB 4.45Å; P160-K163 HydrophobicContact CB-CG 4.22Å; P160-K163 PolarHBondContact O-N 3.2Å; P161-K163 PolarHBondContact O-N 2.7Å; P161-K163 VanDerWaalsContact O-N 3.13Å; K163-L172 HydrophobicContact CB-CD1 4.27Å; K163-L172 WeakPolarHBondContact O-CB 3.35Å; K163-F173 PolarHBondContact O-N 3.49Å
164	I	87.9	Confident	87.6	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-109.1	-15.3	-165.5	-59.7	-60.8	0	0	0	113.6	H132 V135 F157 P160 L172 F173 I176	H132-I164 HydrophobicContact CB-CD1 3.62Å; H132-I164 HydrophobicContact CB-CG1 3.6Å; V135-I164 HydrophobicContact CG2-CD1 3.8Å; F157-I164 HydrophobicContact CB-CG2 3.67Å; P160-I164 PolarHBondContact O-N 3.36Å; I164-L172 HydrophobicContact CD1-CB 4.26Å; I164-L172 HydrophobicContact CD1-CD1 4.31Å; I164-F173 VanDerWaalsContact O-CD2 3.28Å; I164-F173 WeakPolarHBondContact O-CD2 3.2Å; I164-I176 HydrophobicContact CD1-CD1 4.07Å
165	W	82.8	Confident	87.6	Confident	46 Å²	46	56.6 Å²	56.6	17%	0.174	29%	0.288	C	S	.	.	S	Bend	trans	-93.6	151.9	-175.5	-57.4	-21.1	0	0	0	113.2	P161 D167 A168 I191 P193 M196	P161-W165 VanDerWaalsContact CA-CD2 3.43Å; P161-W165 VanDerWaalsContact CA-CZ3 3.46Å; P161-W165 HydrophobicContact CB-CD2 4.03Å; P161-W165 HydrophobicContact CB-CE3 3.29Å; P161-W165 HydrophobicContact CB-CH2 3.65Å; P161-W165 HydrophobicContact CB-CZ2 4.33Å; P161-W165 HydrophobicContact CB-CZ3 3.08Å; P161-W165 HydrophobicContact CG-CE3 3.99Å; P161-W165 HydrophobicContact CG-CH2 3.31Å; P161-W165 HydrophobicContact CG-CZ2 4.09Å; P161-W165 HydrophobicContact CG-CZ3 3.26Å; P161-W165 WeakPolarHBondContact O-CB 3.35Å; P161-W165 PolarHBondContact O-N 2.93Å; W165-D167 PolarHBondContact O-N 3Å; W165-A168 WeakPolarHBondContact O-CB 3.18Å; W165-A168 PolarHBondContact O-N 3.35Å; W165-I191 PolarHBondContact NE1-O 3.04Å; W165-P193 HydrophobicContact CD2-CG 4.09Å; W165-P193 HydrophobicContact CE3-CB 4.44Å; W165-P193 HydrophobicContact CE3-CG 3.71Å; W165-P193 HydrophobicContact CH2-CB 3.36Å; W165-P193 HydrophobicContact CH2-CG 3.53Å; W165-P193 HydrophobicContact CZ2-CB 3.9Å; W165-P193 HydrophobicContact CZ2-CG 3.9Å; W165-P193 HydrophobicContact CZ3-CB 3.66Å; W165-P193 HydrophobicContact CZ3-CG 3.4Å; W165-M196 HydrophobicContact CZ2-CG 4.34Å
166	K	79.3	Confident	87.5	Confident	137 Å²	137	56.6 Å²	56.6	60%	0.596	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-45.7	-177	-175.5	175.2	-179.7	-176.4	0	112.5	A168 K169 F173	K166-A168 PolarHBondContact O-N 3.12Å; K166-K169 PolarHBondContact O-N 3.18Å; K166-F173 VanDerWaalsContact CA-CE2 3.47Å; K166-F173 VanDerWaalsContact CA-CZ 3.42Å; K166-F173 HydrophobicContact CB-CE1 4.04Å; K166-F173 HydrophobicContact CB-CE2 3.71Å; K166-F173 HydrophobicContact CB-CZ 3.46Å; K166-F173 VanDerWaalsContact CB-CZ 3.46Å; K166-F173 HydrophobicContact CD-CZ 4.3Å; K166-F173 HydrophobicContact CG-CE1 3.87Å; K166-F173 HydrophobicContact CG-CE2 4.31Å; K166-F173 HydrophobicContact CG-CZ 3.54Å
167	D	78.5	Confident	87.3	Confident	151 Å²	151	59.5 Å²	59.5	81%	0.807	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-28	-175.1	-54.6	-28.4	0	0	0	112.3	W165 K169	W165-D167 PolarHBondContact O-N 3Å; D167-K169 PolarHBondContact O-N 2.82Å
168	A	74.6	Confident	87.1	Confident	46 Å²	46	67.6 Å²	67.6	38%	0.38	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.6	176.6	0	0	0	0	0	113.3	P161 W165 K166 G170	P161-A168 WeakPolarHBondContact O-CB 3.09Å; W165-A168 WeakPolarHBondContact O-CB 3.18Å; W165-A168 PolarHBondContact O-N 3.35Å; K166-A168 PolarHBondContact O-N 3.12Å; A168-G170 PolarHBondContact O-N 2.95Å
169	K	74.9	Confident	86.8	Confident	145 Å²	145	68.4 Å²	68.4	63%	0.63	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.6	33.5	-172.8	-63.2	-177.6	179.1	176.6	0	112.9	K166 D167 R174	K166-K169 PolarHBondContact O-N 3.18Å; D167-K169 PolarHBondContact O-N 2.82Å; K169-R174 VanDerWaalsContact O-CZ 3.25Å; K169-R174 PolarHBondContact O-NE 2.83Å; K169-R174 PolarHBondContact O-NH2 2.83Å
170	G	81.8	Confident	86.7	Confident	14 Å²	14	68.5 Å²	68.5	14%	0.144	34%	0.338	C	S	.	.			trans	-68.3	160	-176.5	0	0	0	0	0	112	A168 L172 F173 R174	A168-G170 PolarHBondContact O-N 2.95Å; G170-L172 PolarHBondContact O-N 3.18Å; G170-F173 PolarHBondContact O-N 2.81Å; G170-F173 VanDerWaalsContact O-N 3.11Å; G170-R174 PolarHBondContact O-N 2.76Å
171	T	89.4	Confident	86.8	Confident	121 Å²	121	72.1 Å²	72.1	74%	0.742	35%	0.354	S	S	*	.	H	α-helix	trans	-54.6	-38.5	-178.2	-49.4	0	0	0	0	112.7	L175	T171-L175 PolarHBondContact O-N 3.49Å; T171-L175 VanDerWaalsContact O-N 3.11Å
172	L	91.8	Very high	87.1	Confident	32 Å²	32	73.4 Å²	73.4	17%	0.168	36%	0.361	C	S	.	.	H	α-helix	trans	-69.8	-44.7	178	-63.4	-175.2	0	0	0	111.9	H132 V135 K163 I164 G170 R174 L175 I176	H132-L172 HydrophobicContact CB-CD1 4.16Å; H132-L172 VanDerWaalsContact O-CD1 3.32Å; H132-L172 WeakPolarHBondContact O-CD1 3.44Å; V135-L172 HydrophobicContact CB-CD1 4.4Å; V135-L172 HydrophobicContact CB-CD2 4.25Å; V135-L172 HydrophobicContact CG1-CB 4.25Å; V135-L172 HydrophobicContact CG1-CD2 4.04Å; K163-L172 HydrophobicContact CB-CD1 4.27Å; K163-L172 WeakPolarHBondContact O-CB 3.35Å; I164-L172 HydrophobicContact CD1-CB 4.26Å; I164-L172 HydrophobicContact CD1-CD1 4.31Å; G170-L172 PolarHBondContact O-N 3.18Å; L172-R174 PolarHBondContact O-N 2.89Å; L172-L175 WeakPolarHBondContact O-CB 3.42Å; L172-L175 PolarHBondContact O-N 3.41Å; L172-I176 VanDerWaalsContact O-CG1 3.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 3.38Å
173	F	91.9	Very high	87.1	Confident	5 Å²	5	71.5 Å²	71.5	2%	0.022	35%	0.346	C	S	.	.	H	α-helix	trans	-57.4	-46.7	174.8	-178.9	-95.2	0	0	0	112	V69 K163 I164 K166 G170 L175 I176 Q177	V69-F173 HydrophobicContact CB-CE2 4.45Å; V69-F173 HydrophobicContact CG1-CD2 4.38Å; V69-F173 HydrophobicContact CG1-CE2 3.72Å; V69-F173 HydrophobicContact CG1-CZ 4.02Å; V69-F173 HydrophobicContact CG2-CE2 4.44Å; K163-F173 PolarHBondContact O-N 3.49Å; I164-F173 VanDerWaalsContact O-CD2 3.28Å; I164-F173 WeakPolarHBondContact O-CD2 3.2Å; K166-F173 VanDerWaalsContact CA-CE2 3.47Å; K166-F173 VanDerWaalsContact CA-CZ 3.42Å; K166-F173 HydrophobicContact CB-CE1 4.04Å; K166-F173 HydrophobicContact CB-CE2 3.71Å; K166-F173 HydrophobicContact CB-CZ 3.46Å; K166-F173 VanDerWaalsContact CB-CZ 3.46Å; K166-F173 HydrophobicContact CD-CZ 4.3Å; K166-F173 HydrophobicContact CG-CE1 3.87Å; K166-F173 HydrophobicContact CG-CE2 4.31Å; K166-F173 HydrophobicContact CG-CZ 3.54Å; G170-F173 PolarHBondContact O-N 2.81Å; G170-F173 VanDerWaalsContact O-N 3.11Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 3.41Å; F173-I176 PolarHBondContact O-N 3.35Å; F173-Q177 HydrophobicContact CE1-CB 4.33Å; F173-Q177 WeakPolarHBondContact O-CB 3.37Å; F173-Q177 PolarHBondContact O-N 3.18Å
174	R	92.1	Very high	86.9	Confident	150 Å²	150	71.2 Å²	71.2	57%	0.566	36%	0.357	S	S	*	.	H	α-helix	trans	-60.7	-38.7	177.7	-64.9	-176.5	-153.1	171.8	5.5	112.3	K169 G170 L172 R178	K169-R174 VanDerWaalsContact O-CZ 3.25Å; K169-R174 PolarHBondContact O-NE 2.83Å; K169-R174 PolarHBondContact O-NH2 2.83Å; G170-R174 PolarHBondContact O-N 2.76Å; L172-R174 PolarHBondContact O-N 2.89Å; R174-R178 WeakPolarHBondContact O-CB 3.46Å; R174-R178 PolarHBondContact O-N 2.92Å
175	L	92.6	Very high	86.7	Confident	38 Å²	38	74.9 Å²	74.9	20%	0.199	38%	0.377	C	S	.	.	H	α-helix	trans	-63.2	-50	175	175.3	61.2	0	0	0	111.1	V135 F136 M139 T171 L172 F173 Q177 R178 I179	V135-L175 HydrophobicContact CG1-CD2 4.43Å; F136-L175 HydrophobicContact CD2-CD2 4.39Å; M139-L175 HydrophobicContact CB-CD2 4.01Å; M139-L175 HydrophobicContact CB-CG 4.03Å; T171-L175 PolarHBondContact O-N 3.49Å; T171-L175 VanDerWaalsContact O-N 3.11Å; L172-L175 WeakPolarHBondContact O-CB 3.42Å; L172-L175 PolarHBondContact O-N 3.41Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 3.41Å; L175-Q177 VanDerWaalsContact C-N 3.3Å; L175-Q177 PolarHBondContact O-N 3.02Å; L175-R178 PolarHBondContact O-N 2.73Å; L175-I179 HydrophobicContact CD1-CG1 4.18Å; L175-I179 WeakPolarHBondContact O-CG1 3.37Å; L175-I179 PolarHBondContact O-N 3.04Å
176	I	93	Very high	87	Confident	1 Å²	1	73 Å²	73	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-59.8	-44.6	178.9	-60.9	160.8	0	0	0	110	V69 V135 M139 F157 I164 L172 F173 R178 I179 G180 F188	V69-I176 HydrophobicContact CB-CG2 4.33Å; V69-I176 HydrophobicContact CG1-CB 4.36Å; V69-I176 HydrophobicContact CG1-CG2 3.83Å; V69-I176 HydrophobicContact CG2-CG2 4.12Å; V135-I176 HydrophobicContact CG1-CD1 3.88Å; V135-I176 HydrophobicContact CG1-CG1 3.64Å; V135-I176 HydrophobicContact CG2-CD1 4.07Å; M139-I176 HydrophobicContact CG-CG1 4.3Å; F157-I176 HydrophobicContact CB-CD1 4.28Å; F157-I176 HydrophobicContact CD1-CD1 3.75Å; F157-I176 HydrophobicContact CD1-CG1 4.25Å; F157-I176 HydrophobicContact CD2-CD1 4.12Å; F157-I176 HydrophobicContact CD2-CG2 3.78Å; F157-I176 HydrophobicContact CE1-CD1 4.06Å; F157-I176 HydrophobicContact CE1-CG1 4.03Å; F157-I176 HydrophobicContact CE1-CG2 4.41Å; F157-I176 HydrophobicContact CE2-CD1 4.47Å; F157-I176 HydrophobicContact CE2-CG1 4.42Å; F157-I176 HydrophobicContact CE2-CG2 3.39Å; F157-I176 HydrophobicContact CG-CD1 3.76Å; F157-I176 HydrophobicContact CG-CG1 4.48Å; F157-I176 HydrophobicContact CG-CG2 4.49Å; F157-I176 HydrophobicContact CZ-CD1 4.41Å; F157-I176 HydrophobicContact CZ-CG1 4.12Å; F157-I176 HydrophobicContact CZ-CG2 3.71Å; I164-I176 HydrophobicContact CD1-CD1 4.07Å; L172-I176 VanDerWaalsContact O-CG1 3.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 3.38Å; F173-I176 PolarHBondContact O-N 3.35Å; I176-R178 PolarHBondContact O-N 3.23Å; I176-I179 PolarHBondContact O-N 2.59Å; I176-G180 PolarHBondContact O-N 3.21Å; I176-F188 HydrophobicContact CG2-CB 4.46Å; I176-F188 HydrophobicContact CG2-CD1 3.93Å
177	Q	92.5	Very high	87.6	Confident	62 Å²	62	67.1 Å²	67.1	29%	0.29	35%	0.346	S	S	.	.	H	α-helix	trans	-61.6	-45.3	178.7	-168.9	-178.9	16.5	0	0	111.8	V69 F173 L175 I179 G180 M181	V69-Q177 HydrophobicContact CG1-CB 4.07Å; F173-Q177 HydrophobicContact CE1-CB 4.33Å; F173-Q177 WeakPolarHBondContact O-CB 3.37Å; F173-Q177 PolarHBondContact O-N 3.18Å; L175-Q177 VanDerWaalsContact C-N 3.3Å; L175-Q177 PolarHBondContact O-N 3.02Å; Q177-I179 PolarHBondContact O-N 3.48Å; Q177-G180 PolarHBondContact O-N 3.01Å; Q177-M181 HydrophobicContact CG-CE 4.49Å; Q177-M181 WeakPolarHBondContact O-CG 3.25Å; Q177-M181 PolarHBondContact O-N 2.94Å
178	R	92.3	Very high	88.3	Confident	170 Å²	170	60.4 Å²	60.4	64%	0.642	31%	0.309	S	S	*	.	H	α-helix	trans	-59.2	-46.2	177.3	-175.4	-178.9	-67.1	169	-3.2	112.2	R174 L175 I176 M181 T182	R174-R178 WeakPolarHBondContact O-CB 3.46Å; R174-R178 PolarHBondContact O-N 2.92Å; L175-R178 PolarHBondContact O-N 2.73Å; I176-R178 PolarHBondContact O-N 3.23Å; R178-M181 HydrophobicContact CB-CE 4.49Å; R178-M181 PolarHBondContact O-N 3.1Å; R178-T182 PolarHBondContact O-N 3.39Å; R178-T182 PolarHBondContact O-OG1 3.09Å
179	I	90.8	Very high	89.3	Confident	27 Å²	27	58.3 Å²	58.3	14%	0.138	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-42	177.5	-62.4	-59.3	0	0	0	110.5	M139 L175 I176 Q177 M181 T182 Y183 F188	M139-I179 HydrophobicContact CB-CG1 4.29Å; M139-I179 HydrophobicContact SD-CB 4.21Å; M139-I179 HydrophobicContact SD-CG2 4Å; L175-I179 HydrophobicContact CD1-CG1 4.18Å; L175-I179 WeakPolarHBondContact O-CG1 3.37Å; L175-I179 PolarHBondContact O-N 3.04Å; I176-I179 PolarHBondContact O-N 2.59Å; Q177-I179 PolarHBondContact O-N 3.48Å; I179-M181 VanDerWaalsContact C-N 3.25Å; I179-M181 PolarHBondContact O-N 2.89Å; I179-T182 WeakPolarHBondContact O-CA 3.35Å; I179-T182 WeakPolarHBondContact O-CB 3.35Å; I179-T182 PolarHBondContact O-N 3.49Å; I179-Y183 HydrophobicContact CG2-CD2 3.7Å; I179-Y183 HydrophobicContact CG2-CE2 4.06Å; I179-Y183 WeakPolarHBondContact O-CD2 3.47Å; I179-Y183 PolarHBondContact O-N 3.25Å; I179-F188 HydrophobicContact CG2-CE1 4.13Å; I179-F188 HydrophobicContact CG2-CZ 4.07Å
180	G	90	Very high	90.3	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-30.2	177.2	0	0	0	0	0	114.2	I176 Q177 T182	I176-G180 PolarHBondContact O-N 3.21Å; Q177-G180 PolarHBondContact O-N 3.01Å; G180-T182 VanDerWaalsContact C-N 3.33Å
181	M	90.4	Very high	90.9	Very high	98 Å²	98	51 Å²	51	48%	0.483	26%	0.257	S	S	.	.	H	α-helix	trans	-71.3	-27.6	171.1	-70.3	-175.3	-63	0	0	113	F70 Q177 R178 I179	F70-M181 HydrophobicContact CD1-CG 4.05Å; F70-M181 HydrophobicContact CD2-CG 3.46Å; F70-M181 VanDerWaalsContact CD2-CG 3.46Å; F70-M181 HydrophobicContact CD2-SD 4.13Å; F70-M181 HydrophobicContact CE1-CG 4.02Å; F70-M181 HydrophobicContact CE2-CG 3.44Å; F70-M181 VanDerWaalsContact CE2-CG 3.44Å; F70-M181 HydrophobicContact CE2-SD 3.89Å; F70-M181 HydrophobicContact CG-CG 3.78Å; F70-M181 HydrophobicContact CZ-CG 3.73Å; Q177-M181 HydrophobicContact CG-CE 4.49Å; Q177-M181 WeakPolarHBondContact O-CG 3.25Å; Q177-M181 PolarHBondContact O-N 2.94Å; R178-M181 HydrophobicContact CB-CE 4.49Å; R178-M181 PolarHBondContact O-N 3.1Å; I179-M181 VanDerWaalsContact C-N 3.25Å; I179-M181 PolarHBondContact O-N 2.89Å
182	T	89.4	Confident	91	Very high	96 Å²	96	45.8 Å²	45.8	59%	0.589	23%	0.225	S	C	*	.	H	α-helix	trans	-83.4	-38.4	-178.9	-51.4	0	0	0	0	111.6	R178 I179 G180	R178-T182 PolarHBondContact O-N 3.39Å; R178-T182 PolarHBondContact O-OG1 3.09Å; I179-T182 WeakPolarHBondContact O-CA 3.35Å; I179-T182 WeakPolarHBondContact O-CB 3.35Å; I179-T182 PolarHBondContact O-N 3.49Å; G180-T182 VanDerWaalsContact C-N 3.33Å
183	Y	86.5	Confident	90.9	Very high	60 Å²	60	46.4 Å²	46.4	24%	0.235	23%	0.231	C	C	.	.			trans	-106.2	74.1	-177	-65.6	-94.8	0	0	0	110.8	P142 I179 N185 L186	P142-Y183 HydrophobicContact CB-CE1 4.32Å; P142-Y183 HydrophobicContact CB-CE2 4.07Å; P142-Y183 HydrophobicContact CG-CE1 4.4Å; P142-Y183 HydrophobicContact CG-CE2 3.79Å; P142-Y183 VanDerWaalsContact CG-OH 3.22Å; P142-Y183 WeakPolarHBondContact CG-OH 3.26Å; I179-Y183 HydrophobicContact CG2-CD2 3.7Å; I179-Y183 HydrophobicContact CG2-CE2 4.06Å; I179-Y183 WeakPolarHBondContact O-CD2 3.47Å; I179-Y183 PolarHBondContact O-N 3.25Å; Y183-N185 VanDerWaalsContact C-N 3.26Å; Y183-N185 PolarHBondContact O-N 3.11Å; Y183-L186 HydrophobicContact CD1-CD1 4.46Å; Y183-L186 HydrophobicContact CG-CD1 4.38Å; Y183-L186 PolarHBondContact O-N 2.59Å; Y183-L186 VanDerWaalsContact O-N 3.12Å
184	S	82.6	Confident	90.8	Very high	92 Å²	92	50.1 Å²	50.1	64%	0.643	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.3	-175.6	59.8	0	0	0	0	114.3	K73 L186	K73-S184 PolarHBondContact NZ-O 2.85Å; S184-L186 PolarHBondContact O-N 3.19Å
185	N	84.4	Confident	90.8	Very high	79 Å²	79	43.1 Å²	43.1	42%	0.422	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.7	173.9	68.2	-50.9	0	0	0	113.3	Y183	Y183-N185 VanDerWaalsContact C-N 3.26Å; Y183-N185 PolarHBondContact O-N 3.11Å
186	L	88.9	Confident	90.8	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	22%	0.22	C	C	.	.	S	Bend	trans	-100.2	151	176.9	-65.6	-178.6	0	0	0	111	K73 M146 T149 S153 I155 Y183 S184 F188	K73-L186 PolarHBondContact NZ-O 2.79Å; M146-L186 HydrophobicContact CB-CD1 4.31Å; M146-L186 HydrophobicContact CG-CD1 4.04Å; M146-L186 HydrophobicContact SD-CD1 4.47Å; T149-L186 HydrophobicContact CG2-CD2 3.7Å; S153-L186 WeakPolarHBondContact O-CA 3.41Å; I155-L186 HydrophobicContact CD1-CD1 4.33Å; Y183-L186 HydrophobicContact CD1-CD1 4.46Å; Y183-L186 HydrophobicContact CG-CD1 4.38Å; Y183-L186 PolarHBondContact O-N 2.59Å; Y183-L186 VanDerWaalsContact O-N 3.12Å; S184-L186 PolarHBondContact O-N 3.19Å; L186-F188 HydrophobicContact CB-CD2 4.13Å; L186-F188 HydrophobicContact CB-CE2 3.4Å; L186-F188 HydrophobicContact CB-CZ 4Å; L186-F188 HydrophobicContact CD1-CE2 4.24Å; L186-F188 HydrophobicContact CD1-CZ 3.98Å; L186-F188 HydrophobicContact CG-CE2 4.46Å
187	S	91.8	Very high	90.7	Very high	13 Å²	13	48.2 Å²	48.2	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122	175.7	-61.7	0	0	0	0	110.1	K73 S153 T154 I155	K73-S187 WeakPolarHBondContact CD-OG 3.29Å; K73-S187 PolarHBondContact NZ-OG 2.85Å; S153-S187 PolarHBondContact O-N 3.26Å; T154-S187 CarbonylContact C-O 3.48Å; T154-S187 WeakPolarHBondContact CA-O 3.19Å; I155-S187 PolarHBondContact N-O 2.6Å
188	F	93.6	Very high	90.7	Very high	10 Å²	10	48.7 Å²	48.7	4%	0.044	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.4	-176.4	-63.9	-112.6	0	0	0	109	V69 M139 I155 F157 I176 I179 L186	V69-F188 HydrophobicContact CB-CB 4.08Å; V69-F188 HydrophobicContact CG2-CB 4.3Å; V69-F188 PolarHBondContact N-O 2.72Å; M139-F188 HydrophobicContact CE-CE1 4.15Å; M139-F188 HydrophobicContact SD-CD1 4.43Å; M139-F188 HydrophobicContact SD-CE1 3.84Å; I155-F188 HydrophobicContact CD1-CD1 4.07Å; I155-F188 HydrophobicContact CD1-CE1 3.59Å; I155-F188 HydrophobicContact CD1-CZ 3.91Å; F157-F188 HydrophobicContact CE2-CB 4.2Å; F157-F188 AromaticContact CE2-CD1 3.64Å; F157-F188 HydrophobicContact CE2-CD1 3.64Å; F157-F188 HydrophobicContact CE2-CG 4.36Å; F157-F188 AromaticContact CZ-CD1 3.9Å; F157-F188 HydrophobicContact CZ-CD1 3.9Å; F157-F188 HydrophobicContact CZ-CE1 4.41Å; I176-F188 HydrophobicContact CG2-CB 4.46Å; I176-F188 HydrophobicContact CG2-CD1 3.93Å; I179-F188 HydrophobicContact CG2-CE1 4.13Å; I179-F188 HydrophobicContact CG2-CZ 4.07Å; L186-F188 HydrophobicContact CB-CD2 4.13Å; L186-F188 HydrophobicContact CB-CE2 3.4Å; L186-F188 HydrophobicContact CB-CZ 4Å; L186-F188 HydrophobicContact CD1-CE2 4.24Å; L186-F188 HydrophobicContact CD1-CZ 3.98Å; L186-F188 HydrophobicContact CG-CE2 4.46Å
189	F	94.9	Very high	90.8	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152	178.6	-61.8	-86.1	0	0	0	111.5	L67 P68 K73 M75 T154 I155 I156 F157	L67-F189 CarbonylContact O-C 3.19Å; L67-F189 VanDerWaalsContact O-CA 3.25Å; L67-F189 WeakPolarHBondContact O-CA 3.35Å; P68-F189 HydrophobicContact CB-CD1 4.24Å; P68-F189 HydrophobicContact CB-CE1 4.11Å; K73-F189 HydrophobicContact CB-CE1 4.39Å; K73-F189 HydrophobicContact CB-CZ 4.13Å; M75-F189 HydrophobicContact CB-CD1 4.27Å; M75-F189 HydrophobicContact CB-CE1 3.98Å; M75-F189 HydrophobicContact CB-CE2 4.23Å; M75-F189 HydrophobicContact CB-CZ 3.95Å; M75-F189 HydrophobicContact SD-CD2 4Å; M75-F189 HydrophobicContact SD-CE2 3.77Å; M75-F189 HydrophobicContact SD-CZ 4.38Å; T154-F189 HydrophobicContact CG2-CD2 3.64Å; T154-F189 HydrophobicContact CG2-CE2 3.82Å; I155-F189 PolarHBondContact O-N 3.4Å; I156-F189 CarbonylContact C-O 3.53Å; I156-F189 WeakPolarHBondContact CA-O 3.29Å; I156-F189 HydrophobicContact CG1-CB 4.37Å; F157-F189 VanDerWaalsContact CD2-O 3.3Å; F157-F189 WeakPolarHBondContact CD2-O 3.29Å; F157-F189 PolarHBondContact N-O 2.9Å
190	S	94.8	Very high	90.8	Very high	5 Å²	5	39.9 Å²	39.9	4%	0.035	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.5	168.1	58.3	0	0	0	0	110.2	L67 F157 S192	L67-S190 PolarHBondContact N-O 3.4Å; L67-S190 PolarHBondContact O-N 3.11Å; L67-S190 PolarHBondContact O-OG 3.04Å; F157-S190 WeakPolarHBondContact O-CA 3.29Å; S190-S192 PolarHBondContact O-N 3.28Å
191	I	94.8	Very high	90.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.2	175.6	-55.4	-175.6	0	0	0	108.9	Y66 I156 F157 W158 W165 K195 M196 F199 F223 I227	Y66-I191 HydrophobicContact CD1-CG1 4.29Å; Y66-I191 HydrophobicContact CE1-CG1 4.26Å; I156-I191 HydrophobicContact CG2-CD1 3.9Å; I156-I191 HydrophobicContact CG2-CG1 3.54Å; F157-I191 PolarHBondContact O-N 3.44Å; W158-I191 HydrophobicContact CB-CB 4.49Å; W158-I191 HydrophobicContact CB-CD1 3.65Å; W158-I191 HydrophobicContact CB-CG1 4.14Å; W165-I191 PolarHBondContact NE1-O 3.04Å; I191-K195 HydrophobicContact CG2-CB 3.8Å; I191-K195 HydrophobicContact CG2-CD 4.49Å; I191-K195 HydrophobicContact CG2-CG 3.8Å; I191-M196 HydrophobicContact CB-CG 4.34Å; I191-M196 HydrophobicContact CB-SD 4.05Å; I191-M196 HydrophobicContact CG2-CG 3.81Å; I191-M196 HydrophobicContact CG2-SD 3.74Å; I191-F199 HydrophobicContact CD1-CE2 3.8Å; I191-F199 HydrophobicContact CG2-CD2 4.26Å; I191-F199 HydrophobicContact CG2-CE2 3.77Å; I191-F223 HydrophobicContact CD1-CD1 4.19Å; I191-I227 HydrophobicContact CD1-CD1 4.38Å
192	S	91.9	Very high	91	Very high	11 Å²	11	40.3 Å²	40.3	8%	0.077	21%	0.213	C	C	.	.			trans	-64.5	156.3	-179	73.1	0	0	0	0	112.2	G65 S190 N194 K195 M196	G65-S192 WeakPolarHBondContact CA-OG 3.39Å; G65-S192 VanDerWaalsContact O-CB 3.25Å; G65-S192 WeakPolarHBondContact O-CB 3.42Å; G65-S192 PolarHBondContact O-N 3.14Å; G65-S192 PolarHBondContact O-OG 3.03Å; G65-S192 VanDerWaalsContact O-OG 3.12Å; S190-S192 PolarHBondContact O-N 3.28Å; S192-N194 PolarHBondContact O-N 2.83Å; S192-K195 PolarHBondContact O-N 2.96Å; S192-K195 VanDerWaalsContact O-N 3.13Å; S192-K195 WeakPolarHBondContact OG-CB 3.3Å; S192-K195 PolarHBondContact OG-N 3.26Å; S192-M196 WeakPolarHBondContact O-CG 3.1Å; S192-M196 PolarHBondContact O-N 3.12Å
193	P	90.3	Very high	91.2	Very high	45 Å²	45	35.8 Å²	35.8	29%	0.292	19%	0.185	S	C	.	.	H	α-helix	trans	-54.4	-40.8	175.8	-16.6	20.8	0	0	0	113	W165 M196 R197	W165-P193 HydrophobicContact CD2-CG 4.09Å; W165-P193 HydrophobicContact CE3-CB 4.44Å; W165-P193 HydrophobicContact CE3-CG 3.71Å; W165-P193 HydrophobicContact CH2-CB 3.36Å; W165-P193 HydrophobicContact CH2-CG 3.53Å; W165-P193 HydrophobicContact CZ2-CB 3.9Å; W165-P193 HydrophobicContact CZ2-CG 3.9Å; W165-P193 HydrophobicContact CZ3-CB 3.66Å; W165-P193 HydrophobicContact CZ3-CG 3.4Å; P193-M196 PolarHBondContact O-N 3.42Å; P193-R197 PolarHBondContact O-N 3.33Å; P193-R197 VanDerWaalsContact O-N 3.14Å
194	N	90.1	Very high	91.5	Very high	83 Å²	83	34.5 Å²	34.5	44%	0.444	19%	0.185	S	C	.	.	H	α-helix	trans	-67.5	-41.1	-179.2	-165.6	40.8	0	0	0	111.6	S192 R197 K198	S192-N194 PolarHBondContact O-N 2.83Å; N194-R197 PolarHBondContact O-N 2.62Å; N194-R197 PolarHBondContact OD1-NH2 2.92Å; N194-K198 PolarHBondContact O-N 3.2Å; N194-K198 VanDerWaalsContact O-N 3.08Å
195	K	91.9	Very high	91.9	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-69.7	-36.4	177.3	-174.7	149.9	-177	153.5	0	112.5	A61 G62 D64 Y66 I191 S192 R197 K198 F199 E230	A61-K195 PolarHBondContact O-NZ 2.92Å; G62-K195 PolarHBondContact O-NZ 3.02Å; D64-K195 WeakPolarHBondContact O-CD 3.24Å; Y66-K195 HydrophobicContact CE1-CD 4.32Å; Y66-K195 HydrophobicContact CE2-CD 4.41Å; Y66-K195 VanDerWaalsContact CZ-CE 3.4Å; Y66-K195 WeakPolarHBondContact OH-CE 3.32Å; Y66-K195 PolarHBondContact OH-NZ 2.88Å; I191-K195 HydrophobicContact CG2-CB 3.8Å; I191-K195 HydrophobicContact CG2-CD 4.49Å; I191-K195 HydrophobicContact CG2-CG 3.8Å; S192-K195 PolarHBondContact O-N 2.96Å; S192-K195 VanDerWaalsContact O-N 3.13Å; S192-K195 WeakPolarHBondContact OG-CB 3.3Å; S192-K195 PolarHBondContact OG-N 3.26Å; K195-R197 VanDerWaalsContact C-N 3.33Å; K195-R197 PolarHBondContact O-N 3.37Å; K195-K198 WeakPolarHBondContact O-CB 3.49Å; K195-K198 PolarHBondContact O-N 2.86Å; K195-K198 VanDerWaalsContact O-N 3.12Å; K195-F199 HydrophobicContact CD-CE2 4.37Å; K195-F199 HydrophobicContact CD-CZ 4.22Å; K195-F199 HydrophobicContact CG-CD2 4.21Å; K195-F199 HydrophobicContact CG-CE2 3.66Å; K195-F199 HydrophobicContact CG-CZ 3.88Å; K195-F199 WeakPolarHBondContact O-CD2 3.35Å; K195-F199 PolarHBondContact O-N 3.46Å; K195-E230 WeakPolarHBondContact CE-OE1 3.44Å; K195-E230 IonicContact NZ-OE1 3.8Å; K195-E230 PolarHBondContact NZ-OE1 2.92Å; K195-E230 IonicContact NZ-OE2 3.19Å; K195-E230 PolarHBondContact NZ-OE2 3.48Å
196	M	92.8	Very high	92.2	Very high	19 Å²	19	33.6 Å²	33.6	9%	0.094	16%	0.162	C	C	.	.	H	α-helix	trans	-55.6	-47.2	169.9	-72.2	-63.7	-62.8	0	0	111.5	W158 W165 I191 S192 P193 K198 F199 D200 F223	W158-M196 HydrophobicContact CB-SD 4.28Å; W158-M196 HydrophobicContact CE3-CE 4.06Å; W165-M196 HydrophobicContact CZ2-CG 4.34Å; I191-M196 HydrophobicContact CB-CG 4.34Å; I191-M196 HydrophobicContact CB-SD 4.05Å; I191-M196 HydrophobicContact CG2-CG 3.81Å; I191-M196 HydrophobicContact CG2-SD 3.74Å; S192-M196 WeakPolarHBondContact O-CG 3.1Å; S192-M196 PolarHBondContact O-N 3.12Å; P193-M196 PolarHBondContact O-N 3.42Å; M196-K198 VanDerWaalsContact C-N 3.31Å; M196-K198 PolarHBondContact O-N 3.08Å; M196-F199 PolarHBondContact O-N 3.24Å; M196-D200 PolarHBondContact O-N 2.73Å; M196-D200 VanDerWaalsContact O-N 3.09Å; M196-F223 HydrophobicContact CE-CE1 3.78Å; M196-F223 HydrophobicContact CE-CZ 3.59Å; M196-F223 HydrophobicContact SD-CE1 3.66Å; M196-F223 HydrophobicContact SD-CZ 4.1Å
197	R	91.1	Very high	92.3	Very high	128 Å²	128	33.7 Å²	33.7	48%	0.483	16%	0.164	S	C	.	.	H	α-helix	trans	-61.2	-37.3	175.3	-69.7	-172	-61.5	-100.6	3.4	113.1	P193 N194 K195 D200 N201	P193-R197 PolarHBondContact O-N 3.33Å; P193-R197 VanDerWaalsContact O-N 3.14Å; N194-R197 PolarHBondContact O-N 2.62Å; N194-R197 PolarHBondContact OD1-NH2 2.92Å; K195-R197 VanDerWaalsContact C-N 3.33Å; K195-R197 PolarHBondContact O-N 3.37Å; R197-D200 WeakPolarHBondContact O-CB 3.38Å; R197-D200 PolarHBondContact O-N 2.79Å; R197-N201 WeakPolarHBondContact O-CB 3.48Å; R197-N201 VanDerWaalsContact O-CG 3.24Å; R197-N201 PolarHBondContact O-N 3.13Å
198	K	91.7	Very high	92.2	Very high	72 Å²	72	36 Å²	36	31%	0.313	19%	0.19	S	C	.	.	H	α-helix	trans	-62.4	-41.9	175	-70.7	179.5	174.9	-169.7	0	111.8	N194 K195 M196 D200 N201 L202	N194-K198 PolarHBondContact O-N 3.2Å; N194-K198 VanDerWaalsContact O-N 3.08Å; K195-K198 WeakPolarHBondContact O-CB 3.49Å; K195-K198 PolarHBondContact O-N 2.86Å; K195-K198 VanDerWaalsContact O-N 3.12Å; M196-K198 VanDerWaalsContact C-N 3.31Å; M196-K198 PolarHBondContact O-N 3.08Å; K198-D200 VanDerWaalsContact C-N 3.29Å; K198-D200 PolarHBondContact O-N 2.9Å; K198-N201 PolarHBondContact O-N 3.32Å; K198-L202 WeakPolarHBondContact O-CB 3.39Å; K198-L202 PolarHBondContact O-N 2.82Å
199	F	93.3	Very high	91.9	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-36.7	174.6	-65.7	-44.8	0	0	0	112.5	I191 K195 M196 F203 L218 F223 V226 I227	I191-F199 HydrophobicContact CD1-CE2 3.8Å; I191-F199 HydrophobicContact CG2-CD2 4.26Å; I191-F199 HydrophobicContact CG2-CE2 3.77Å; K195-F199 HydrophobicContact CD-CE2 4.37Å; K195-F199 HydrophobicContact CD-CZ 4.22Å; K195-F199 HydrophobicContact CG-CD2 4.21Å; K195-F199 HydrophobicContact CG-CE2 3.66Å; K195-F199 HydrophobicContact CG-CZ 3.88Å; K195-F199 WeakPolarHBondContact O-CD2 3.35Å; K195-F199 PolarHBondContact O-N 3.46Å; M196-F199 PolarHBondContact O-N 3.24Å; F199-F203 PolarHBondContact O-N 3.14Å; F199-L218 HydrophobicContact CB-CD1 4.07Å; F199-F223 HydrophobicContact CB-CD1 4.36Å; F199-F223 HydrophobicContact CB-CE1 3.96Å; F199-F223 AromaticContact CD2-CD1 3.43Å; F199-F223 HydrophobicContact CD2-CD1 3.43Å; F199-F223 VanDerWaalsContact CD2-CD1 3.43Å; F199-F223 AromaticContact CD2-CE1 3.47Å; F199-F223 HydrophobicContact CD2-CE1 3.47Å; F199-F223 VanDerWaalsContact CD2-CE1 3.47Å; F199-F223 AromaticContact CE2-CD1 3.76Å; F199-F223 HydrophobicContact CE2-CD1 3.76Å; F199-F223 HydrophobicContact CE2-CE1 4.2Å; F199-F223 AromaticContact CG-CD1 3.97Å; F199-F223 HydrophobicContact CG-CD1 3.97Å; F199-F223 AromaticContact CG-CE1 3.99Å; F199-F223 HydrophobicContact CG-CE1 3.99Å; F199-V226 HydrophobicContact CD1-CB 4.16Å; F199-V226 HydrophobicContact CD1-CG1 3.85Å; F199-V226 HydrophobicContact CD1-CG2 4.4Å; F199-V226 HydrophobicContact CE1-CB 3.85Å; F199-V226 HydrophobicContact CE1-CG1 3.45Å; F199-V226 VanDerWaalsContact CE1-CG1 3.45Å; F199-I227 HydrophobicContact CZ-CG1 4.39Å
200	D	92.3	Very high	91.6	Very high	11 Å²	11	42 Å²	42	6%	0.059	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-47.1	176.2	-55.5	-26.8	0	0	0	112	M196 R197 K198 L202 F203 S204 R211 L218	M196-D200 PolarHBondContact O-N 2.73Å; M196-D200 VanDerWaalsContact O-N 3.09Å; R197-D200 WeakPolarHBondContact O-CB 3.38Å; R197-D200 PolarHBondContact O-N 2.79Å; K198-D200 VanDerWaalsContact C-N 3.29Å; K198-D200 PolarHBondContact O-N 2.9Å; D200-L202 VanDerWaalsContact C-N 3.28Å; D200-L202 PolarHBondContact O-N 3.32Å; D200-F203 PolarHBondContact O-N 3.5Å; D200-S204 PolarHBondContact O-N 3.05Å; D200-R211 WeakPolarHBondContact OD1-CD 3.36Å; D200-R211 IonicContact OD1-CZ 3.59Å; D200-R211 IonicContact OD1-NE 3.54Å; D200-R211 PolarHBondContact OD1-NE 3.14Å; D200-R211 IonicContact OD1-NH2 3.71Å; D200-R211 IonicContact OD2-CZ 2.79Å; D200-R211 VanDerWaalsContact OD2-CZ 3.32Å; D200-R211 IonicContact OD2-NE 3.2Å; D200-R211 PolarHBondContact OD2-NE 2.92Å; D200-R211 IonicContact OD2-NH2 2.98Å; D200-R211 PolarHBondContact OD2-NH2 2.89Å; D200-L218 WeakPolarHBondContact OD1-CD1 3.12Å
201	N	91.8	Very high	91.3	Very high	106 Å²	106	43.6 Å²	43.6	57%	0.567	22%	0.221	S	C	*	.	H	α-helix	trans	-63.1	-38.6	177.7	-70.8	-10.4	0	0	0	111	R197 K198 S204 R205	R197-N201 WeakPolarHBondContact O-CB 3.48Å; R197-N201 VanDerWaalsContact O-CG 3.24Å; R197-N201 PolarHBondContact O-N 3.13Å; K198-N201 PolarHBondContact O-N 3.32Å; N201-S204 PolarHBondContact O-N 3.48Å; N201-R205 WeakPolarHBondContact O-CB 3.47Å; N201-R205 PolarHBondContact O-N 3.29Å
202	L	92.3	Very high	90.8	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-47.4	174.9	176.3	57.5	0	0	0	111.2	L57 K198 D200 S204 R205 E206 W222 V226 W295	L57-L202 HydrophobicContact CD2-CD1 3.22Å; L57-L202 HydrophobicContact CD2-CD2 3.86Å; L57-L202 HydrophobicContact CD2-CG 4.18Å; K198-L202 WeakPolarHBondContact O-CB 3.39Å; K198-L202 PolarHBondContact O-N 2.82Å; D200-L202 VanDerWaalsContact C-N 3.28Å; D200-L202 PolarHBondContact O-N 3.32Å; L202-S204 VanDerWaalsContact C-N 3.33Å; L202-S204 PolarHBondContact O-N 3.44Å; L202-R205 PolarHBondContact O-N 3.39Å; L202-E206 HydrophobicContact CD1-CG 3.87Å; L202-E206 HydrophobicContact CG-CG 4.46Å; L202-E206 WeakPolarHBondContact O-CB 3.43Å; L202-E206 WeakPolarHBondContact O-CG 3.14Å; L202-E206 PolarHBondContact O-N 3.43Å; L202-W222 HydrophobicContact CD2-CZ2 4.31Å; L202-W222 HydrophobicContact CG-CZ2 3.98Å; L202-V226 HydrophobicContact CD2-CG1 4.01Å; L202-V226 HydrophobicContact CD2-CG2 3.87Å; L202-W295 HydrophobicContact CD1-CZ2 4.29Å; L202-W295 HydrophobicContact CD2-CH2 4.04Å; L202-W295 HydrophobicContact CD2-CZ2 4.09Å; L202-W295 HydrophobicContact CG-CZ2 4.28Å
203	F	92.9	Very high	90.5	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-45.8	176.3	179.5	-92.8	0	0	0	111.5	F199 D200 R205 E206 T207 R209 L218 W222 R284 T287 E288	F199-F203 PolarHBondContact O-N 3.14Å; D200-F203 PolarHBondContact O-N 3.5Å; F203-R205 VanDerWaalsContact C-N 3.35Å; F203-R205 PolarHBondContact O-N 3.17Å; F203-E206 PolarHBondContact O-N 3.37Å; F203-T207 HydrophobicContact CD2-CG2 4.05Å; F203-T207 HydrophobicContact CE1-CG2 4.3Å; F203-T207 HydrophobicContact CE2-CG2 3.8Å; F203-T207 HydrophobicContact CG-CG2 4.4Å; F203-T207 HydrophobicContact CZ-CG2 3.94Å; F203-T207 WeakPolarHBondContact O-CB 3.13Å; F203-T207 WeakPolarHBondContact O-CG2 2.98Å; F203-T207 PolarHBondContact O-N 2.7Å; F203-T207 PolarHBondContact O-OG1 3.47Å; F203-R209 WeakPolarHBondContact CD1-O 3.46Å; F203-R209 HydrophobicContact CE1-CB 4.19Å; F203-R209 WeakPolarHBondContact CE1-O 3.39Å; F203-L218 HydrophobicContact CB-CD2 3.57Å; F203-L218 HydrophobicContact CD1-CD2 4Å; F203-L218 HydrophobicContact CD2-CD2 3.45Å; F203-L218 VanDerWaalsContact CD2-CD2 3.45Å; F203-L218 HydrophobicContact CE2-CD2 4.1Å; F203-L218 HydrophobicContact CG-CD2 3.38Å; F203-W222 VanDerWaalsContact CA-CZ2 3.41Å; F203-W222 HydrophobicContact CB-CH2 4.14Å; F203-W222 HydrophobicContact CB-CZ2 3.59Å; F203-W222 HydrophobicContact CD2-CD2 4.14Å; F203-W222 HydrophobicContact CD2-CE3 4.03Å; F203-W222 AromaticContact CD2-CH2 3.86Å; F203-W222 HydrophobicContact CD2-CH2 3.86Å; F203-W222 AromaticContact CD2-CZ2 3.97Å; F203-W222 HydrophobicContact CD2-CZ2 3.97Å; F203-W222 AromaticContact CD2-CZ3 3.89Å; F203-W222 HydrophobicContact CD2-CZ3 3.89Å; F203-W222 HydrophobicContact CG-CH2 4.46Å; F203-W222 HydrophobicContact CG-CZ2 4.29Å; F203-R284 HydrophobicContact CZ-CB 4.15Å; F203-R284 HydrophobicContact CZ-CG 4.36Å; F203-T287 HydrophobicContact CE2-CG2 4.34Å; F203-T287 HydrophobicContact CZ-CG2 4.14Å; F203-E288 HydrophobicContact CD2-CG 4.44Å; F203-E288 HydrophobicContact CE2-CG 3.87Å
204	S	93.1	Very high	90.1	Very high	34 Å²	34	56.4 Å²	56.4	24%	0.238	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-44.4	177.5	-172.2	0	0	0	0	112	D200 N201 L202 T207 G208 R209	D200-S204 PolarHBondContact O-N 3.05Å; N201-S204 PolarHBondContact O-N 3.48Å; L202-S204 VanDerWaalsContact C-N 3.33Å; L202-S204 PolarHBondContact O-N 3.44Å; S204-T207 PolarHBondContact O-N 3.22Å; S204-G208 WeakPolarHBondContact O-CA 3.29Å; S204-G208 PolarHBondContact O-N 3.24Å; S204-R209 VanDerWaalsContact CA-O 3.32Å; S204-R209 WeakPolarHBondContact CA-O 3.45Å
205	R	91.2	Very high	90	Very high	125 Å²	125	58.3 Å²	58.3	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-41.4	176.7	-179.4	178.3	169.4	-168.8	-4.5	112.8	D56 N201 L202 F203	D56-R205 IonicContact OD2-CZ 3.19Å; D56-R205 IonicContact OD2-NH1 2.61Å; D56-R205 PolarHBondContact OD2-NH1 2.92Å; D56-R205 IonicContact OD2-NH2 2.76Å; D56-R205 PolarHBondContact OD2-NH2 2.62Å; N201-R205 WeakPolarHBondContact O-CB 3.47Å; N201-R205 PolarHBondContact O-N 3.29Å; L202-R205 PolarHBondContact O-N 3.39Å; F203-R205 VanDerWaalsContact C-N 3.35Å; F203-R205 PolarHBondContact O-N 3.17Å
206	E	91.1	Very high	89.9	Confident	26 Å²	26	58.2 Å²	58.2	12%	0.121	28%	0.282	C	S	.	.	H	α-helix	trans	-75.3	-24.6	-177.9	-75	-72.1	174.8	0	0	113.5	L202 F203 W222 V291 R294 W295	L202-E206 HydrophobicContact CD1-CG 3.87Å; L202-E206 HydrophobicContact CG-CG 4.46Å; L202-E206 WeakPolarHBondContact O-CB 3.43Å; L202-E206 WeakPolarHBondContact O-CG 3.14Å; L202-E206 PolarHBondContact O-N 3.43Å; F203-E206 PolarHBondContact O-N 3.37Å; E206-W222 HydrophobicContact CB-CH2 4.31Å; E206-W222 HydrophobicContact CG-CH2 4.43Å; E206-V291 HydrophobicContact CB-CG1 3.85Å; E206-V291 HydrophobicContact CB-CG2 3.92Å; E206-V291 HydrophobicContact CG-CG1 3.86Å; E206-R294 PolarHBondContact O-NH2 3.05Å; E206-R294 IonicContact OE2-CZ 2.83Å; E206-R294 IonicContact OE2-NE 2.7Å; E206-R294 IonicContact OE2-NH2 3.89Å; E206-R294 PolarHBondContact OE2-NH2 3.23Å; E206-W295 VanDerWaalsContact CD-NE1 3.32Å; E206-W295 HydrophobicContact CG-CZ2 3.95Å; E206-W295 PolarHBondContact OE1-NE1 2.89Å
207	T	90.8	Very high	89.9	Confident	9 Å²	9	61.3 Å²	61.3	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-118.4	-13.8	-170.8	66	0	0	0	0	113.4	F203 S204 R209 T287 V291	F203-T207 HydrophobicContact CD2-CG2 4.05Å; F203-T207 HydrophobicContact CE1-CG2 4.3Å; F203-T207 HydrophobicContact CE2-CG2 3.8Å; F203-T207 HydrophobicContact CG-CG2 4.4Å; F203-T207 HydrophobicContact CZ-CG2 3.94Å; F203-T207 WeakPolarHBondContact O-CB 3.13Å; F203-T207 WeakPolarHBondContact O-CG2 2.98Å; F203-T207 PolarHBondContact O-N 2.7Å; F203-T207 PolarHBondContact O-OG1 3.47Å; S204-T207 PolarHBondContact O-N 3.22Å; T207-R209 PolarHBondContact O-N 2.05Å; T207-R209 WeakPolarHBondContact OG1-CB 3.45Å; T207-R209 PolarHBondContact OG1-N 3.06Å; T207-R209 VanDerWaalsContact OG1-N 3.08Å; T207-T287 HydrophobicContact CG2-CG2 3.49Å; T207-T287 VanDerWaalsContact CG2-CG2 3.49Å; T207-V291 HydrophobicContact CG2-CG2 3.67Å
208	G	90.1	Very high	90.1	Very high	62 Å²	62	55.4 Å²	55.4	64%	0.639	27%	0.27	S	S	*	.	S	Bend	trans	67.4	9.2	-166.2	0	0	0	0	0	113.5	S204	S204-G208 WeakPolarHBondContact O-CA 3.29Å; S204-G208 PolarHBondContact O-N 3.24Å
209	R	87.9	Confident	90.4	Very high	85 Å²	85	52.3 Å²	52.3	32%	0.321	26%	0.258	S	S	.	.			trans	-115.4	119.2	-173.7	-63	178	176.2	-136	-2.3	111.4	F203 S204 T207 R211	F203-R209 WeakPolarHBondContact CD1-O 3.46Å; F203-R209 HydrophobicContact CE1-CB 4.19Å; F203-R209 WeakPolarHBondContact CE1-O 3.39Å; S204-R209 VanDerWaalsContact CA-O 3.32Å; S204-R209 WeakPolarHBondContact CA-O 3.45Å; T207-R209 PolarHBondContact O-N 2.05Å; T207-R209 WeakPolarHBondContact OG1-CB 3.45Å; T207-R209 PolarHBondContact OG1-N 3.06Å; T207-R209 VanDerWaalsContact OG1-N 3.08Å; R209-R211 PolarHBondContact O-N 3.42Å
210	D	88.5	Confident	90.6	Very high	52 Å²	52	53 Å²	53	28%	0.278	26%	0.262	S	S	.	.			trans	-75.9	124.6	169.1	-175.2	-77.2	0	0	0	110.5	Q212 K213 S214	D210-Q212 VanDerWaalsContact C-N 3.32Å; D210-Q212 PolarHBondContact O-N 3.32Å; D210-Q212 WeakPolarHBondContact OD1-CA 3.41Å; D210-Q212 VanDerWaalsContact OD1-CB 3.31Å; D210-Q212 WeakPolarHBondContact OD1-CB 3.41Å; D210-Q212 PolarHBondContact OD1-N 2.86Å; D210-K213 HydrophobicContact CB-CB 4.05Å; D210-K213 HydrophobicContact CB-CD 3.96Å; D210-K213 HydrophobicContact CB-CG 3.97Å; D210-K213 PolarHBondContact OD1-N 2.52Å; D210-S214 WeakPolarHBondContact O-CB 3.45Å; D210-S214 PolarHBondContact O-N 3.16Å; D210-S214 VanDerWaalsContact O-N 3.07Å; D210-S214 PolarHBondContact O-OG 3.23Å
211	R	87.8	Confident	90.9	Very high	39 Å²	39	53.3 Å²	53.3	15%	0.147	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-34	-178.4	74.3	163	-176.7	70.8	10.5	113	D200 R209 S214 H215 S216	D200-R211 WeakPolarHBondContact OD1-CD 3.36Å; D200-R211 IonicContact OD1-CZ 3.59Å; D200-R211 IonicContact OD1-NE 3.54Å; D200-R211 PolarHBondContact OD1-NE 3.14Å; D200-R211 IonicContact OD1-NH2 3.71Å; D200-R211 IonicContact OD2-CZ 2.79Å; D200-R211 VanDerWaalsContact OD2-CZ 3.32Å; D200-R211 IonicContact OD2-NE 3.2Å; D200-R211 PolarHBondContact OD2-NE 2.92Å; D200-R211 IonicContact OD2-NH2 2.98Å; D200-R211 PolarHBondContact OD2-NH2 2.89Å; R209-R211 PolarHBondContact O-N 3.42Å; R211-S214 WeakPolarHBondContact CA-OG 3.31Å; R211-S214 CarbonylContact O-C 3.53Å; R211-S214 PolarHBondContact O-N 3.5Å; R211-S214 PolarHBondContact O-OG 2.81Å; R211-H215 PolarHBondContact O-N 3.28Å; R211-S216 PolarHBondContact O-N 2.87Å; R211-S216 PolarHBondContact O-OG 3.12Å
212	Q	84.4	Confident	91.2	Very high	119 Å²	119	48.2 Å²	48.2	56%	0.556	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-45.8	-176	-57	-175.1	32	0	0	109.6	D210 S214 H215	D210-Q212 VanDerWaalsContact C-N 3.32Å; D210-Q212 PolarHBondContact O-N 3.32Å; D210-Q212 WeakPolarHBondContact OD1-CA 3.41Å; D210-Q212 VanDerWaalsContact OD1-CB 3.31Å; D210-Q212 WeakPolarHBondContact OD1-CB 3.41Å; D210-Q212 PolarHBondContact OD1-N 2.86Å; Q212-S214 PolarHBondContact O-N 3.45Å; Q212-H215 PolarHBondContact O-N 3.49Å; Q212-H215 VanDerWaalsContact O-N 3.07Å
213	K	85.1	Confident	91.4	Very high	179 Å²	179	48.2 Å²	48.2	78%	0.778	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.9	174	-64.3	-176.1	-177.1	179.3	0	112.2	D210 H215	D210-K213 HydrophobicContact CB-CB 4.05Å; D210-K213 HydrophobicContact CB-CD 3.96Å; D210-K213 HydrophobicContact CB-CG 3.97Å; D210-K213 PolarHBondContact OD1-N 2.52Å; K213-H215 VanDerWaalsContact C-N 3.33Å
214	S	82.7	Confident	91.7	Very high	27 Å²	27	48.1 Å²	48.1	19%	0.189	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.4	177	63.5	0	0	0	0	114.3	D210 R211 Q212 S216 H282	D210-S214 WeakPolarHBondContact O-CB 3.45Å; D210-S214 PolarHBondContact O-N 3.16Å; D210-S214 VanDerWaalsContact O-N 3.07Å; D210-S214 PolarHBondContact O-OG 3.23Å; R211-S214 WeakPolarHBondContact CA-OG 3.31Å; R211-S214 CarbonylContact O-C 3.53Å; R211-S214 PolarHBondContact O-N 3.5Å; R211-S214 PolarHBondContact O-OG 2.81Å; Q212-S214 PolarHBondContact O-N 3.45Å; S214-S216 PolarHBondContact O-N 3.13Å; S214-S216 PolarHBondContact OG-OG 3.04Å; S214-H282 PolarHBondContact O-NE2 3.13Å
215	H	87.3	Confident	91.9	Very high	123 Å²	123	46.5 Å²	46.5	57%	0.569	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	28.2	-177	-60.1	-70.7	0	0	0	115.1	R211 Q212 K213 G280	R211-H215 PolarHBondContact O-N 3.28Å; Q212-H215 PolarHBondContact O-N 3.49Å; Q212-H215 VanDerWaalsContact O-N 3.07Å; K213-H215 VanDerWaalsContact C-N 3.33Å; H215-G280 WeakPolarHBondContact O-CA 3.36Å
216	S	90.6	Very high	92.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-99.7	161.7	-178.7	63.1	0	0	0	0	112.5	R211 S214 H282	R211-S216 PolarHBondContact O-N 2.87Å; R211-S216 PolarHBondContact O-OG 3.12Å; S214-S216 PolarHBondContact O-N 3.13Å; S214-S216 PolarHBondContact OG-OG 3.04Å; S216-H282 WeakPolarHBondContact CA-O 3.31Å
217	W	92.7	Very high	92.4	Very high	84 Å²	84	39.5 Å²	39.5	32%	0.318	20%	0.202	S	C	.	.			trans	-116.4	140.9	173	-68.8	84.1	0	0	0	110.2	P160 H282 H283	P160-W217 HydrophobicContact CG-CH2 4.16Å; P160-W217 HydrophobicContact CG-CZ3 4.47Å; W217-H282 PolarHBondContact N-O 3.32Å; W217-H283 PolarHBondContact O-ND1 3.31Å
218	L	95.3	Very high	92.7	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.199	C	C	.	.			trans	-63.5	138.8	167.8	-57.8	175.5	0	0	0	109.1	W158 F199 D200 F203 W222 F223	W158-L218 VanDerWaalsContact CH2-O 3.3Å; W158-L218 WeakPolarHBondContact CH2-O 3.41Å; F199-L218 HydrophobicContact CB-CD1 4.07Å; D200-L218 WeakPolarHBondContact OD1-CD1 3.12Å; F203-L218 HydrophobicContact CB-CD2 3.57Å; F203-L218 HydrophobicContact CD1-CD2 4Å; F203-L218 HydrophobicContact CD2-CD2 3.45Å; F203-L218 VanDerWaalsContact CD2-CD2 3.45Å; F203-L218 HydrophobicContact CE2-CD2 4.1Å; F203-L218 HydrophobicContact CG-CD2 3.38Å; L218-W222 HydrophobicContact CB-CB 4.29Å; L218-W222 HydrophobicContact CB-CG 4.26Å; L218-W222 HydrophobicContact CD2-CD2 4.46Å; L218-W222 HydrophobicContact CD2-CG 4.21Å; L218-F223 HydrophobicContact CB-CD2 4.37Å; L218-F223 HydrophobicContact CB-CE2 3.57Å; L218-F223 HydrophobicContact CB-CZ 3.8Å; L218-F223 HydrophobicContact CD1-CE1 4.27Å; L218-F223 HydrophobicContact CD1-CE2 4.5Å; L218-F223 HydrophobicContact CD1-CZ 3.9Å; L218-F223 HydrophobicContact CG-CZ 4.42Å
219	S	97.1	Very high	92.9	Very high	8 Å²	8	36.3 Å²	36.3	6%	0.056	17%	0.17	C	C	.	.			trans	-73.8	161.7	176	84	0	0	0	0	111.6	G221 W222 F223 E288	S219-G221 PolarHBondContact O-N 2.89Å; S219-G221 WeakPolarHBondContact OG-CA 3.43Å; S219-G221 PolarHBondContact OG-N 3.4Å; S219-W222 WeakPolarHBondContact O-CB 3.46Å; S219-W222 PolarHBondContact O-N 3.38Å; S219-W222 VanDerWaalsContact O-N 3.14Å; S219-W222 PolarHBondContact OG-N 2.9Å; S219-F223 WeakPolarHBondContact O-CD2 3.3Å; S219-F223 PolarHBondContact O-N 2.91Å; S219-E288 WeakPolarHBondContact CB-OE2 2.98Å; S219-E288 PolarHBondContact N-OE1 3.44Å; S219-E288 PolarHBondContact OG-OE2 3.31Å
220	T	98.1	Very high	93.2	Very high	15 Å²	15	32.8 Å²	32.8	9%	0.092	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-29.3	168.1	-52.4	0	0	0	0	111.4	M109 N110 V129 W158 F223 T224	M109-T220 HydrophobicContact CB-CG2 3.97Å; M109-T220 HydrophobicContact CG-CG2 3.85Å; M109-T220 HydrophobicContact SD-CG2 4.06Å; N110-T220 WeakPolarHBondContact ND2-CB 3.48Å; N110-T220 PolarHBondContact ND2-OG1 3.09Å; V129-T220 HydrophobicContact CB-CG2 4.29Å; V129-T220 HydrophobicContact CG1-CG2 4.01Å; W158-T220 WeakPolarHBondContact CZ2-OG1 3.33Å; W158-T220 PolarHBondContact NE1-OG1 3.18Å; T220-F223 PolarHBondContact O-N 3.25Å; T220-T224 VanDerWaalsContact O-CB 3.29Å; T220-T224 WeakPolarHBondContact O-CB 3.48Å; T220-T224 PolarHBondContact O-N 3.09Å; T220-T224 PolarHBondContact O-OG1 3.26Å
221	G	98	Very high	93.4	Very high	17 Å²	17	30.6 Å²	30.6	18%	0.175	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-41.7	174.6	0	0	0	0	0	112.4	S219 T224 M225	S219-G221 PolarHBondContact O-N 2.89Å; S219-G221 WeakPolarHBondContact OG-CA 3.43Å; S219-G221 PolarHBondContact OG-N 3.4Å; G221-T224 PolarHBondContact O-N 2.98Å; G221-M225 WeakPolarHBondContact O-CB 3.33Å; G221-M225 PolarHBondContact O-N 2.92Å
222	W	97.6	Very high	93.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-56.1	173.2	-179.4	-92.5	0	0	0	112.1	L202 F203 E206 L218 S219 T224 M225 V226 E288 V291 F292 W295	L202-W222 HydrophobicContact CD2-CZ2 4.31Å; L202-W222 HydrophobicContact CG-CZ2 3.98Å; F203-W222 VanDerWaalsContact CA-CZ2 3.41Å; F203-W222 HydrophobicContact CB-CH2 4.14Å; F203-W222 HydrophobicContact CB-CZ2 3.59Å; F203-W222 HydrophobicContact CD2-CD2 4.14Å; F203-W222 HydrophobicContact CD2-CE3 4.03Å; F203-W222 AromaticContact CD2-CH2 3.86Å; F203-W222 HydrophobicContact CD2-CH2 3.86Å; F203-W222 AromaticContact CD2-CZ2 3.97Å; F203-W222 HydrophobicContact CD2-CZ2 3.97Å; F203-W222 AromaticContact CD2-CZ3 3.89Å; F203-W222 HydrophobicContact CD2-CZ3 3.89Å; F203-W222 HydrophobicContact CG-CH2 4.46Å; F203-W222 HydrophobicContact CG-CZ2 4.29Å; E206-W222 HydrophobicContact CB-CH2 4.31Å; E206-W222 HydrophobicContact CG-CH2 4.43Å; L218-W222 HydrophobicContact CB-CB 4.29Å; L218-W222 HydrophobicContact CB-CG 4.26Å; L218-W222 HydrophobicContact CD2-CD2 4.46Å; L218-W222 HydrophobicContact CD2-CG 4.21Å; S219-W222 WeakPolarHBondContact O-CB 3.46Å; S219-W222 PolarHBondContact O-N 3.38Å; S219-W222 VanDerWaalsContact O-N 3.14Å; S219-W222 PolarHBondContact OG-N 2.9Å; W222-T224 VanDerWaalsContact C-N 3.26Å; W222-T224 PolarHBondContact O-N 3.11Å; W222-M225 PolarHBondContact O-N 2.66Å; W222-V226 WeakPolarHBondContact O-CG2 3.44Å; W222-V226 PolarHBondContact O-N 3.19Å; W222-V226 VanDerWaalsContact O-N 3.09Å; W222-E288 HydrophobicContact CB-CG 4.39Å; W222-E288 HydrophobicContact CD2-CG 4.47Å; W222-E288 HydrophobicContact CE3-CB 4.07Å; W222-E288 HydrophobicContact CE3-CG 3.77Å; W222-E288 HydrophobicContact CZ3-CG 4.48Å; W222-V291 HydrophobicContact CH2-CB 4.37Å; W222-V291 HydrophobicContact CH2-CG1 3.95Å; W222-V291 HydrophobicContact CH2-CG2 4.29Å; W222-V291 HydrophobicContact CZ3-CB 3.87Å; W222-V291 HydrophobicContact CZ3-CG1 3.86Å; W222-V291 HydrophobicContact CZ3-CG2 3.94Å; W222-F292 AromaticContact CE3-CE1 3.64Å; W222-F292 HydrophobicContact CE3-CE1 3.64Å; W222-F292 HydrophobicContact CE3-CZ 4.07Å; W222-F292 HydrophobicContact CZ3-CE1 4.05Å; W222-W295 AromaticContact CH2-CH2 3.65Å; W222-W295 HydrophobicContact CH2-CH2 3.65Å; W222-W295 AromaticContact CH2-CZ2 3.96Å; W222-W295 HydrophobicContact CH2-CZ2 3.96Å; W222-W295 AromaticContact CZ2-CH2 3.93Å; W222-W295 HydrophobicContact CZ2-CH2 3.93Å; W222-W295 HydrophobicContact CZ2-CZ2 4.43Å; W222-W295 AromaticContact CZ3-CH2 3.99Å; W222-W295 HydrophobicContact CZ3-CH2 3.99Å
223	F	97.7	Very high	94.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-55.2	-45.4	178.1	-67.6	-76.4	0	0	0	111.1	V129 W158 I191 M196 F199 L218 S219 T220 M225 V226 I227	V129-F223 HydrophobicContact CG1-CB 4.38Å; W158-F223 AromaticContact CD2-CD2 3.6Å; W158-F223 HydrophobicContact CD2-CD2 3.6Å; W158-F223 AromaticContact CD2-CE2 3.48Å; W158-F223 HydrophobicContact CD2-CE2 3.48Å; W158-F223 VanDerWaalsContact CD2-CE2 3.48Å; W158-F223 HydrophobicContact CD2-CG 4.28Å; W158-F223 HydrophobicContact CD2-CZ 4.04Å; W158-F223 AromaticContact CE2-CD2 3.51Å; W158-F223 AromaticContact CE2-CE2 3.66Å; W158-F223 AromaticContact CE3-CD2 3.97Å; W158-F223 HydrophobicContact CE3-CD2 3.97Å; W158-F223 HydrophobicContact CE3-CE1 4.47Å; W158-F223 AromaticContact CE3-CE2 3.32Å; W158-F223 HydrophobicContact CE3-CE2 3.32Å; W158-F223 AromaticContact CE3-CZ 3.63Å; W158-F223 HydrophobicContact CE3-CZ 3.63Å; W158-F223 HydrophobicContact CG-CD2 4.05Å; W158-F223 HydrophobicContact CG-CE2 4.27Å; W158-F223 HydrophobicContact CG-CG 4.29Å; W158-F223 HydrophobicContact CH2-CD2 4.17Å; W158-F223 AromaticContact CH2-CE2 3.58Å; W158-F223 HydrophobicContact CH2-CE2 3.58Å; W158-F223 HydrophobicContact CH2-CZ 4.5Å; W158-F223 AromaticContact CZ2-CD2 3.82Å; W158-F223 HydrophobicContact CZ2-CD2 3.82Å; W158-F223 AromaticContact CZ2-CE2 3.72Å; W158-F223 HydrophobicContact CZ2-CE2 3.72Å; W158-F223 HydrophobicContact CZ3-CD2 4.24Å; W158-F223 AromaticContact CZ3-CE2 3.38Å; W158-F223 HydrophobicContact CZ3-CE2 3.38Å; W158-F223 AromaticContact CZ3-CZ 3.89Å; W158-F223 HydrophobicContact CZ3-CZ 3.89Å; W158-F223 AromaticContact NE1-CD2 3.88Å; I191-F223 HydrophobicContact CD1-CD1 4.19Å; M196-F223 HydrophobicContact CE-CE1 3.78Å; M196-F223 HydrophobicContact CE-CZ 3.59Å; M196-F223 HydrophobicContact SD-CE1 3.66Å; M196-F223 HydrophobicContact SD-CZ 4.1Å; F199-F223 HydrophobicContact CB-CD1 4.36Å; F199-F223 HydrophobicContact CB-CE1 3.96Å; F199-F223 AromaticContact CD2-CD1 3.43Å; F199-F223 HydrophobicContact CD2-CD1 3.43Å; F199-F223 VanDerWaalsContact CD2-CD1 3.43Å; F199-F223 AromaticContact CD2-CE1 3.47Å; F199-F223 HydrophobicContact CD2-CE1 3.47Å; F199-F223 VanDerWaalsContact CD2-CE1 3.47Å; F199-F223 AromaticContact CE2-CD1 3.76Å; F199-F223 HydrophobicContact CE2-CD1 3.76Å; F199-F223 HydrophobicContact CE2-CE1 4.2Å; F199-F223 AromaticContact CG-CD1 3.97Å; F199-F223 HydrophobicContact CG-CD1 3.97Å; F199-F223 AromaticContact CG-CE1 3.99Å; F199-F223 HydrophobicContact CG-CE1 3.99Å; L218-F223 HydrophobicContact CB-CD2 4.37Å; L218-F223 HydrophobicContact CB-CE2 3.57Å; L218-F223 HydrophobicContact CB-CZ 3.8Å; L218-F223 HydrophobicContact CD1-CE1 4.27Å; L218-F223 HydrophobicContact CD1-CE2 4.5Å; L218-F223 HydrophobicContact CD1-CZ 3.9Å; L218-F223 HydrophobicContact CG-CZ 4.42Å; S219-F223 WeakPolarHBondContact O-CD2 3.3Å; S219-F223 PolarHBondContact O-N 2.91Å; T220-F223 PolarHBondContact O-N 3.25Å; F223-M225 PolarHBondContact O-N 2.67Å; F223-V226 PolarHBondContact O-N 3.17Å; F223-I227 HydrophobicContact CB-CD1 4.4Å; F223-I227 WeakPolarHBondContact O-CB 3.49Å; F223-I227 VanDerWaalsContact O-CD1 3.27Å; F223-I227 WeakPolarHBondContact O-CD1 3.32Å; F223-I227 WeakPolarHBondContact O-CG1 3.15Å; F223-I227 PolarHBondContact O-N 3.13Å
224	T	98.4	Very high	94.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-39.9	-177.1	-53.4	0	0	0	0	112.2	L84 I107 M109 V129 T220 G221 W222 I227 A228	L84-T224 HydrophobicContact CD1-CG2 3.96Å; L84-T224 HydrophobicContact CD2-CG2 4.5Å; L84-T224 HydrophobicContact CG-CG2 4.1Å; I107-T224 HydrophobicContact CG2-CG2 3.49Å; I107-T224 VanDerWaalsContact CG2-CG2 3.49Å; M109-T224 HydrophobicContact CG-CG2 3.98Å; M109-T224 VanDerWaalsContact CG-OG1 3.29Å; M109-T224 WeakPolarHBondContact CG-OG1 3.31Å; M109-T224 HydrophobicContact SD-CG2 4.17Å; M109-T224 PolarHBondContact SD-OG1 2.86Å; M109-T224 VanDerWaalsContact SD-OG1 3.4Å; V129-T224 WeakPolarHBondContact CB-OG1 3.38Å; V129-T224 HydrophobicContact CG2-CG2 4.12Å; T220-T224 VanDerWaalsContact O-CB 3.29Å; T220-T224 WeakPolarHBondContact O-CB 3.48Å; T220-T224 PolarHBondContact O-N 3.09Å; T220-T224 PolarHBondContact O-OG1 3.26Å; G221-T224 PolarHBondContact O-N 2.98Å; W222-T224 VanDerWaalsContact C-N 3.26Å; W222-T224 PolarHBondContact O-N 3.11Å; T224-I227 PolarHBondContact O-N 3.47Å; T224-A228 VanDerWaalsContact O-CB 3.28Å; T224-A228 WeakPolarHBondContact O-CB 3.29Å; T224-A228 PolarHBondContact O-N 3.18Å
225	M	98.1	Very high	95.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.8	-45	176.9	-173.7	62.5	72	0	0	111.4	L84 G221 W222 F223 A228 I229 V237 M240 F292 W295 I301 F303	L84-M225 HydrophobicContact CD1-CE 4.25Å; L84-M225 HydrophobicContact CD1-SD 4.39Å; G221-M225 WeakPolarHBondContact O-CB 3.33Å; G221-M225 PolarHBondContact O-N 2.92Å; W222-M225 PolarHBondContact O-N 2.66Å; F223-M225 PolarHBondContact O-N 2.67Å; M225-A228 PolarHBondContact O-N 2.59Å; M225-I229 HydrophobicContact CG-CD1 4.23Å; M225-I229 WeakPolarHBondContact O-CG1 2.96Å; M225-I229 PolarHBondContact O-N 3.02Å; M225-V237 HydrophobicContact CE-CG2 3.96Å; M225-M240 HydrophobicContact CE-CE 4.47Å; M225-F292 HydrophobicContact CB-CD1 4.2Å; M225-F292 HydrophobicContact CB-CE1 3.7Å; M225-F292 HydrophobicContact CB-CZ 3.9Å; M225-F292 HydrophobicContact CE-CD2 4.16Å; M225-F292 HydrophobicContact CE-CG 4.17Å; M225-F292 HydrophobicContact CG-CD1 3.71Å; M225-F292 HydrophobicContact CG-CE1 3.74Å; M225-F292 HydrophobicContact CG-CG 4.27Å; M225-F292 HydrophobicContact CG-CZ 4.31Å; M225-W295 HydrophobicContact CB-CZ3 4.47Å; M225-W295 HydrophobicContact CG-CE3 3.89Å; M225-W295 HydrophobicContact CG-CZ3 3.9Å; M225-I301 HydrophobicContact SD-CD1 4.09Å; M225-F303 HydrophobicContact CE-CE1 4.29Å; M225-F303 HydrophobicContact CE-CZ 4.34Å
226	V	96.4	Very high	96.2	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.018	8%	0.08	C	C	.	.	H	α-helix	trans	-63.6	-45.1	177.8	-174.3	0	0	0	0	110.6	A61 F199 L202 W222 F223 A228 I229 E230 W295	A61-V226 HydrophobicContact CB-CG1 3.87Å; F199-V226 HydrophobicContact CD1-CB 4.16Å; F199-V226 HydrophobicContact CD1-CG1 3.85Å; F199-V226 HydrophobicContact CD1-CG2 4.4Å; F199-V226 HydrophobicContact CE1-CB 3.85Å; F199-V226 HydrophobicContact CE1-CG1 3.45Å; F199-V226 VanDerWaalsContact CE1-CG1 3.45Å; L202-V226 HydrophobicContact CD2-CG1 4.01Å; L202-V226 HydrophobicContact CD2-CG2 3.87Å; W222-V226 WeakPolarHBondContact O-CG2 3.44Å; W222-V226 PolarHBondContact O-N 3.19Å; W222-V226 VanDerWaalsContact O-N 3.09Å; F223-V226 PolarHBondContact O-N 3.17Å; V226-A228 VanDerWaalsContact C-N 3.31Å; V226-A228 PolarHBondContact O-N 2.9Å; V226-I229 PolarHBondContact O-N 3.16Å; V226-E230 WeakPolarHBondContact O-CG 3.2Å; V226-E230 PolarHBondContact O-N 3.1Å; V226-E230 VanDerWaalsContact O-N 3.1Å; V226-W295 HydrophobicContact CG2-CH2 3.69Å; V226-W295 HydrophobicContact CG2-CZ3 3.93Å
227	I	96.4	Very high	96.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-42.8	175.5	-65.5	161.4	0	0	0	110.8	Y66 L127 V129 I156 I191 F199 F223 T224 I229 E230 I231	Y66-I227 HydrophobicContact CE1-CG1 4.35Å; Y66-I227 WeakPolarHBondContact OH-CG1 3.32Å; L127-I227 HydrophobicContact CD2-CG2 3.81Å; V129-I227 HydrophobicContact CG1-CD1 4.07Å; V129-I227 HydrophobicContact CG2-CD1 3.84Å; I156-I227 HydrophobicContact CD1-CD1 4.4Å; I156-I227 HydrophobicContact CD1-CG2 4.24Å; I156-I227 HydrophobicContact CG2-CD1 4.48Å; I191-I227 HydrophobicContact CD1-CD1 4.38Å; F199-I227 HydrophobicContact CZ-CG1 4.39Å; F223-I227 HydrophobicContact CB-CD1 4.4Å; F223-I227 WeakPolarHBondContact O-CB 3.49Å; F223-I227 VanDerWaalsContact O-CD1 3.27Å; F223-I227 WeakPolarHBondContact O-CD1 3.32Å; F223-I227 WeakPolarHBondContact O-CG1 3.15Å; F223-I227 PolarHBondContact O-N 3.13Å; T224-I227 PolarHBondContact O-N 3.47Å; I227-I229 VanDerWaalsContact C-N 3.34Å; I227-I229 PolarHBondContact O-N 3.07Å; I227-E230 WeakPolarHBondContact O-CB 3.37Å; I227-E230 PolarHBondContact O-N 2.88Å; I227-I231 HydrophobicContact CG2-CD1 4.26Å; I227-I231 WeakPolarHBondContact O-CG1 3.38Å; I227-I231 PolarHBondContact O-N 2.88Å; I227-I231 VanDerWaalsContact O-N 3.15Å
228	A	97	Very high	96.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.3	-42.4	177.8	0	0	0	0	0	111.4	L84 I107 T224 M225 V226 E230 I231 C232 I235	L84-A228 HydrophobicContact CD1-CB 4.13Å; I107-A228 HydrophobicContact CD1-CB 3.81Å; T224-A228 VanDerWaalsContact O-CB 3.28Å; T224-A228 WeakPolarHBondContact O-CB 3.29Å; T224-A228 PolarHBondContact O-N 3.18Å; M225-A228 PolarHBondContact O-N 2.59Å; V226-A228 VanDerWaalsContact C-N 3.31Å; V226-A228 PolarHBondContact O-N 2.9Å; A228-E230 VanDerWaalsContact C-N 3.28Å; A228-E230 PolarHBondContact O-N 3.05Å; A228-I231 PolarHBondContact O-N 3.02Å; A228-C232 WeakPolarHBondContact O-CA 2.99Å; A228-C232 WeakPolarHBondContact O-CB 3.28Å; A228-C232 PolarHBondContact O-N 3.33Å; A228-C232 PolarHBondContact O-SG 2.86Å; A228-I235 HydrophobicContact CB-CD1 3.77Å; A228-I235 HydrophobicContact CB-CG1 4.31Å; A228-I235 HydrophobicContact CB-CG2 4.45Å
229	I	95.1	Very high	97	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-64.2	-32.3	176.6	-66.9	166.7	0	0	0	112	L57 R58 M225 V226 I227 I235 W295 Y299 I301	L57-I229 HydrophobicContact CB-CG2 4.44Å; R58-I229 HydrophobicContact CG-CG2 4.37Å; M225-I229 HydrophobicContact CG-CD1 4.23Å; M225-I229 WeakPolarHBondContact O-CG1 2.96Å; M225-I229 PolarHBondContact O-N 3.02Å; V226-I229 PolarHBondContact O-N 3.16Å; I227-I229 VanDerWaalsContact C-N 3.34Å; I227-I229 PolarHBondContact O-N 3.07Å; I229-I235 HydrophobicContact CB-CD1 4.48Å; I229-I235 HydrophobicContact CG1-CD1 3.8Å; I229-W295 HydrophobicContact CD1-CD2 4.03Å; I229-W295 HydrophobicContact CD1-CE3 3.46Å; I229-W295 VanDerWaalsContact CD1-CE3 3.46Å; I229-W295 HydrophobicContact CD1-CZ3 3.97Å; I229-Y299 HydrophobicContact CD1-CD2 4.18Å; I229-Y299 HydrophobicContact CG2-CD1 3.89Å; I229-Y299 HydrophobicContact CG2-CE1 3.98Å; I229-Y299 HydrophobicContact CG2-CG 4.22Å; I229-I301 HydrophobicContact CD1-CD1 4.02Å; I229-I301 HydrophobicContact CG1-CD1 4.16Å
230	E	92.3	Very high	97	Very high	11 Å²	11	11.7 Å²	11.7	5%	0.051	6%	0.064	C	C	.	.	H	α-helix	trans	-69.8	-36.1	176.6	-70.8	176.3	-171.2	0	0	113.2	A61 Y66 K195 V226 I227 A228	A61-E230 HydrophobicContact CB-CG 3.82Å; A61-E230 WeakPolarHBondContact CB-OE1 3.27Å; Y66-E230 WeakPolarHBondContact CE2-OE2 3.02Å; Y66-E230 PolarHBondContact OH-OE2 2.99Å; K195-E230 WeakPolarHBondContact CE-OE1 3.44Å; K195-E230 IonicContact NZ-OE1 3.8Å; K195-E230 PolarHBondContact NZ-OE1 2.92Å; K195-E230 IonicContact NZ-OE2 3.19Å; K195-E230 PolarHBondContact NZ-OE2 3.48Å; V226-E230 WeakPolarHBondContact O-CG 3.2Å; V226-E230 PolarHBondContact O-N 3.1Å; V226-E230 VanDerWaalsContact O-N 3.1Å; I227-E230 WeakPolarHBondContact O-CB 3.37Å; I227-E230 PolarHBondContact O-N 2.88Å; A228-E230 VanDerWaalsContact C-N 3.28Å; A228-E230 PolarHBondContact O-N 3.05Å
231	I	93.4	Very high	96.8	Very high	5 Å²	5	11 Å²	11	3%	0.026	6%	0.06	C	C	.	.	H	α-helix	trans	-107.4	-15.7	-169.3	75.6	-178.1	0	0	0	113.7	L77 H78 C79 I107 L127 I227 A228	L77-I231 HydrophobicContact CD2-CD1 4.01Å; L77-I231 HydrophobicContact CG-CD1 4.41Å; L77-I231 WeakPolarHBondContact O-CB 3.25Å; L77-I231 WeakPolarHBondContact O-CG2 3.35Å; H78-I231 CarbonylContact C-O 3.56Å; H78-I231 VanDerWaalsContact CA-O 3.3Å; H78-I231 WeakPolarHBondContact CA-O 3.28Å; H78-I231 PolarHBondContact ND1-O 3.06Å; C79-I231 PolarHBondContact N-O 3.01Å; I107-I231 HydrophobicContact CD1-CD1 4.24Å; L127-I231 HydrophobicContact CD2-CD1 3.5Å; L127-I231 VanDerWaalsContact CD2-CD1 3.5Å; I227-I231 HydrophobicContact CG2-CD1 4.26Å; I227-I231 WeakPolarHBondContact O-CG1 3.38Å; I227-I231 PolarHBondContact O-N 2.88Å; I227-I231 VanDerWaalsContact O-N 3.15Å; A228-I231 PolarHBondContact O-N 3.02Å
232	C	95.3	Very high	96.7	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.007	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.6	-173.3	-51.2	0	0	0	0	112.7	R58 C79 C82 A228 I235	R58-C232 PolarHBondContact NH2-O 2.9Å; C79-C232 VanDerWaalsContact O-CA 3.26Å; C79-C232 WeakPolarHBondContact O-CA 3.46Å; C82-C232 HydrophobicContact CB-CB 3.71Å; C82-C232 WeakPolarHBondContact CB-SG 3.26Å; C82-C232 WeakPolarHBondContact SG-CB 3.45Å; C82-C232 CovalentContact SG-SG 2.01Å; C82-C232 PolarHBondContact SG-SG 3.21Å; A228-C232 WeakPolarHBondContact O-CA 2.99Å; A228-C232 WeakPolarHBondContact O-CB 3.28Å; A228-C232 PolarHBondContact O-N 3.33Å; A228-C232 PolarHBondContact O-SG 2.86Å; C232-I235 HydrophobicContact CB-CD1 4.27Å; C232-I235 HydrophobicContact CB-CG1 3.64Å
233	D	95.4	Very high	96.4	Very high	51 Å²	51	11.5 Å²	11.5	27%	0.273	6%	0.059	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-44.5	167.4	-67.8	-33.6	0	0	0	112.3	R58 H78 C79 R80	R58-D233 IonicContact CZ-OD1 3.54Å; R58-D233 IonicContact NH1-OD1 2.67Å; R58-D233 PolarHBondContact NH1-OD1 3.25Å; R58-D233 IonicContact NH2-OD1 2.66Å; R58-D233 PolarHBondContact NH2-OD1 3.27Å; H78-D233 IonicContact CE1-OD1 3.39Å; H78-D233 IonicContact CE1-OD2 2.92Å; H78-D233 IonicContact NE2-OD2 3.41Å; C79-D233 PolarHBondContact O-N 2.91Å; C79-D233 VanDerWaalsContact O-N 3.15Å; R80-D233 WeakPolarHBondContact O-CB 3.43Å; R80-D233 PolarHBondContact O-N 3.36Å
234	N	97.9	Very high	96.1	Very high	60 Å²	60	13.4 Å²	13.4	32%	0.321	7%	0.07	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.8	176.2	-51.9	-70.9	0	0	0	110.3	R80 N81 C82 N300	R80-N234 PolarHBondContact O-N 2.79Å; R80-N234 PolarHBondContact O-ND2 3.4Å; N81-N234 PolarHBondContact OD1-ND2 2.91Å; C82-N234 PolarHBondContact N-O 3.3Å; N234-N300 HydrophobicContact CB-CB 4.41Å; N234-N300 VanDerWaalsContact OD1-CB 3.29Å; N234-N300 WeakPolarHBondContact OD1-CB 3.18Å; N234-N300 PolarHBondContact OD1-ND2 3.31Å
235	I	98.5	Very high	95.7	Very high	5 Å²	5	16 Å²	16	3%	0.026	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.9	-177.6	-55.6	166	0	0	0	108.5	L84 A228 I229 C232 V237 N300 I301 T302	L84-I235 HydrophobicContact CB-CG2 4.2Å; A228-I235 HydrophobicContact CB-CD1 3.77Å; A228-I235 HydrophobicContact CB-CG1 4.31Å; A228-I235 HydrophobicContact CB-CG2 4.45Å; I229-I235 HydrophobicContact CB-CD1 4.48Å; I229-I235 HydrophobicContact CG1-CD1 3.8Å; C232-I235 HydrophobicContact CB-CD1 4.27Å; C232-I235 HydrophobicContact CB-CG1 3.64Å; I235-V237 HydrophobicContact CG2-CG2 3.88Å; I235-N300 PolarHBondContact N-O 2.92Å; I235-I301 HydrophobicContact CB-CG1 4.24Å; I235-I301 HydrophobicContact CB-CG2 4.45Å; I235-I301 HydrophobicContact CD1-CG1 4.09Å; I235-I301 HydrophobicContact CG2-CG2 4.47Å; I235-I301 CarbonylContact O-C 3.55Å; I235-I301 VanDerWaalsContact O-CA 3.3Å; I235-I301 WeakPolarHBondContact O-CA 3.09Å; I235-T302 PolarHBondContact O-N 3.28Å; I235-T302 PolarHBondContact O-OG1 3.4Å
236	K	98.7	Very high	95.2	Very high	57 Å²	57	17.4 Å²	17.4	25%	0.248	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.4	169.6	-170.7	165.4	172.3	-175.7	0	109.3	C82 A83 L84 E99 Y238 T302 T304	C82-K236 PolarHBondContact O-N 3.27Å; A83-K236 CarbonylContact C-O 3.6Å; A83-K236 WeakPolarHBondContact CA-O 3.48Å; L84-K236 PolarHBondContact N-O 3.48Å; E99-K236 VanDerWaalsContact CD-NZ 3.29Å; E99-K236 IonicContact OE1-NZ 3.88Å; E99-K236 PolarHBondContact OE1-NZ 3.2Å; E99-K236 IonicContact OE2-NZ 3.49Å; E99-K236 PolarHBondContact OE2-NZ 2.91Å; K236-Y238 HydrophobicContact CB-CE2 4.06Å; K236-Y238 HydrophobicContact CD-CE2 4.19Å; K236-Y238 VanDerWaalsContact CD-OH 3.3Å; K236-Y238 WeakPolarHBondContact CD-OH 3.4Å; K236-Y238 VanDerWaalsContact CE-OH 3.24Å; K236-Y238 WeakPolarHBondContact CE-OH 3.24Å; K236-Y238 HydrophobicContact CG-CD2 4.47Å; K236-Y238 HydrophobicContact CG-CE2 3.7Å; K236-Y238 WeakPolarHBondContact O-CD2 3.29Å; K236-T302 CarbonylContact C-O 3.6Å; K236-T302 WeakPolarHBondContact CA-O 3.28Å; K236-T304 HydrophobicContact CD-CG2 4.46Å; K236-T304 HydrophobicContact CG-CG2 4.07Å
237	V	98.8	Very high	94.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.8	-173.4	-177.3	0	0	0	0	109.4	L84 T86 M225 I235 M240 I301 T302 F303 T304	L84-V237 HydrophobicContact CB-CG2 4.34Å; L84-V237 HydrophobicContact CD2-CG1 4.31Å; L84-V237 CarbonylContact O-C 3.57Å; L84-V237 WeakPolarHBondContact O-CA 3.41Å; T86-V237 HydrophobicContact CG2-CG1 4.03Å; M225-V237 HydrophobicContact CE-CG2 3.96Å; I235-V237 HydrophobicContact CG2-CG2 3.88Å; V237-M240 HydrophobicContact CG1-CB 3.9Å; V237-M240 HydrophobicContact CG1-CE 4.04Å; V237-I301 HydrophobicContact CG2-CG2 3.82Å; V237-T302 PolarHBondContact N-O 2.9Å; V237-F303 HydrophobicContact CB-CD1 3.55Å; V237-F303 HydrophobicContact CB-CE1 3.83Å; V237-F303 HydrophobicContact CB-CG 4.35Å; V237-F303 HydrophobicContact CG1-CD1 3.65Å; V237-F303 HydrophobicContact CG1-CE1 3.77Å; V237-F303 HydrophobicContact CG2-CD1 4.04Å; V237-F303 HydrophobicContact CG2-CE1 3.84Å; V237-F303 HydrophobicContact CG2-CZ 4.47Å; V237-T304 WeakPolarHBondContact O-CG2 3.11Å; V237-T304 PolarHBondContact O-N 2.94Å
238	Y	98.7	Very high	92.7	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.7	-178.4	-64.9	-99.4	0	0	0	110.9	A83 L84 T86 A96 E99 I100 K236 T304	A83-Y238 HydrophobicContact CB-CD2 4.38Å; A83-Y238 HydrophobicContact CB-CE2 3.86Å; L84-Y238 PolarHBondContact O-N 2.97Å; T86-Y238 WeakPolarHBondContact CG2-O 3.32Å; T86-Y238 PolarHBondContact N-O 3.41Å; T86-Y238 PolarHBondContact OG1-O 3.23Å; A96-Y238 HydrophobicContact CB-CD1 3.87Å; A96-Y238 HydrophobicContact CB-CE1 3.7Å; E99-Y238 VanDerWaalsContact CD-OH 3.28Å; E99-Y238 PolarHBondContact OE1-OH 3.05Å; E99-Y238 VanDerWaalsContact OE1-OH 3.06Å; I100-Y238 HydrophobicContact CD1-CD1 4.04Å; I100-Y238 HydrophobicContact CD1-CD2 4.4Å; I100-Y238 HydrophobicContact CD1-CE1 4.27Å; I100-Y238 HydrophobicContact CD1-CG 4.12Å; I100-Y238 HydrophobicContact CG1-CD1 4.19Å; I100-Y238 HydrophobicContact CG1-CD2 4.13Å; I100-Y238 HydrophobicContact CG1-CE1 3.96Å; I100-Y238 HydrophobicContact CG1-CE2 3.88Å; I100-Y238 HydrophobicContact CG1-CG 4.27Å; K236-Y238 HydrophobicContact CB-CE2 4.06Å; K236-Y238 HydrophobicContact CD-CE2 4.19Å; K236-Y238 VanDerWaalsContact CD-OH 3.3Å; K236-Y238 WeakPolarHBondContact CD-OH 3.4Å; K236-Y238 VanDerWaalsContact CE-OH 3.24Å; K236-Y238 WeakPolarHBondContact CE-OH 3.24Å; K236-Y238 HydrophobicContact CG-CD2 4.47Å; K236-Y238 HydrophobicContact CG-CE2 3.7Å; K236-Y238 WeakPolarHBondContact O-CD2 3.29Å; Y238-T304 WeakPolarHBondContact CA-O 3.42Å; Y238-T304 HydrophobicContact CD1-CG2 3.3Å; Y238-T304 HydrophobicContact CD2-CG2 4.29Å; Y238-T304 HydrophobicContact CE1-CG2 3.38Å; Y238-T304 HydrophobicContact CE2-CG2 4.37Å; Y238-T304 HydrophobicContact CG-CG2 3.78Å
239	G	97.2	Very high	90.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	80.9	24.1	173	0	0	0	0	0	113.5	T86 S88 T304 S305	T86-G239 VanDerWaalsContact OG1-C 3.24Å; T86-G239 PolarHBondContact OG1-O 2.87Å; S88-G239 WeakPolarHBondContact CB-O 3.45Å; S88-G239 PolarHBondContact OG-O 2.86Å; G239-T304 PolarHBondContact N-O 3.47Å; G239-T304 VanDerWaalsContact N-O 3.13Å; G239-S305 WeakPolarHBondContact CA-O 3.26Å; G239-S305 PolarHBondContact N-O 3.01Å
240	M	97.3	Very high	88.8	Confident	13 Å²	13	40.9 Å²	40.9	6%	0.064	22%	0.222	C	C	.	.			trans	-112.3	123.4	177.6	-158.4	179.9	-74.4	0	0	110.1	T86 M225 V237 K289 F292 F303 P306 W308	T86-M240 HydrophobicContact CG2-CB 3.94Å; T86-M240 HydrophobicContact CG2-CE 3.57Å; T86-M240 HydrophobicContact CG2-CG 4.4Å; M225-M240 HydrophobicContact CE-CE 4.47Å; V237-M240 HydrophobicContact CG1-CB 3.9Å; V237-M240 HydrophobicContact CG1-CE 4.04Å; M240-K289 HydrophobicContact SD-CG 4.22Å; M240-F292 HydrophobicContact CE-CD2 4.31Å; M240-F292 HydrophobicContact CE-CE2 4.26Å; M240-F292 HydrophobicContact SD-CD2 3.84Å; M240-F292 HydrophobicContact SD-CE2 4.26Å; M240-F303 HydrophobicContact CB-CD1 4.09Å; M240-F303 HydrophobicContact CB-CE1 4.4Å; M240-F303 HydrophobicContact SD-CD1 4.39Å; M240-F303 HydrophobicContact SD-CE1 3.77Å; M240-P306 WeakPolarHBondContact O-CD 3.3Å; M240-W308 HydrophobicContact CB-CZ2 4.27Å; M240-W308 HydrophobicContact CG-CZ2 3.84Å; M240-W308 PolarHBondContact O-NE1 3.12Å; M240-W308 HydrophobicContact SD-CH2 4.16Å; M240-W308 HydrophobicContact SD-CZ2 3.85Å
241	V	95.1	Very high	87.2	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	26%	0.26	C	S	.	.			trans	-80.6	150.6	172.4	-63.5	0	0	0	0	111.7	H90 Y245 E267 Y271 K289 P306 W308	H90-V241 HydrophobicContact CB-CG1 4.41Å; H90-V241 WeakPolarHBondContact CE1-CG1 3.2Å; H90-V241 WeakPolarHBondContact ND1-CG1 3.45Å; H90-V241 WeakPolarHBondContact NE2-CG1 3.3Å; V241-Y245 HydrophobicContact CB-CD1 3.9Å; V241-Y245 HydrophobicContact CB-CD2 4.08Å; V241-Y245 HydrophobicContact CB-CG 3.65Å; V241-Y245 HydrophobicContact CG1-CD1 3.95Å; V241-Y245 HydrophobicContact CG1-CD2 4.09Å; V241-Y245 HydrophobicContact CG1-CE1 4.11Å; V241-Y245 HydrophobicContact CG1-CE2 4.25Å; V241-Y245 HydrophobicContact CG1-CG 3.95Å; V241-Y245 HydrophobicContact CG2-CD1 3.85Å; V241-Y245 HydrophobicContact CG2-CG 3.98Å; V241-E267 WeakPolarHBondContact CG2-OE2 3.42Å; V241-Y271 HydrophobicContact CG2-CE2 3.76Å; V241-K289 VanDerWaalsContact O-CD 3.32Å; V241-K289 WeakPolarHBondContact O-CD 3.25Å; V241-K289 WeakPolarHBondContact O-CE 3.36Å; V241-P306 HydrophobicContact CG1-CG 4.12Å; V241-W308 WeakPolarHBondContact O-CZ2 3.47Å
242	P	94.8	Very high	86	Confident	10 Å²	10	47.2 Å²	47.2	7%	0.065	28%	0.28	C	S	.	.			trans	-65.4	160.3	177.5	25.8	-34	0	0	0	112.7	N244 Y245 W308	P242-N244 PolarHBondContact O-N 3.26Å; P242-Y245 WeakPolarHBondContact O-CB 3.47Å; P242-Y245 PolarHBondContact O-N 2.87Å; P242-W308 VanDerWaalsContact CA-CE2 3.47Å; P242-W308 HydrophobicContact CB-CD2 4.02Å; P242-W308 HydrophobicContact CB-CG 4.12Å
243	P	92.6	Very high	85.1	Confident	16 Å²	16	55 Å²	55	10%	0.104	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.1	-176.4	22	-32.9	0	0	0	113.9	Y245 I286 K289 Q290	P243-Y245 VanDerWaalsContact C-N 3.35Å; P243-I286 HydrophobicContact CB-CG2 3.97Å; P243-I286 VanDerWaalsContact O-CG2 3.27Å; P243-I286 WeakPolarHBondContact O-CG2 2.94Å; P243-K289 HydrophobicContact CB-CB 3.89Å; P243-K289 HydrophobicContact CG-CB 4.47Å; P243-Q290 HydrophobicContact CB-CG 3.72Å; P243-Q290 HydrophobicContact CG-CG 4.17Å
244	N	90.1	Very high	84.6	Confident	42 Å²	42	60.7 Å²	60.7	23%	0.225	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	7.4	179.7	65.2	-11.7	0	0	0	114.3	P242 C246 G247 R248	P242-N244 PolarHBondContact O-N 3.26Å; N244-C246 PolarHBondContact O-N 2.83Å; N244-G247 PolarHBondContact O-N 2.7Å; N244-R248 PolarHBondContact ND2-NH2 2.83Å
245	Y	90.5	Very high	84.3	Confident	56 Å²	56	59.2 Å²	59.2	22%	0.22	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-57.2	-47.3	-176.9	-179.8	-104.7	0	0	0	112.8	H90 V241 P242 P243 G247 R248 C268	H90-Y245 AromaticContact CE1-CE1 3.93Å; H90-Y245 AromaticContact NE2-CE1 3.86Å; H90-Y245 AromaticContact NE2-CZ 3.48Å; H90-Y245 PolarHBondContact NE2-OH 2.91Å; V241-Y245 HydrophobicContact CB-CD1 3.9Å; V241-Y245 HydrophobicContact CB-CD2 4.08Å; V241-Y245 HydrophobicContact CB-CG 3.65Å; V241-Y245 HydrophobicContact CG1-CD1 3.95Å; V241-Y245 HydrophobicContact CG1-CD2 4.09Å; V241-Y245 HydrophobicContact CG1-CE1 4.11Å; V241-Y245 HydrophobicContact CG1-CE2 4.25Å; V241-Y245 HydrophobicContact CG1-CG 3.95Å; V241-Y245 HydrophobicContact CG2-CD1 3.85Å; V241-Y245 HydrophobicContact CG2-CG 3.98Å; P242-Y245 WeakPolarHBondContact O-CB 3.47Å; P242-Y245 PolarHBondContact O-N 2.87Å; P243-Y245 VanDerWaalsContact C-N 3.35Å; Y245-G247 VanDerWaalsContact C-N 3.25Å; Y245-G247 PolarHBondContact O-N 2.76Å; Y245-R248 PolarHBondContact O-N 3.41Å; Y245-C268 VanDerWaalsContact CD1-SG 3.54Å
246	C	88.5	Confident	84.2	Confident	28 Å²	28	60.5 Å²	60.5	19%	0.189	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-77.6	-5.5	-174.9	-58.8	0	0	0	0	114.9	N244 C268 L272	N244-C246 PolarHBondContact O-N 2.83Å; C246-C268 WeakPolarHBondContact CA-SG 3.43Å; C246-C268 HydrophobicContact CB-CB 3.64Å; C246-C268 WeakPolarHBondContact CB-SG 3.33Å; C246-C268 WeakPolarHBondContact SG-CA 3.34Å; C246-C268 WeakPolarHBondContact SG-CB 3.27Å; C246-C268 CovalentContact SG-SG 2.05Å; C246-C268 PolarHBondContact SG-SG 3.29Å; C246-L272 HydrophobicContact CB-CD1 4.43Å; C246-L272 HydrophobicContact CB-CG 4.4Å
247	G	76.6	Confident	84.1	Confident	70 Å²	70	59.7 Å²	59.7	72%	0.722	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-91.8	-3.7	172.1	0	0	0	0	0	113.6	N244 Y245	N244-G247 PolarHBondContact O-N 2.7Å; Y245-G247 VanDerWaalsContact C-N 3.25Å; Y245-G247 PolarHBondContact O-N 2.76Å
248	R	64	Low	84	Confident	115 Å²	115	61 Å²	61	43%	0.434	34%	0.338	S	S	.	.	S	Bend	trans	-99.3	124.4	-173.5	-71.4	176	172.7	175.7	-5.5	112.1	N244 Y245	N244-R248 PolarHBondContact ND2-NH2 2.83Å; Y245-R248 PolarHBondContact O-N 3.41Å
249	K	55	Low	84	Confident	179 Å²	179	61.2 Å²	61.2	78%	0.778	34%	0.339	S	S	*	.			trans	50.4	127.2	165.6	-66.9	-170	177.6	-174.6	0	117.8	G251	K249-G251 PolarHBondContact O-N 3.26Å
250	P	53.5	Low	83.9	Confident	138 Å²	138	62.6 Å²	62.6	90%	0.896	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	131	159.8	-8.6	19.6	0	0	0	109.9
251	G	59.3	Low	83.9	Confident	83 Å²	83	65.4 Å²	65.4	86%	0.856	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.1	4.9	174.8	0	0	0	0	0	116.8	K249	K249-G251 PolarHBondContact O-N 3.26Å
252	S	67.6	Low	83.7	Confident	65 Å²	65	69.9 Å²	69.9	46%	0.455	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-62.6	142.6	170	51.8	0	0	0	0	111.4	K254	S252-K254 PolarHBondContact O-N 2.8Å
253	K	76.4	Confident	83.6	Confident	165 Å²	165	81.4 Å²	81.4	72%	0.717	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-58.9	121.3	178.3	-177.9	-180	178.8	-177.8	0	109	M255	K253-M255 HydrophobicContact CD-SD 4Å; K253-M255 HydrophobicContact CG-SD 4.21Å; K253-M255 PolarHBondContact O-N 3.21Å
254	K	85.4	Confident	83.5	Confident	171 Å²	171	83.8 Å²	83.8	74%	0.743	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-64.1	125.9	172.5	-67.7	-174.7	-180	-179.1	0	109.2	S252 D266	S252-K254 PolarHBondContact O-N 2.8Å; K254-D266 VanDerWaalsContact CA-OD1 3.29Å; K254-D266 WeakPolarHBondContact CA-OD1 3.48Å; K254-D266 HydrophobicContact CB-CB 4.49Å; K254-D266 WeakPolarHBondContact CB-OD1 3.44Å
255	M	91.9	Very high	83.6	Confident	29 Å²	29	85 Å²	85	14%	0.143	45%	0.449	C	S	.	.			trans	-117.4	127.1	-177.6	-69.2	-65.3	-71.5	0	0	107.8	S89 K253 D266 E267	S89-M255 VanDerWaalsContact O-CE 3.28Å; S89-M255 WeakPolarHBondContact O-CE 3.49Å; K253-M255 HydrophobicContact CD-SD 4Å; K253-M255 HydrophobicContact CG-SD 4.21Å; K253-M255 PolarHBondContact O-N 3.21Å; M255-D266 PolarHBondContact N-OD1 3.44Å; M255-D266 VanDerWaalsContact N-OD1 3.11Å; M255-D266 CarbonylContact O-C 3.55Å; M255-D266 WeakPolarHBondContact O-CA 3.35Å; M255-E267 WeakPolarHBondContact O-CB 3.39Å; M255-E267 PolarHBondContact O-N 3.25Å
256	P	96	Very high	83.7	Confident	31 Å²	31	83.9 Å²	83.9	20%	0.201	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-55.6	147.5	175.5	-23.9	33.1	0	0	0	111.1	S89 H258	S89-P256 WeakPolarHBondContact CB-O 3.45Å; S89-P256 PolarHBondContact OG-O 2.93Å; P256-H258 VanDerWaalsContact C-N 3.29Å; P256-H258 PolarHBondContact O-N 3.44Å
257	Y	96.3	Very high	84	Confident	40 Å²	40	82.6 Å²	82.6	16%	0.157	44%	0.438	C	S	.	.	S	Bend	trans	-58.2	-40.2	-178.6	-177.8	-115.4	0	0	0	113.1	S88 S265 E267 T270 Y271 F285	S88-Y257 WeakPolarHBondContact CA-O 3.47Å; Y257-S265 WeakPolarHBondContact CB-O 3.23Å; Y257-S265 PolarHBondContact N-O 3.29Å; Y257-E267 HydrophobicContact CD2-CB 4.37Å; Y257-E267 HydrophobicContact CD2-CG 3.99Å; Y257-T270 HydrophobicContact CD1-CG2 4.2Å; Y257-T270 HydrophobicContact CD2-CG2 3.69Å; Y257-T270 HydrophobicContact CE1-CG2 4.32Å; Y257-T270 HydrophobicContact CE2-CG2 3.83Å; Y257-T270 HydrophobicContact CG-CG2 3.91Å; Y257-Y271 HydrophobicContact CD2-CE1 4.29Å; Y257-Y271 AromaticContact CE2-CD1 3.98Å; Y257-Y271 HydrophobicContact CE2-CD1 3.98Å; Y257-Y271 AromaticContact CE2-CE1 3.48Å; Y257-Y271 HydrophobicContact CE2-CE1 3.48Å; Y257-Y271 VanDerWaalsContact CE2-CE1 3.48Å; Y257-F285 VanDerWaalsContact OH-CZ 3.31Å; Y257-F285 WeakPolarHBondContact OH-CZ 3.08Å
258	H	97.8	Very high	84.8	Confident	28 Å²	28	80.2 Å²	80.2	13%	0.13	41%	0.41	C	S	.	.	S	Bend	trans	-117.2	139.5	175.1	-63	122.3	0	0	0	113.7	S87 S89 P256 Y260 K261 E264	S87-H258 WeakPolarHBondContact CB-CD2 3.31Å; S87-H258 CarbonylContact O-C 3.13Å; S87-H258 WeakPolarHBondContact O-CA 3.26Å; S89-H258 PolarHBondContact OG-O 3.08Å; P256-H258 VanDerWaalsContact C-N 3.29Å; P256-H258 PolarHBondContact O-N 3.44Å; H258-Y260 HydrophobicContact CB-CD1 4.02Å; H258-Y260 HydrophobicContact CB-CE1 3.78Å; H258-Y260 HydrophobicContact CB-CE2 4.49Å; H258-Y260 HydrophobicContact CB-CG 4.47Å; H258-Y260 AromaticContact CG-CZ 3.99Å; H258-Y260 PolarHBondContact O-N 3.39Å; H258-Y260 VanDerWaalsContact O-N 3.09Å; H258-K261 HydrophobicContact CB-CB 4.23Å; H258-K261 HydrophobicContact CB-CG 4.41Å; H258-K261 PolarHBondContact O-N 2.67Å; H258-K261 VanDerWaalsContact O-N 3.08Å; H258-E264 WeakPolarHBondContact CB-OE2 3.2Å; H258-E264 IonicContact CE1-OE1 3.52Å; H258-E264 IonicContact CE1-OE2 3.04Å; H258-E264 IonicContact CG-OE2 2.83Å; H258-E264 PolarHBondContact N-OE2 2.63Å; H258-E264 IonicContact ND1-OE1 3.32Å; H258-E264 PolarHBondContact ND1-OE1 3.43Å; H258-E264 IonicContact ND1-OE2 2.85Å; H258-E264 PolarHBondContact ND1-OE2 2.87Å
259	Y	97.6	Very high	86.2	Confident	5 Å²	5	77.5 Å²	77.5	2%	0.02	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.2	179.6	65.2	-106.5	0	0	0	113.6	S87 S89 V91 A112 P113 Y117 V121	S87-Y259 VanDerWaalsContact O-CD1 3.26Å; S87-Y259 WeakPolarHBondContact O-CD1 3.38Å; S87-Y259 PolarHBondContact O-N 3.47Å; S89-Y259 WeakPolarHBondContact OG-CA 3.21Å; S89-Y259 PolarHBondContact OG-N 2.92Å; V91-Y259 HydrophobicContact CG1-CD1 3.7Å; V91-Y259 HydrophobicContact CG1-CE1 4.36Å; V91-Y259 HydrophobicContact CG1-CG 4.03Å; A112-Y259 HydrophobicContact CB-CE1 4.33Å; A112-Y259 WeakPolarHBondContact CB-OH 3.42Å; P113-Y259 HydrophobicContact CG-CE2 4.33Å; P113-Y259 WeakPolarHBondContact O-CE2 3.42Å; P113-Y259 PolarHBondContact O-OH 3.36Å; Y117-Y259 AromaticContact CD1-CD2 3.76Å; Y117-Y259 HydrophobicContact CD1-CD2 3.76Å; Y117-Y259 HydrophobicContact CD1-CE2 4.33Å; Y117-Y259 HydrophobicContact CD2-CD2 4.03Å; Y117-Y259 AromaticContact CD2-CE2 3.87Å; Y117-Y259 HydrophobicContact CD2-CE2 3.87Å; Y117-Y259 HydrophobicContact CE1-CD2 4.02Å; Y117-Y259 VanDerWaalsContact CE1-O 3.29Å; Y117-Y259 WeakPolarHBondContact CE1-O 3.26Å; Y117-Y259 HydrophobicContact CE2-CD2 4.3Å; Y117-Y259 HydrophobicContact CE2-CE2 4.39Å; Y117-Y259 AromaticContact CG-CD2 3.77Å; Y117-Y259 HydrophobicContact CG-CD2 3.77Å; Y117-Y259 AromaticContact CG-CE2 3.87Å; Y117-Y259 HydrophobicContact CG-CE2 3.87Å; V121-Y259 HydrophobicContact CG1-CE1 4.24Å; V121-Y259 HydrophobicContact CG1-CE2 4.31Å
260	Y	96.2	Very high	88	Confident	29 Å²	29	69.8 Å²	69.8	11%	0.114	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	8.1	-177	56.7	-84.4	0	0	0	113.7	A112 P113 Y117 H258	A112-Y260 HydrophobicContact CB-CD1 4.45Å; A112-Y260 HydrophobicContact CB-CE1 3.76Å; P113-Y260 VanDerWaalsContact CD-CD1 3.43Å; P113-Y260 HydrophobicContact CG-CD1 4.4Å; P113-Y260 HydrophobicContact CG-CD2 4.27Å; P113-Y260 HydrophobicContact CG-CG 3.86Å; Y117-Y260 WeakPolarHBondContact OH-CA 3.42Å; H258-Y260 HydrophobicContact CB-CD1 4.02Å; H258-Y260 HydrophobicContact CB-CE1 3.78Å; H258-Y260 HydrophobicContact CB-CE2 4.49Å; H258-Y260 HydrophobicContact CB-CG 4.47Å; H258-Y260 AromaticContact CG-CZ 3.99Å; H258-Y260 PolarHBondContact O-N 3.39Å; H258-Y260 VanDerWaalsContact O-N 3.09Å
261	K	95.8	Very high	90	Very high	72 Å²	72	63.9 Å²	63.9	31%	0.313	34%	0.335	S	S	.	.			trans	-134.5	74.2	176.6	-63	-177	179.8	169.8	0	110.1	H258 R263 E264	H258-K261 HydrophobicContact CB-CB 4.23Å; H258-K261 HydrophobicContact CB-CG 4.41Å; H258-K261 PolarHBondContact O-N 2.67Å; H258-K261 VanDerWaalsContact O-N 3.08Å; K261-R263 PolarHBondContact O-N 3.24Å; K261-E264 HydrophobicContact CB-CB 3.89Å; K261-E264 VanDerWaalsContact O-CB 3.31Å; K261-E264 WeakPolarHBondContact O-CB 3.34Å; K261-E264 PolarHBondContact O-N 3.45Å
262	P	91.1	Very high	91.6	Very high	96 Å²	96	63 Å²	63	62%	0.623	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.1	-174.2	26	-35.6	0	0	0	114.3
263	R	92.4	Very high	92.8	Very high	251 Å²	251	65.7 Å²	65.7	95%	0.947	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	4.8	177.4	-61	-176.3	179.6	155.3	-0.2	113.8	K261	K261-R263 PolarHBondContact O-N 3.24Å
264	E	92.2	Very high	93.7	Very high	67 Å²	67	59.2 Å²	59.2	31%	0.313	29%	0.289	S	S	.	.	S	Bend	trans	-74.5	165.7	175.7	-167	168.2	-147.2	0	0	111.1	H258 K261	H258-E264 WeakPolarHBondContact CB-OE2 3.2Å; H258-E264 IonicContact CE1-OE1 3.52Å; H258-E264 IonicContact CE1-OE2 3.04Å; H258-E264 IonicContact CG-OE2 2.83Å; H258-E264 PolarHBondContact N-OE2 2.63Å; H258-E264 IonicContact ND1-OE1 3.32Å; H258-E264 PolarHBondContact ND1-OE1 3.43Å; H258-E264 IonicContact ND1-OE2 2.85Å; H258-E264 PolarHBondContact ND1-OE2 2.87Å; K261-E264 HydrophobicContact CB-CB 3.89Å; K261-E264 VanDerWaalsContact O-CB 3.31Å; K261-E264 WeakPolarHBondContact O-CB 3.34Å; K261-E264 PolarHBondContact O-N 3.45Å
265	S	91	Very high	94.1	Very high	66 Å²	66	51.9 Å²	51.9	46%	0.462	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-51.5	150	171.4	-59.2	0	0	0	0	112	Y257	Y257-S265 WeakPolarHBondContact CB-O 3.23Å; Y257-S265 PolarHBondContact N-O 3.29Å
266	D	93.2	Very high	94.1	Very high	33 Å²	33	56 Å²	56	18%	0.176	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-55.5	143.3	170	167.9	78.7	0	0	0	111.5	K254 M255 C268 T269 T270	K254-D266 VanDerWaalsContact CA-OD1 3.29Å; K254-D266 WeakPolarHBondContact CA-OD1 3.48Å; K254-D266 HydrophobicContact CB-CB 4.49Å; K254-D266 WeakPolarHBondContact CB-OD1 3.44Å; M255-D266 PolarHBondContact N-OD1 3.44Å; M255-D266 VanDerWaalsContact N-OD1 3.11Å; M255-D266 CarbonylContact O-C 3.55Å; M255-D266 WeakPolarHBondContact O-CA 3.35Å; D266-C268 PolarHBondContact O-N 2.62Å; D266-C268 WeakPolarHBondContact OD2-CB 3.15Å; D266-C268 PolarHBondContact OD2-N 3.2Å; D266-T269 PolarHBondContact O-N 3.34Å; D266-T269 PolarHBondContact OD2-N 3.41Å; D266-T269 PolarHBondContact OD2-OG1 3.28Å; D266-T270 PolarHBondContact O-N 2.97Å; D266-T270 PolarHBondContact O-OG1 3.22Å
267	E	94.1	Very high	93.8	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-46.6	-175.4	-179.4	179.3	-125.5	0	0	111.3	S88 H90 V241 M255 Y257 T270 Y271	S88-E267 WeakPolarHBondContact CB-OE1 3.34Å; S88-E267 PolarHBondContact OG-OE1 3.47Å; H90-E267 IonicContact CE1-OE2 3.81Å; H90-E267 PolarHBondContact CE1-OE2 2.91Å; H90-E267 IonicContact ND1-OE2 3.62Å; H90-E267 PolarHBondContact ND1-OE2 3.22Å; V241-E267 WeakPolarHBondContact CG2-OE2 3.42Å; M255-E267 WeakPolarHBondContact O-CB 3.39Å; M255-E267 PolarHBondContact O-N 3.25Å; Y257-E267 HydrophobicContact CD2-CB 4.37Å; Y257-E267 HydrophobicContact CD2-CG 3.99Å; E267-T270 WeakPolarHBondContact O-CB 3.33Å; E267-T270 PolarHBondContact O-N 2.87Å; E267-Y271 VanDerWaalsContact CD-CE2 3.42Å; E267-Y271 HydrophobicContact CG-CD2 3.88Å; E267-Y271 HydrophobicContact CG-CE1 4.26Å; E267-Y271 HydrophobicContact CG-CE2 3.32Å; E267-Y271 HydrophobicContact CG-CG 4.47Å; E267-Y271 VanDerWaalsContact CG-CZ 3.5Å; E267-Y271 PolarHBondContact O-N 2.77Å; E267-Y271 PolarHBondContact OE1-OH 3.39Å
268	C	93.4	Very high	93.3	Very high	20 Å²	20	65.8 Å²	65.8	14%	0.135	32%	0.317	C	S	.	.	H	α-helix	trans	-69.2	-38.2	-178.6	-80.6	0	0	0	0	112.4	Y245 C246 D266 T270 Y271 L272	Y245-C268 VanDerWaalsContact CD1-SG 3.54Å; C246-C268 WeakPolarHBondContact CA-SG 3.43Å; C246-C268 HydrophobicContact CB-CB 3.64Å; C246-C268 WeakPolarHBondContact CB-SG 3.33Å; C246-C268 WeakPolarHBondContact SG-CA 3.34Å; C246-C268 WeakPolarHBondContact SG-CB 3.27Å; C246-C268 CovalentContact SG-SG 2.05Å; C246-C268 PolarHBondContact SG-SG 3.29Å; D266-C268 PolarHBondContact O-N 2.62Å; D266-C268 WeakPolarHBondContact OD2-CB 3.15Å; D266-C268 PolarHBondContact OD2-N 3.2Å; C268-T270 VanDerWaalsContact C-N 3.3Å; C268-T270 PolarHBondContact O-N 3.3Å; C268-Y271 PolarHBondContact O-N 2.78Å; C268-L272 WeakPolarHBondContact O-CB 3.45Å; C268-L272 VanDerWaalsContact O-CG 3.29Å; C268-L272 WeakPolarHBondContact O-CG 3.48Å; C268-L272 PolarHBondContact O-N 3.02Å
269	T	93.2	Very high	92.4	Very high	59 Å²	59	74.7 Å²	74.7	36%	0.362	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-47.1	171.3	-56.5	0	0	0	0	110.5	D266 Y271 Q273	D266-T269 PolarHBondContact O-N 3.34Å; D266-T269 PolarHBondContact OD2-N 3.41Å; D266-T269 PolarHBondContact OD2-OG1 3.28Å; T269-Y271 PolarHBondContact O-N 3.44Å; T269-Q273 HydrophobicContact CG2-CG 4.43Å; T269-Q273 VanDerWaalsContact O-CB 3.3Å; T269-Q273 WeakPolarHBondContact O-CB 3.32Å; T269-Q273 WeakPolarHBondContact O-CG 3.36Å; T269-Q273 PolarHBondContact O-N 3.36Å
270	T	94.4	Very high	91	Very high	17 Å²	17	76.1 Å²	76.1	10%	0.104	37%	0.366	C	S	.	.	H	α-helix	trans	-62.3	-44.4	178.2	-57.6	0	0	0	0	112	Y257 D266 E267 C268 N274 F285	Y257-T270 HydrophobicContact CD1-CG2 4.2Å; Y257-T270 HydrophobicContact CD2-CG2 3.69Å; Y257-T270 HydrophobicContact CE1-CG2 4.32Å; Y257-T270 HydrophobicContact CE2-CG2 3.83Å; Y257-T270 HydrophobicContact CG-CG2 3.91Å; D266-T270 PolarHBondContact O-N 2.97Å; D266-T270 PolarHBondContact O-OG1 3.22Å; E267-T270 WeakPolarHBondContact O-CB 3.33Å; E267-T270 PolarHBondContact O-N 2.87Å; C268-T270 VanDerWaalsContact C-N 3.3Å; C268-T270 PolarHBondContact O-N 3.3Å; T270-N274 WeakPolarHBondContact O-CB 3.41Å; T270-N274 PolarHBondContact O-N 2.93Å; T270-N274 VanDerWaalsContact O-N 3.13Å; T270-N274 PolarHBondContact O-ND2 3.46Å; T270-F285 HydrophobicContact CG2-CE2 4.47Å
271	Y	94.8	Very high	90.2	Very high	14 Å²	14	82.5 Å²	82.5	6%	0.055	40%	0.396	C	S	.	.	H	α-helix	trans	-62.4	-51.7	177.6	-72.9	-20.3	0	0	0	112.3	V241 Y257 E267 C268 T269 Q273 N274 E275 F285 K289	V241-Y271 HydrophobicContact CG2-CE2 3.76Å; Y257-Y271 HydrophobicContact CD2-CE1 4.29Å; Y257-Y271 AromaticContact CE2-CD1 3.98Å; Y257-Y271 HydrophobicContact CE2-CD1 3.98Å; Y257-Y271 AromaticContact CE2-CE1 3.48Å; Y257-Y271 HydrophobicContact CE2-CE1 3.48Å; Y257-Y271 VanDerWaalsContact CE2-CE1 3.48Å; E267-Y271 VanDerWaalsContact CD-CE2 3.42Å; E267-Y271 HydrophobicContact CG-CD2 3.88Å; E267-Y271 HydrophobicContact CG-CE1 4.26Å; E267-Y271 HydrophobicContact CG-CE2 3.32Å; E267-Y271 HydrophobicContact CG-CG 4.47Å; E267-Y271 VanDerWaalsContact CG-CZ 3.5Å; E267-Y271 PolarHBondContact O-N 2.77Å; E267-Y271 PolarHBondContact OE1-OH 3.39Å; C268-Y271 PolarHBondContact O-N 2.78Å; T269-Y271 PolarHBondContact O-N 3.44Å; Y271-Q273 PolarHBondContact O-N 2.82Å; Y271-N274 PolarHBondContact O-N 3.07Å; Y271-E275 VanDerWaalsContact O-CB 3.24Å; Y271-E275 WeakPolarHBondContact O-CB 3.41Å; Y271-E275 PolarHBondContact O-N 2.91Å; Y271-F285 HydrophobicContact CD1-CB 3.58Å; Y271-F285 AromaticContact CD1-CD2 3.49Å; Y271-F285 HydrophobicContact CD1-CD2 3.49Å; Y271-F285 VanDerWaalsContact CD1-CD2 3.49Å; Y271-F285 HydrophobicContact CD1-CE2 4.22Å; Y271-F285 AromaticContact CD1-CG 3.69Å; Y271-F285 HydrophobicContact CD1-CG 3.69Å; Y271-F285 HydrophobicContact CE1-CB 3.89Å; Y271-F285 HydrophobicContact CE1-CD1 4.48Å; Y271-F285 HydrophobicContact CE1-CD2 4.08Å; Y271-F285 AromaticContact CE1-CG 3.93Å; Y271-F285 HydrophobicContact CE1-CG 3.93Å; Y271-F285 HydrophobicContact CG-CB 4.28Å; Y271-K289 VanDerWaalsContact CE1-NZ 3.3Å; Y271-K289 PolarHBondContact OH-NZ 3.44Å; Y271-K289 VanDerWaalsContact OH-NZ 3.11Å
272	L	93.5	Very high	90	Very high	64 Å²	64	79.1 Å²	79.1	34%	0.335	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-39.9	-177.4	-67.7	171.4	0	0	0	111.9	C246 C268 N274 E275 N276 I286	C246-L272 HydrophobicContact CB-CD1 4.43Å; C246-L272 HydrophobicContact CB-CG 4.4Å; C268-L272 WeakPolarHBondContact O-CB 3.45Å; C268-L272 VanDerWaalsContact O-CG 3.29Å; C268-L272 WeakPolarHBondContact O-CG 3.48Å; C268-L272 PolarHBondContact O-N 3.02Å; L272-N274 VanDerWaalsContact C-N 3.35Å; L272-N274 PolarHBondContact O-N 3.4Å; L272-E275 PolarHBondContact O-N 3.07Å; L272-N276 VanDerWaalsContact O-CB 3.3Å; L272-N276 WeakPolarHBondContact O-CB 3.49Å; L272-N276 PolarHBondContact O-N 3.47Å; L272-N276 PolarHBondContact O-ND2 3.34Å; L272-I286 HydrophobicContact CD2-CD1 4.01Å
273	Q	93.3	Very high	90.2	Very high	121 Å²	121	76.8 Å²	76.8	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-59.9	-45	174.8	-76.5	176	-8.5	0	0	111.7	T269 Y271 N277	T269-Q273 HydrophobicContact CG2-CG 4.43Å; T269-Q273 VanDerWaalsContact O-CB 3.3Å; T269-Q273 WeakPolarHBondContact O-CB 3.32Å; T269-Q273 WeakPolarHBondContact O-CG 3.36Å; T269-Q273 PolarHBondContact O-N 3.36Å; Y271-Q273 PolarHBondContact O-N 2.82Å; Q273-N277 WeakPolarHBondContact O-CB 3.38Å; Q273-N277 PolarHBondContact O-N 3.16Å
274	N	94.7	Very high	90.3	Very high	30 Å²	30	65.9 Å²	65.9	16%	0.16	32%	0.321	C	S	.	.	H	α-helix	trans	-69.9	-44.3	178.4	-84.7	-91.1	0	0	0	112.2	T270 Y271 L272 N276 N277 H282 H283 F285	T270-N274 WeakPolarHBondContact O-CB 3.41Å; T270-N274 PolarHBondContact O-N 2.93Å; T270-N274 VanDerWaalsContact O-N 3.13Å; T270-N274 PolarHBondContact O-ND2 3.46Å; Y271-N274 PolarHBondContact O-N 3.07Å; L272-N274 VanDerWaalsContact C-N 3.35Å; L272-N274 PolarHBondContact O-N 3.4Å; N274-N276 VanDerWaalsContact C-N 3.31Å; N274-N276 PolarHBondContact O-N 2.8Å; N274-N277 PolarHBondContact O-N 2.72Å; N274-H282 PolarHBondContact O-ND1 3.03Å; N274-H282 WeakPolarHBondContact OD1-CA 3.38Å; N274-H283 CarbonylContact C-O 3.58Å; N274-H283 WeakPolarHBondContact CB-O 3.3Å; N274-H283 PolarHBondContact OD1-N 3.2Å; N274-H283 VanDerWaalsContact OD1-N 3.11Å; N274-F285 HydrophobicContact CB-CD2 3.65Å; N274-F285 HydrophobicContact CB-CE2 3.64Å
275	E	94	Very high	90.5	Very high	17 Å²	17	63.3 Å²	63.3	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-34.5	-177.6	-167.6	65.6	-139.4	0	0	112.2	Y271 L272 R284 F285 I286 T287	Y271-E275 VanDerWaalsContact O-CB 3.24Å; Y271-E275 WeakPolarHBondContact O-CB 3.41Å; Y271-E275 PolarHBondContact O-N 2.91Å; L272-E275 PolarHBondContact O-N 3.07Å; E275-R284 PolarHBondContact O-NH1 2.86Å; E275-R284 VanDerWaalsContact OE2-CA 3.25Å; E275-R284 WeakPolarHBondContact OE2-CA 3.33Å; E275-F285 PolarHBondContact OE2-N 3.27Å; E275-F285 VanDerWaalsContact OE2-N 3.12Å; E275-I286 HydrophobicContact CB-CD1 4.2Å; E275-I286 HydrophobicContact CB-CG1 4.46Å; E275-I286 HydrophobicContact CG-CB 4.08Å; E275-I286 HydrophobicContact CG-CD1 4.13Å; E275-I286 HydrophobicContact CG-CG1 4.31Å; E275-I286 WeakPolarHBondContact OE2-CA 3.42Å; E275-I286 WeakPolarHBondContact OE2-CB 3.34Å; E275-I286 PolarHBondContact OE2-N 3.04Å; E275-T287 PolarHBondContact OE1-OG1 2.72Å; E275-T287 PolarHBondContact OE2-N 3.41Å
276	N	91.5	Very high	90.7	Very high	114 Å²	114	60.4 Å²	60.4	61%	0.61	29%	0.288	S	S	*	.	H	α-helix	trans	-93.5	-11.2	-177.2	-67.3	-27.3	0	0	0	113.8	L272 N274	L272-N276 VanDerWaalsContact O-CB 3.3Å; L272-N276 WeakPolarHBondContact O-CB 3.49Å; L272-N276 PolarHBondContact O-N 3.47Å; L272-N276 PolarHBondContact O-ND2 3.34Å; N274-N276 VanDerWaalsContact C-N 3.31Å; N274-N276 PolarHBondContact O-N 2.8Å
277	N	90.4	Very high	90.8	Very high	62 Å²	62	59.3 Å²	59.3	33%	0.332	28%	0.283	S	S	.	.			trans	-66.1	145.2	-178.5	-162	-6.9	0	0	0	111.3	Q273 N274 R279 H282 R284	Q273-N277 WeakPolarHBondContact O-CB 3.38Å; Q273-N277 PolarHBondContact O-N 3.16Å; N274-N277 PolarHBondContact O-N 2.72Å; N277-R279 VanDerWaalsContact CG-O 3.26Å; N277-R279 PolarHBondContact ND2-O 3.47Å; N277-R279 PolarHBondContact OD1-N 2.99Å; N277-R279 PolarHBondContact OD1-O 3.29Å; N277-R279 VanDerWaalsContact OD1-O 3.13Å; N277-H282 HydrophobicContact CB-CB 3.79Å; N277-H282 PolarHBondContact O-CE1 3.13Å; N277-H282 VanDerWaalsContact O-CE1 3.3Å; N277-R284 PolarHBondContact O-NH1 2.79Å; N277-R284 PolarHBondContact O-NH2 3.24Å
278	R	85.1	Confident	90.9	Very high	216 Å²	216	59.4 Å²	59.4	82%	0.815	28%	0.283	S	S	*	.			trans	-118.9	-6.6	179	-59.9	-174.6	-179.2	-174.9	0.1	112.6
279	R	78.2	Confident	91.1	Very high	214 Å²	214	59 Å²	59	81%	0.808	28%	0.279	S	S	*	.	S	Bend	trans	-114.5	138	179.2	-64.5	-177.9	179.8	163.6	0.4	108.6	N277 H282	N277-R279 VanDerWaalsContact CG-O 3.26Å; N277-R279 PolarHBondContact ND2-O 3.47Å; N277-R279 PolarHBondContact OD1-N 2.99Å; N277-R279 PolarHBondContact OD1-O 3.29Å; N277-R279 VanDerWaalsContact OD1-O 3.13Å; R279-H282 PolarHBondContact O-CD2 2.78Å
280	G	68.9	Low	91.2	Very high	36 Å²	36	59 Å²	59	37%	0.371	28%	0.275	S	S	.	.	S	Bend	trans	-52.9	168.8	-161.1	0	0	0	0	0	117.7	H215	H215-G280 WeakPolarHBondContact O-CA 3.36Å
281	H	79.3	Confident	91.3	Very high	163 Å²	163	58.2 Å²	58.2	76%	0.755	27%	0.27	S	S	*	.	S	Bend	trans	74.7	33	-173.6	-52.9	-79.7	0	0	0	115.7
282	H	91.6	Very high	91.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-121.5	162.7	173.5	65.2	95	0	0	0	111.6	S214 S216 W217 N274 N277 R279 R284	S214-H282 PolarHBondContact O-NE2 3.13Å; S216-H282 WeakPolarHBondContact CA-O 3.31Å; W217-H282 PolarHBondContact N-O 3.32Å; N274-H282 PolarHBondContact O-ND1 3.03Å; N274-H282 WeakPolarHBondContact OD1-CA 3.38Å; N277-H282 HydrophobicContact CB-CB 3.79Å; N277-H282 PolarHBondContact O-CE1 3.13Å; N277-H282 VanDerWaalsContact O-CE1 3.3Å; R279-H282 PolarHBondContact O-CD2 2.78Å; H282-R284 PolarHBondContact CE1-NH2 3.17Å; H282-R284 VanDerWaalsContact CE1-NH2 3.29Å
283	H	94.9	Very high	91.4	Very high	48 Å²	48	54.9 Å²	54.9	22%	0.222	25%	0.254	C	S	.	.			trans	-109.8	164.9	177	-60.2	-67.5	0	0	0	111.5	W217 N274 F285	W217-H283 PolarHBondContact O-ND1 3.31Å; N274-H283 CarbonylContact C-O 3.58Å; N274-H283 WeakPolarHBondContact CB-O 3.3Å; N274-H283 PolarHBondContact OD1-N 3.2Å; N274-H283 VanDerWaalsContact OD1-N 3.11Å; H283-F285 HydrophobicContact CB-CD1 3.78Å; H283-F285 HydrophobicContact CB-CD2 4.05Å; H283-F285 HydrophobicContact CB-CE1 3.51Å; H283-F285 HydrophobicContact CB-CE2 3.84Å; H283-F285 HydrophobicContact CB-CG 4.06Å; H283-F285 HydrophobicContact CB-CZ 3.57Å; H283-F285 AromaticContact CD2-CE1 3.85Å; H283-F285 AromaticContact CD2-CZ 3.41Å; H283-F285 VanDerWaalsContact CD2-CZ 3.41Å; H283-F285 WeakPolarHBondContact CD2-CZ 3.43Å; H283-F285 AromaticContact CG-CE1 3.74Å; H283-F285 AromaticContact CG-CZ 3.69Å
284	R	95.3	Very high	91.4	Very high	21 Å²	21	53.7 Å²	53.7	8%	0.079	24%	0.244	C	C	.	.			trans	-110.8	59.9	173	-59.8	-67.5	-168.7	-156.9	-5.3	109.9	F203 E275 N277 H282 I286 T287 E288	F203-R284 HydrophobicContact CZ-CB 4.15Å; F203-R284 HydrophobicContact CZ-CG 4.36Å; E275-R284 PolarHBondContact O-NH1 2.86Å; E275-R284 VanDerWaalsContact OE2-CA 3.25Å; E275-R284 WeakPolarHBondContact OE2-CA 3.33Å; N277-R284 PolarHBondContact O-NH1 2.79Å; N277-R284 PolarHBondContact O-NH2 3.24Å; H282-R284 PolarHBondContact CE1-NH2 3.17Å; H282-R284 VanDerWaalsContact CE1-NH2 3.29Å; R284-I286 VanDerWaalsContact C-N 3.27Å; R284-I286 PolarHBondContact O-N 3.19Å; R284-T287 PolarHBondContact O-N 2.89Å; R284-E288 WeakPolarHBondContact O-CB 2.97Å; R284-E288 VanDerWaalsContact O-CG 3.28Å; R284-E288 WeakPolarHBondContact O-CG 3.25Å; R284-E288 PolarHBondContact O-N 2.85Å
285	F	95.7	Very high	91.4	Very high	14 Å²	14	52.3 Å²	52.3	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-35	-170.1	-64.1	-56.9	0	0	0	114.1	Y257 T270 Y271 N274 E275 H283 K289	Y257-F285 VanDerWaalsContact OH-CZ 3.31Å; Y257-F285 WeakPolarHBondContact OH-CZ 3.08Å; T270-F285 HydrophobicContact CG2-CE2 4.47Å; Y271-F285 HydrophobicContact CD1-CB 3.58Å; Y271-F285 AromaticContact CD1-CD2 3.49Å; Y271-F285 HydrophobicContact CD1-CD2 3.49Å; Y271-F285 VanDerWaalsContact CD1-CD2 3.49Å; Y271-F285 HydrophobicContact CD1-CE2 4.22Å; Y271-F285 AromaticContact CD1-CG 3.69Å; Y271-F285 HydrophobicContact CD1-CG 3.69Å; Y271-F285 HydrophobicContact CE1-CB 3.89Å; Y271-F285 HydrophobicContact CE1-CD1 4.48Å; Y271-F285 HydrophobicContact CE1-CD2 4.08Å; Y271-F285 AromaticContact CE1-CG 3.93Å; Y271-F285 HydrophobicContact CE1-CG 3.93Å; Y271-F285 HydrophobicContact CG-CB 4.28Å; N274-F285 HydrophobicContact CB-CD2 3.65Å; N274-F285 HydrophobicContact CB-CE2 3.64Å; E275-F285 PolarHBondContact OE2-N 3.27Å; E275-F285 VanDerWaalsContact OE2-N 3.12Å; H283-F285 HydrophobicContact CB-CD1 3.78Å; H283-F285 HydrophobicContact CB-CD2 4.05Å; H283-F285 HydrophobicContact CB-CE1 3.51Å; H283-F285 HydrophobicContact CB-CE2 3.84Å; H283-F285 HydrophobicContact CB-CG 4.06Å; H283-F285 HydrophobicContact CB-CZ 3.57Å; H283-F285 AromaticContact CD2-CE1 3.85Å; H283-F285 AromaticContact CD2-CZ 3.41Å; H283-F285 VanDerWaalsContact CD2-CZ 3.41Å; H283-F285 WeakPolarHBondContact CD2-CZ 3.43Å; H283-F285 AromaticContact CG-CE1 3.74Å; H283-F285 AromaticContact CG-CZ 3.69Å; F285-K289 VanDerWaalsContact O-CG 3.26Å; F285-K289 WeakPolarHBondContact O-CG 3.43Å; F285-K289 PolarHBondContact O-N 3.29Å
286	I	95.3	Very high	91.4	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-78.4	-43.5	179.4	-57.8	175.2	0	0	0	109.3	Y41 P243 L272 E275 R284 E288 K289 Q290	Y41-I286 WeakPolarHBondContact OH-CG2 3.19Å; P243-I286 HydrophobicContact CB-CG2 3.97Å; P243-I286 VanDerWaalsContact O-CG2 3.27Å; P243-I286 WeakPolarHBondContact O-CG2 2.94Å; L272-I286 HydrophobicContact CD2-CD1 4.01Å; E275-I286 HydrophobicContact CB-CD1 4.2Å; E275-I286 HydrophobicContact CB-CG1 4.46Å; E275-I286 HydrophobicContact CG-CB 4.08Å; E275-I286 HydrophobicContact CG-CD1 4.13Å; E275-I286 HydrophobicContact CG-CG1 4.31Å; E275-I286 WeakPolarHBondContact OE2-CA 3.42Å; E275-I286 WeakPolarHBondContact OE2-CB 3.34Å; E275-I286 PolarHBondContact OE2-N 3.04Å; R284-I286 VanDerWaalsContact C-N 3.27Å; R284-I286 PolarHBondContact O-N 3.19Å; I286-E288 VanDerWaalsContact C-N 3.33Å; I286-E288 PolarHBondContact O-N 2.84Å; I286-K289 PolarHBondContact O-N 3.28Å; I286-K289 VanDerWaalsContact O-N 3.16Å; I286-Q290 WeakPolarHBondContact O-CG 3.2Å; I286-Q290 PolarHBondContact O-N 2.77Å
287	T	95.3	Very high	91.3	Very high	10 Å²	10	53.7 Å²	53.7	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-56.4	-46.4	173.4	-63.3	0	0	0	0	111.2	F203 T207 E275 R284 K289 Q290 V291	F203-T287 HydrophobicContact CE2-CG2 4.34Å; F203-T287 HydrophobicContact CZ-CG2 4.14Å; T207-T287 HydrophobicContact CG2-CG2 3.49Å; T207-T287 VanDerWaalsContact CG2-CG2 3.49Å; E275-T287 PolarHBondContact OE1-OG1 2.72Å; E275-T287 PolarHBondContact OE2-N 3.41Å; R284-T287 PolarHBondContact O-N 2.89Å; T287-K289 VanDerWaalsContact C-N 3.34Å; T287-K289 PolarHBondContact O-N 3.27Å; T287-Q290 WeakPolarHBondContact O-CB 3.48Å; T287-Q290 PolarHBondContact O-N 3.38Å; T287-V291 PolarHBondContact O-N 2.82Å
288	E	97.3	Very high	91.3	Very high	4 Å²	4	54 Å²	54	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-44.3	176.2	-71.1	174.6	-173.9	0	0	111.7	F203 S219 W222 R284 I286 Q290 V291 F292	F203-E288 HydrophobicContact CD2-CG 4.44Å; F203-E288 HydrophobicContact CE2-CG 3.87Å; S219-E288 WeakPolarHBondContact CB-OE2 2.98Å; S219-E288 PolarHBondContact N-OE1 3.44Å; S219-E288 PolarHBondContact OG-OE2 3.31Å; W222-E288 HydrophobicContact CB-CG 4.39Å; W222-E288 HydrophobicContact CD2-CG 4.47Å; W222-E288 HydrophobicContact CE3-CB 4.07Å; W222-E288 HydrophobicContact CE3-CG 3.77Å; W222-E288 HydrophobicContact CZ3-CG 4.48Å; R284-E288 WeakPolarHBondContact O-CB 2.97Å; R284-E288 VanDerWaalsContact O-CG 3.28Å; R284-E288 WeakPolarHBondContact O-CG 3.25Å; R284-E288 PolarHBondContact O-N 2.85Å; I286-E288 VanDerWaalsContact C-N 3.33Å; I286-E288 PolarHBondContact O-N 2.84Å; E288-Q290 VanDerWaalsContact C-N 3.33Å; E288-Q290 PolarHBondContact O-N 2.8Å; E288-V291 WeakPolarHBondContact O-CB 3.46Å; E288-V291 PolarHBondContact O-N 3.42Å; E288-V291 VanDerWaalsContact O-N 3.12Å; E288-F292 HydrophobicContact CB-CE2 4.31Å; E288-F292 HydrophobicContact CB-CZ 4.06Å; E288-F292 VanDerWaalsContact O-CD1 3.32Å; E288-F292 WeakPolarHBondContact O-CD1 3.41Å; E288-F292 VanDerWaalsContact O-CG 3.29Å; E288-F292 WeakPolarHBondContact O-CG 3.27Å; E288-F292 PolarHBondContact O-N 3.28Å
289	K	96.9	Very high	91.5	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-33.2	177.3	-75.1	176.2	179.6	84.5	0	113.3	M240 V241 P243 Y271 F285 I286 T287 V291 F292 A293 W308	M240-K289 HydrophobicContact SD-CG 4.22Å; V241-K289 VanDerWaalsContact O-CD 3.32Å; V241-K289 WeakPolarHBondContact O-CD 3.25Å; V241-K289 WeakPolarHBondContact O-CE 3.36Å; P243-K289 HydrophobicContact CB-CB 3.89Å; P243-K289 HydrophobicContact CG-CB 4.47Å; Y271-K289 VanDerWaalsContact CE1-NZ 3.3Å; Y271-K289 PolarHBondContact OH-NZ 3.44Å; Y271-K289 VanDerWaalsContact OH-NZ 3.11Å; F285-K289 VanDerWaalsContact O-CG 3.26Å; F285-K289 WeakPolarHBondContact O-CG 3.43Å; F285-K289 PolarHBondContact O-N 3.29Å; I286-K289 PolarHBondContact O-N 3.28Å; I286-K289 VanDerWaalsContact O-N 3.16Å; T287-K289 VanDerWaalsContact C-N 3.34Å; T287-K289 PolarHBondContact O-N 3.27Å; K289-V291 VanDerWaalsContact C-N 3.28Å; K289-V291 PolarHBondContact O-N 3.35Å; K289-F292 HydrophobicContact CG-CD2 4.34Å; K289-F292 PolarHBondContact O-N 2.73Å; K289-A293 PolarHBondContact O-N 2.88Å; K289-W308 HydrophobicContact CB-CH2 4.07Å; K289-W308 HydrophobicContact CG-CH2 4.25Å
290	Q	95.2	Very high	92.3	Very high	59 Å²	59	39.3 Å²	39.3	28%	0.276	20%	0.196	S	C	.	.	H	α-helix	trans	-62.6	-38.3	173	-68.8	170.3	-11.4	0	0	111.3	P243 I286 T287 E288 A293 R294	P243-Q290 HydrophobicContact CB-CG 3.72Å; P243-Q290 HydrophobicContact CG-CG 4.17Å; I286-Q290 WeakPolarHBondContact O-CG 3.2Å; I286-Q290 PolarHBondContact O-N 2.77Å; T287-Q290 WeakPolarHBondContact O-CB 3.48Å; T287-Q290 PolarHBondContact O-N 3.38Å; E288-Q290 VanDerWaalsContact C-N 3.33Å; E288-Q290 PolarHBondContact O-N 2.8Å; Q290-A293 PolarHBondContact O-N 2.82Å; Q290-R294 PolarHBondContact O-N 2.91Å
291	V	95.9	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-46.9	172.6	-176.7	0	0	0	0	110.2	E206 T207 W222 T287 E288 K289 A293 R294 W295	E206-V291 HydrophobicContact CB-CG1 3.85Å; E206-V291 HydrophobicContact CB-CG2 3.92Å; E206-V291 HydrophobicContact CG-CG1 3.86Å; T207-V291 HydrophobicContact CG2-CG2 3.67Å; W222-V291 HydrophobicContact CH2-CB 4.37Å; W222-V291 HydrophobicContact CH2-CG1 3.95Å; W222-V291 HydrophobicContact CH2-CG2 4.29Å; W222-V291 HydrophobicContact CZ3-CB 3.87Å; W222-V291 HydrophobicContact CZ3-CG1 3.86Å; W222-V291 HydrophobicContact CZ3-CG2 3.94Å; T287-V291 PolarHBondContact O-N 2.82Å; E288-V291 WeakPolarHBondContact O-CB 3.46Å; E288-V291 PolarHBondContact O-N 3.42Å; E288-V291 VanDerWaalsContact O-N 3.12Å; K289-V291 VanDerWaalsContact C-N 3.28Å; K289-V291 PolarHBondContact O-N 3.35Å; V291-A293 PolarHBondContact O-N 2.65Å; V291-R294 WeakPolarHBondContact O-CB 3.41Å; V291-R294 PolarHBondContact O-N 3.38Å; V291-W295 HydrophobicContact CG1-CD2 3.79Å; V291-W295 HydrophobicContact CG1-CE3 4.32Å; V291-W295 HydrophobicContact CG1-CG 4.26Å; V291-W295 HydrophobicContact CG1-CH2 4.07Å; V291-W295 HydrophobicContact CG1-CZ2 3.53Å; V291-W295 HydrophobicContact CG1-CZ3 4.45Å; V291-W295 PolarHBondContact O-N 2.99Å
292	F	96.9	Very high	94.5	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-35.8	179.5	-55.1	-20.7	0	0	0	112.6	W222 M225 M240 E288 K289 R294 W295 A296 F303 W308	W222-F292 AromaticContact CE3-CE1 3.64Å; W222-F292 HydrophobicContact CE3-CE1 3.64Å; W222-F292 HydrophobicContact CE3-CZ 4.07Å; W222-F292 HydrophobicContact CZ3-CE1 4.05Å; M225-F292 HydrophobicContact CB-CD1 4.2Å; M225-F292 HydrophobicContact CB-CE1 3.7Å; M225-F292 HydrophobicContact CB-CZ 3.9Å; M225-F292 HydrophobicContact CE-CD2 4.16Å; M225-F292 HydrophobicContact CE-CG 4.17Å; M225-F292 HydrophobicContact CG-CD1 3.71Å; M225-F292 HydrophobicContact CG-CE1 3.74Å; M225-F292 HydrophobicContact CG-CG 4.27Å; M225-F292 HydrophobicContact CG-CZ 4.31Å; M240-F292 HydrophobicContact CE-CD2 4.31Å; M240-F292 HydrophobicContact CE-CE2 4.26Å; M240-F292 HydrophobicContact SD-CD2 3.84Å; M240-F292 HydrophobicContact SD-CE2 4.26Å; E288-F292 HydrophobicContact CB-CE2 4.31Å; E288-F292 HydrophobicContact CB-CZ 4.06Å; E288-F292 VanDerWaalsContact O-CD1 3.32Å; E288-F292 WeakPolarHBondContact O-CD1 3.41Å; E288-F292 VanDerWaalsContact O-CG 3.29Å; E288-F292 WeakPolarHBondContact O-CG 3.27Å; E288-F292 PolarHBondContact O-N 3.28Å; K289-F292 HydrophobicContact CG-CD2 4.34Å; K289-F292 PolarHBondContact O-N 2.73Å; F292-R294 VanDerWaalsContact C-N 3.3Å; F292-R294 PolarHBondContact O-N 2.85Å; F292-W295 AromaticContact CD1-CE3 3.82Å; F292-W295 HydrophobicContact CD1-CE3 3.82Å; F292-W295 AromaticContact CD1-CZ3 3.91Å; F292-W295 HydrophobicContact CD1-CZ3 3.91Å; F292-W295 HydrophobicContact CE1-CE3 4.32Å; F292-W295 AromaticContact CE1-CZ3 3.92Å; F292-W295 HydrophobicContact CE1-CZ3 3.92Å; F292-W295 PolarHBondContact O-N 3.34Å; F292-A296 PolarHBondContact O-N 3.48Å; F292-F303 HydrophobicContact CB-CZ 4.03Å; F292-W308 HydrophobicContact CB-CH2 4.35Å; F292-W308 HydrophobicContact CB-CZ3 4.47Å
293	A	94.6	Very high	94.8	Very high	4 Å²	4	35 Å²	35	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-36.5	175.3	0	0	0	0	0	112.5	K289 Q290 V291 W308 C313	K289-A293 PolarHBondContact O-N 2.88Å; Q290-A293 PolarHBondContact O-N 2.82Å; V291-A293 PolarHBondContact O-N 2.65Å; A293-W308 HydrophobicContact CB-CE3 4.15Å; A293-W308 HydrophobicContact CB-CZ3 3.75Å; A293-C313 HydrophobicContact CB-CB 4.22Å
294	R	93.4	Very high	94.9	Very high	97 Å²	97	33.8 Å²	33.8	37%	0.366	17%	0.168	S	C	.	.	H	α-helix	trans	-72.9	-43.7	173.2	-63.5	-169	-53.4	-95.5	5	111.4	E206 Q290 V291 F292 A296 K297	E206-R294 PolarHBondContact O-NH2 3.05Å; E206-R294 IonicContact OE2-CZ 2.83Å; E206-R294 IonicContact OE2-NE 2.7Å; E206-R294 IonicContact OE2-NH2 3.89Å; E206-R294 PolarHBondContact OE2-NH2 3.23Å; Q290-R294 PolarHBondContact O-N 2.91Å; V291-R294 WeakPolarHBondContact O-CB 3.41Å; V291-R294 PolarHBondContact O-N 3.38Å; F292-R294 VanDerWaalsContact C-N 3.3Å; F292-R294 PolarHBondContact O-N 2.85Å; R294-A296 PolarHBondContact O-N 2.88Å; R294-K297 WeakPolarHBondContact O-CB 3.36Å; R294-K297 PolarHBondContact O-N 3.34Å
295	W	94.3	Very high	94.8	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-33.5	177.4	-73.2	-4.4	0	0	0	112.5	L57 L202 E206 W222 M225 V226 I229 V291 F292 K297 L298 Y299 I301	L57-W295 HydrophobicContact CD1-CD2 3.99Å; L57-W295 VanDerWaalsContact CD1-CE2 3.46Å; L57-W295 HydrophobicContact CD1-CG 4.34Å; L57-W295 HydrophobicContact CD1-CH2 4.49Å; L57-W295 HydrophobicContact CD1-CZ2 3.75Å; L57-W295 HydrophobicContact CD2-CZ2 4.47Å; L202-W295 HydrophobicContact CD1-CZ2 4.29Å; L202-W295 HydrophobicContact CD2-CH2 4.04Å; L202-W295 HydrophobicContact CD2-CZ2 4.09Å; L202-W295 HydrophobicContact CG-CZ2 4.28Å; E206-W295 VanDerWaalsContact CD-NE1 3.32Å; E206-W295 HydrophobicContact CG-CZ2 3.95Å; E206-W295 PolarHBondContact OE1-NE1 2.89Å; W222-W295 AromaticContact CH2-CH2 3.65Å; W222-W295 HydrophobicContact CH2-CH2 3.65Å; W222-W295 AromaticContact CH2-CZ2 3.96Å; W222-W295 HydrophobicContact CH2-CZ2 3.96Å; W222-W295 AromaticContact CZ2-CH2 3.93Å; W222-W295 HydrophobicContact CZ2-CH2 3.93Å; W222-W295 HydrophobicContact CZ2-CZ2 4.43Å; W222-W295 AromaticContact CZ3-CH2 3.99Å; W222-W295 HydrophobicContact CZ3-CH2 3.99Å; M225-W295 HydrophobicContact CB-CZ3 4.47Å; M225-W295 HydrophobicContact CG-CE3 3.89Å; M225-W295 HydrophobicContact CG-CZ3 3.9Å; V226-W295 HydrophobicContact CG2-CH2 3.69Å; V226-W295 HydrophobicContact CG2-CZ3 3.93Å; I229-W295 HydrophobicContact CD1-CD2 4.03Å; I229-W295 HydrophobicContact CD1-CE3 3.46Å; I229-W295 VanDerWaalsContact CD1-CE3 3.46Å; I229-W295 HydrophobicContact CD1-CZ3 3.97Å; V291-W295 HydrophobicContact CG1-CD2 3.79Å; V291-W295 HydrophobicContact CG1-CE3 4.32Å; V291-W295 HydrophobicContact CG1-CG 4.26Å; V291-W295 HydrophobicContact CG1-CH2 4.07Å; V291-W295 HydrophobicContact CG1-CZ2 3.53Å; V291-W295 HydrophobicContact CG1-CZ3 4.45Å; V291-W295 PolarHBondContact O-N 2.99Å; F292-W295 AromaticContact CD1-CE3 3.82Å; F292-W295 HydrophobicContact CD1-CE3 3.82Å; F292-W295 AromaticContact CD1-CZ3 3.91Å; F292-W295 HydrophobicContact CD1-CZ3 3.91Å; F292-W295 HydrophobicContact CE1-CE3 4.32Å; F292-W295 AromaticContact CE1-CZ3 3.92Å; F292-W295 HydrophobicContact CE1-CZ3 3.92Å; F292-W295 PolarHBondContact O-N 3.34Å; W295-K297 PolarHBondContact O-N 3.12Å; W295-K297 VanDerWaalsContact O-N 3.16Å; W295-L298 CarbonylContact O-C 3.52Å; W295-L298 PolarHBondContact O-N 2.88Å; W295-Y299 HydrophobicContact CB-CD2 3.87Å; W295-Y299 HydrophobicContact CB-CE2 4.29Å; W295-Y299 HydrophobicContact CG-CD2 4.2Å; W295-Y299 HydrophobicContact CG-CE2 4.14Å; W295-Y299 VanDerWaalsContact O-CD2 3.31Å; W295-Y299 WeakPolarHBondContact O-CD2 3.45Å; W295-Y299 PolarHBondContact O-N 3.43Å; W295-I301 HydrophobicContact CB-CD1 4.07Å
296	A	93.9	Very high	94.7	Very high	26 Å²	26	35.6 Å²	35.6	22%	0.215	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.2	174.8	0	0	0	0	0	114.9	F292 R294 Y299 I301 F303	F292-A296 PolarHBondContact O-N 3.48Å; R294-A296 PolarHBondContact O-N 2.88Å; A296-Y299 CarbonylContact C-O 3.56Å; A296-I301 HydrophobicContact CB-CB 4.01Å; A296-I301 HydrophobicContact CB-CG2 4.48Å; A296-F303 HydrophobicContact CB-CD2 4.49Å; A296-F303 HydrophobicContact CB-CE2 3.83Å
297	K	89.8	Confident	94.7	Very high	133 Å²	133	43.6 Å²	43.6	58%	0.578	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.6	170.9	-54.9	-175.7	-172.4	179.5	0	113	R294 W295 C313	R294-K297 WeakPolarHBondContact O-CB 3.36Å; R294-K297 PolarHBondContact O-N 3.34Å; W295-K297 PolarHBondContact O-N 3.12Å; W295-K297 VanDerWaalsContact O-N 3.16Å; K297-C313 WeakPolarHBondContact CE-O 3.35Å; K297-C313 PolarHBondContact NZ-O 3.23Å
298	L	89.1	Confident	94.6	Very high	68 Å²	68	44.4 Å²	44.4	36%	0.356	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-28.5	-173.5	-63.1	178.8	0	0	0	112.5	T54 W295	T54-L298 HydrophobicContact CG2-CB 4.14Å; T54-L298 HydrophobicContact CG2-CD2 4.3Å; T54-L298 VanDerWaalsContact CG2-O 3.23Å; T54-L298 WeakPolarHBondContact CG2-O 3.25Å; W295-L298 CarbonylContact O-C 3.52Å; W295-L298 PolarHBondContact O-N 2.88Å
299	Y	90.2	Very high	93.7	Very high	16 Å²	16	46.2 Å²	46.2	6%	0.063	24%	0.24	C	C	.	.	S	Bend	trans	-125.4	153.7	-179.7	-54.2	-76.8	0	0	0	108.3	T54 L57 I229 W295 A296 I301	T54-Y299 WeakPolarHBondContact O-CE1 3.37Å; T54-Y299 PolarHBondContact O-OH 3.06Å; L57-Y299 HydrophobicContact CB-CE1 4.45Å; L57-Y299 VanDerWaalsContact CB-OH 3.26Å; L57-Y299 WeakPolarHBondContact CB-OH 3.48Å; L57-Y299 HydrophobicContact CD1-CD2 4.45Å; L57-Y299 HydrophobicContact CD1-CE2 3.39Å; L57-Y299 WeakPolarHBondContact CD1-OH 3.3Å; L57-Y299 HydrophobicContact CG-CE2 4.24Å; L57-Y299 WeakPolarHBondContact CG-OH 3.27Å; I229-Y299 HydrophobicContact CD1-CD2 4.18Å; I229-Y299 HydrophobicContact CG2-CD1 3.89Å; I229-Y299 HydrophobicContact CG2-CE1 3.98Å; I229-Y299 HydrophobicContact CG2-CG 4.22Å; W295-Y299 HydrophobicContact CB-CD2 3.87Å; W295-Y299 HydrophobicContact CB-CE2 4.29Å; W295-Y299 HydrophobicContact CG-CD2 4.2Å; W295-Y299 HydrophobicContact CG-CE2 4.14Å; W295-Y299 VanDerWaalsContact O-CD2 3.31Å; W295-Y299 WeakPolarHBondContact O-CD2 3.45Å; W295-Y299 PolarHBondContact O-N 3.43Å; A296-Y299 CarbonylContact C-O 3.56Å; Y299-I301 PolarHBondContact O-N 2.9Å
300	N	94.8	Very high	92.2	Very high	106 Å²	106	52.8 Å²	52.8	57%	0.567	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	70.6	179.3	-66.3	-7.7	0	0	0	111	N234 I235	N234-N300 HydrophobicContact CB-CB 4.41Å; N234-N300 VanDerWaalsContact OD1-CB 3.29Å; N234-N300 WeakPolarHBondContact OD1-CB 3.18Å; N234-N300 PolarHBondContact OD1-ND2 3.31Å; I235-N300 PolarHBondContact N-O 2.92Å
301	I	97.3	Very high	90.5	Very high	10 Å²	10	54.3 Å²	54.3	5%	0.051	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.1	179.6	-52.3	169.7	0	0	0	108.4	M225 I229 I235 V237 W295 A296 Y299 F303	M225-I301 HydrophobicContact SD-CD1 4.09Å; I229-I301 HydrophobicContact CD1-CD1 4.02Å; I229-I301 HydrophobicContact CG1-CD1 4.16Å; I235-I301 HydrophobicContact CB-CG1 4.24Å; I235-I301 HydrophobicContact CB-CG2 4.45Å; I235-I301 HydrophobicContact CD1-CG1 4.09Å; I235-I301 HydrophobicContact CG2-CG2 4.47Å; I235-I301 CarbonylContact O-C 3.55Å; I235-I301 VanDerWaalsContact O-CA 3.3Å; I235-I301 WeakPolarHBondContact O-CA 3.09Å; V237-I301 HydrophobicContact CG2-CG2 3.82Å; W295-I301 HydrophobicContact CB-CD1 4.07Å; A296-I301 HydrophobicContact CB-CB 4.01Å; A296-I301 HydrophobicContact CB-CG2 4.48Å; Y299-I301 PolarHBondContact O-N 2.9Å; I301-F303 HydrophobicContact CG2-CE2 3.92Å; I301-F303 HydrophobicContact CG2-CZ 3.91Å
302	T	97.8	Very high	88.6	Confident	80 Å²	80	54.6 Å²	54.6	49%	0.491	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.5	175.2	55.9	0	0	0	0	109.6	I235 K236 V237	I235-T302 PolarHBondContact O-N 3.28Å; I235-T302 PolarHBondContact O-OG1 3.4Å; K236-T302 CarbonylContact C-O 3.6Å; K236-T302 WeakPolarHBondContact CA-O 3.28Å; V237-T302 PolarHBondContact N-O 2.9Å
303	F	98.1	Very high	86.5	Confident	18 Å²	18	55.6 Å²	55.6	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.5	175	-64.2	-87.1	0	0	0	109.8	M225 V237 M240 F292 A296 I301 K307 W308	M225-F303 HydrophobicContact CE-CE1 4.29Å; M225-F303 HydrophobicContact CE-CZ 4.34Å; V237-F303 HydrophobicContact CB-CD1 3.55Å; V237-F303 HydrophobicContact CB-CE1 3.83Å; V237-F303 HydrophobicContact CB-CG 4.35Å; V237-F303 HydrophobicContact CG1-CD1 3.65Å; V237-F303 HydrophobicContact CG1-CE1 3.77Å; V237-F303 HydrophobicContact CG2-CD1 4.04Å; V237-F303 HydrophobicContact CG2-CE1 3.84Å; V237-F303 HydrophobicContact CG2-CZ 4.47Å; M240-F303 HydrophobicContact CB-CD1 4.09Å; M240-F303 HydrophobicContact CB-CE1 4.4Å; M240-F303 HydrophobicContact SD-CD1 4.39Å; M240-F303 HydrophobicContact SD-CE1 3.77Å; F292-F303 HydrophobicContact CB-CZ 4.03Å; A296-F303 HydrophobicContact CB-CD2 4.49Å; A296-F303 HydrophobicContact CB-CE2 3.83Å; I301-F303 HydrophobicContact CG2-CE2 3.92Å; I301-F303 HydrophobicContact CG2-CZ 3.91Å; F303-K307 WeakPolarHBondContact O-CA 3.3Å; F303-W308 HydrophobicContact CB-CB 4.06Å; F303-W308 VanDerWaalsContact CB-CD1 3.44Å; F303-W308 HydrophobicContact CB-CD2 4.01Å; F303-W308 HydrophobicContact CB-CG 3.58Å; F303-W308 HydrophobicContact CD1-CD2 4.05Å; F303-W308 AromaticContact CD1-CE2 3.64Å; F303-W308 HydrophobicContact CD1-CH2 4.3Å; F303-W308 AromaticContact CD1-CZ2 3.79Å; F303-W308 HydrophobicContact CD1-CZ2 3.79Å; F303-W308 AromaticContact CD1-NE1 3.88Å; F303-W308 HydrophobicContact CD2-CB 4.23Å; F303-W308 AromaticContact CD2-CD2 3.55Å; F303-W308 HydrophobicContact CD2-CD2 3.55Å; F303-W308 AromaticContact CD2-CE3 3.62Å; F303-W308 HydrophobicContact CD2-CE3 3.62Å; F303-W308 AromaticContact CD2-CG 3.85Å; F303-W308 HydrophobicContact CD2-CG 3.85Å; F303-W308 HydrophobicContact CD2-CZ3 4.16Å; F303-W308 HydrophobicContact CE1-CD2 4.45Å; F303-W308 AromaticContact CE1-CH2 3.86Å; F303-W308 HydrophobicContact CE1-CH2 3.86Å; F303-W308 AromaticContact CE1-CZ2 3.76Å; F303-W308 HydrophobicContact CE1-CZ2 3.76Å; F303-W308 HydrophobicContact CE1-CZ3 4.23Å; F303-W308 AromaticContact CE2-CD2 3.98Å; F303-W308 HydrophobicContact CE2-CD2 3.98Å; F303-W308 AromaticContact CE2-CE3 3.6Å; F303-W308 HydrophobicContact CE2-CE3 3.6Å; F303-W308 HydrophobicContact CE2-CH2 4.18Å; F303-W308 AromaticContact CE2-CZ3 3.7Å; F303-W308 HydrophobicContact CE2-CZ3 3.7Å; F303-W308 HydrophobicContact CG-CB 4.41Å; F303-W308 AromaticContact CG-CD1 3.87Å; F303-W308 AromaticContact CG-CD2 3.59Å; F303-W308 HydrophobicContact CG-CD2 3.59Å; F303-W308 AromaticContact CG-CE2 3.66Å; F303-W308 HydrophobicContact CG-CE3 4.1Å; F303-W308 AromaticContact CG-CG 3.74Å; F303-W308 HydrophobicContact CG-CG 3.74Å; F303-W308 HydrophobicContact CG-CZ2 4.23Å; F303-W308 AromaticContact CG-NE1 3.8Å; F303-W308 HydrophobicContact CZ-CD2 4.44Å; F303-W308 HydrophobicContact CZ-CE3 4.1Å; F303-W308 AromaticContact CZ-CH2 3.8Å; F303-W308 HydrophobicContact CZ-CH2 3.8Å; F303-W308 HydrophobicContact CZ-CZ2 4.14Å; F303-W308 AromaticContact CZ-CZ3 3.77Å; F303-W308 HydrophobicContact CZ-CZ3 3.77Å
304	T	96.6	Very high	84	Confident	24 Å²	24	58.7 Å²	58.7	15%	0.147	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	156.5	176.5	-171.2	0	0	0	0	110.8	K236 V237 Y238 G239 P306	K236-T304 HydrophobicContact CD-CG2 4.46Å; K236-T304 HydrophobicContact CG-CG2 4.07Å; V237-T304 WeakPolarHBondContact O-CG2 3.11Å; V237-T304 PolarHBondContact O-N 2.94Å; Y238-T304 WeakPolarHBondContact CA-O 3.42Å; Y238-T304 HydrophobicContact CD1-CG2 3.3Å; Y238-T304 HydrophobicContact CD2-CG2 4.29Å; Y238-T304 HydrophobicContact CE1-CG2 3.38Å; Y238-T304 HydrophobicContact CE2-CG2 4.37Å; Y238-T304 HydrophobicContact CG-CG2 3.78Å; G239-T304 PolarHBondContact N-O 3.47Å; G239-T304 VanDerWaalsContact N-O 3.13Å; T304-P306 CarbonylContact C-O 3.57Å; T304-P306 WeakPolarHBondContact CA-O 3.42Å; T304-P306 PolarHBondContact N-O 3.46Å
305	S	93.2	Very high	81.5	Confident	29 Å²	29	57.5 Å²	57.5	20%	0.203	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	58.1	179.2	-47.2	0	0	0	0	112.3	H90 S94 G239	H90-S305 CarbonylContact C-O 3.57Å; S94-S305 WeakPolarHBondContact CB-OG 3.3Å; G239-S305 WeakPolarHBondContact CA-O 3.26Å; G239-S305 PolarHBondContact N-O 3.01Å
306	P	93.8	Very high	78.8	Confident	43 Å²	43	63.1 Å²	63.1	28%	0.279	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93	162.8	5.9	36.5	-37.2	0	0	0	114.5	M240 V241 T304	M240-P306 WeakPolarHBondContact O-CD 3.3Å; V241-P306 HydrophobicContact CG1-CG 4.12Å; T304-P306 CarbonylContact C-O 3.57Å; T304-P306 WeakPolarHBondContact CA-O 3.42Å; T304-P306 PolarHBondContact N-O 3.46Å
307	K	94.6	Very high	76	Confident	173 Å²	173	69.9 Å²	69.9	75%	0.752	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	139.2	168.4	-68.1	-176	-179.3	179.8	0	110.5	F303	F303-K307 WeakPolarHBondContact O-CA 3.3Å
308	W	93.1	Very high	73.2	Confident	27 Å²	27	69.4 Å²	69.4	10%	0.102	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-88.2	120.6	171	-70.2	22.4	0	0	0	108.1	M240 V241 P242 K289 F292 A293 F303 S312	M240-W308 HydrophobicContact CB-CZ2 4.27Å; M240-W308 HydrophobicContact CG-CZ2 3.84Å; M240-W308 PolarHBondContact O-NE1 3.12Å; M240-W308 HydrophobicContact SD-CH2 4.16Å; M240-W308 HydrophobicContact SD-CZ2 3.85Å; V241-W308 WeakPolarHBondContact O-CZ2 3.47Å; P242-W308 VanDerWaalsContact CA-CE2 3.47Å; P242-W308 HydrophobicContact CB-CD2 4.02Å; P242-W308 HydrophobicContact CB-CG 4.12Å; K289-W308 HydrophobicContact CB-CH2 4.07Å; K289-W308 HydrophobicContact CG-CH2 4.25Å; F292-W308 HydrophobicContact CB-CH2 4.35Å; F292-W308 HydrophobicContact CB-CZ3 4.47Å; A293-W308 HydrophobicContact CB-CE3 4.15Å; A293-W308 HydrophobicContact CB-CZ3 3.75Å; F303-W308 HydrophobicContact CB-CB 4.06Å; F303-W308 VanDerWaalsContact CB-CD1 3.44Å; F303-W308 HydrophobicContact CB-CD2 4.01Å; F303-W308 HydrophobicContact CB-CG 3.58Å; F303-W308 HydrophobicContact CD1-CD2 4.05Å; F303-W308 AromaticContact CD1-CE2 3.64Å; F303-W308 HydrophobicContact CD1-CH2 4.3Å; F303-W308 AromaticContact CD1-CZ2 3.79Å; F303-W308 HydrophobicContact CD1-CZ2 3.79Å; F303-W308 AromaticContact CD1-NE1 3.88Å; F303-W308 HydrophobicContact CD2-CB 4.23Å; F303-W308 AromaticContact CD2-CD2 3.55Å; F303-W308 HydrophobicContact CD2-CD2 3.55Å; F303-W308 AromaticContact CD2-CE3 3.62Å; F303-W308 HydrophobicContact CD2-CE3 3.62Å; F303-W308 AromaticContact CD2-CG 3.85Å; F303-W308 HydrophobicContact CD2-CG 3.85Å; F303-W308 HydrophobicContact CD2-CZ3 4.16Å; F303-W308 HydrophobicContact CE1-CD2 4.45Å; F303-W308 AromaticContact CE1-CH2 3.86Å; F303-W308 HydrophobicContact CE1-CH2 3.86Å; F303-W308 AromaticContact CE1-CZ2 3.76Å; F303-W308 HydrophobicContact CE1-CZ2 3.76Å; F303-W308 HydrophobicContact CE1-CZ3 4.23Å; F303-W308 AromaticContact CE2-CD2 3.98Å; F303-W308 HydrophobicContact CE2-CD2 3.98Å; F303-W308 AromaticContact CE2-CE3 3.6Å; F303-W308 HydrophobicContact CE2-CE3 3.6Å; F303-W308 HydrophobicContact CE2-CH2 4.18Å; F303-W308 AromaticContact CE2-CZ3 3.7Å; F303-W308 HydrophobicContact CE2-CZ3 3.7Å; F303-W308 HydrophobicContact CG-CB 4.41Å; F303-W308 AromaticContact CG-CD1 3.87Å; F303-W308 AromaticContact CG-CD2 3.59Å; F303-W308 HydrophobicContact CG-CD2 3.59Å; F303-W308 AromaticContact CG-CE2 3.66Å; F303-W308 HydrophobicContact CG-CE3 4.1Å; F303-W308 AromaticContact CG-CG 3.74Å; F303-W308 HydrophobicContact CG-CG 3.74Å; F303-W308 HydrophobicContact CG-CZ2 4.23Å; F303-W308 AromaticContact CG-NE1 3.8Å; F303-W308 HydrophobicContact CZ-CD2 4.44Å; F303-W308 HydrophobicContact CZ-CE3 4.1Å; F303-W308 AromaticContact CZ-CH2 3.8Å; F303-W308 HydrophobicContact CZ-CH2 3.8Å; F303-W308 HydrophobicContact CZ-CZ2 4.14Å; F303-W308 AromaticContact CZ-CZ3 3.77Å; F303-W308 HydrophobicContact CZ-CZ3 3.77Å; W308-S312 WeakPolarHBondContact CA-OG 3.46Å; W308-S312 WeakPolarHBondContact CB-OG 3.44Å
309	G	77.9	Confident	70.5	Confident	41 Å²	41	71.7 Å²	71.7	42%	0.423	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-82.9	166.2	175.5	0	0	0	0	0	112.4	T311 S312	G309-T311 VanDerWaalsContact C-N 3.27Å; G309-T311 PolarHBondContact O-N 2.94Å; G309-S312 PolarHBondContact N-OG 3.5Å; G309-S312 WeakPolarHBondContact O-CA 3.48Å; G309-S312 WeakPolarHBondContact O-CB 3.39Å; G309-S312 PolarHBondContact O-N 3.43Å; G309-S312 PolarHBondContact O-OG 3.38Å
310	D	65.8	Low	67.7	Low	150 Å²	150	76.3 Å²	76.3	80%	0.802	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-57.1	-37.9	-174.6	-64.4	-35.5	0	0	0	113.6	S312 C313	D310-S312 VanDerWaalsContact C-N 3.28Å; D310-S312 PolarHBondContact O-N 2.94Å; D310-C313 PolarHBondContact O-N 3.02Å; D310-C313 VanDerWaalsContact O-N 3.16Å
311	T	59.7	Low	64.6	Low	91 Å²	91	77.2 Å²	77.2	56%	0.558	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-71.6	-19.7	177.1	57.8	0	0	0	0	113.8	G309 C313 T314	G309-T311 VanDerWaalsContact C-N 3.27Å; G309-T311 PolarHBondContact O-N 2.94Å; T311-C313 PolarHBondContact O-N 3.29Å; T311-T314 WeakPolarHBondContact CA-OG1 3.24Å; T311-T314 PolarHBondContact O-OG1 3.4Å
312	S	56.8	Low	61.5	Low	6 Å²	6	81.1 Å²	81.1	4%	0.042	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-78.4	-11.2	173.6	71.6	0	0	0	0	112.9	W308 G309 D310	W308-S312 WeakPolarHBondContact CA-OG 3.46Å; W308-S312 WeakPolarHBondContact CB-OG 3.44Å; G309-S312 PolarHBondContact N-OG 3.5Å; G309-S312 WeakPolarHBondContact O-CA 3.48Å; G309-S312 WeakPolarHBondContact O-CB 3.39Å; G309-S312 PolarHBondContact O-N 3.43Å; G309-S312 PolarHBondContact O-OG 3.38Å; D310-S312 VanDerWaalsContact C-N 3.28Å; D310-S312 PolarHBondContact O-N 2.94Å
313	C	50.8	Low	58.3	Low	24 Å²	24	88.5 Å²	88.5	16%	0.162	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-106	10.6	176.5	-60.9	0	0	0	0	113.4	A293 K297 D310 T311	A293-C313 HydrophobicContact CB-CB 4.22Å; K297-C313 WeakPolarHBondContact CE-O 3.35Å; K297-C313 PolarHBondContact NZ-O 3.23Å; D310-C313 PolarHBondContact O-N 3.02Å; D310-C313 VanDerWaalsContact O-N 3.16Å; T311-C313 PolarHBondContact O-N 3.29Å
314	T	43	Very low	56.3	Low	70 Å²	70	92 Å²	92	43%	0.429	53%	0.532	S	S	.	.	S	Bend	trans	-115.4	125.5	173.3	48.9	0	0	0	0	109.3	T311 E316	T311-T314 WeakPolarHBondContact CA-OG1 3.24Å; T311-T314 PolarHBondContact O-OG1 3.4Å; T314-E316 PolarHBondContact O-N 3.01Å
315	A	42	Very low	54.2	Low	71 Å²	71	95.6 Å²	95.6	59%	0.587	55%	0.552	S	S	*	*			trans	-61.9	115.9	157.5	0	0	0	0	0	106	K317	A315-K317 PolarHBondContact O-N 3.39Å; A315-K317 VanDerWaalsContact O-N 3.13Å
316	E	35.7	Very low	52.1	Low	120 Å²	120	99.3 Å²	99.3	56%	0.561	57%	0.571	S	S	*	*			trans	-53.2	121.5	178.2	-83.5	171.4	170.4	0	0	109	P43 T314 Q318	P43-E316 WeakPolarHBondContact CB-O 3.46Å; P43-E316 WeakPolarHBondContact CG-O 3.3Å; T314-E316 PolarHBondContact O-N 3.01Å; E316-Q318 PolarHBondContact O-N 3.42Å; E316-Q318 VanDerWaalsContact O-N 3.13Å
317	K	35.5	Very low	49.6	Very low	168 Å²	168	102.6 Å²	102.6	73%	0.73	59%	0.588	S	S	*	*			trans	-70.7	100.1	160.4	-95.3	-179.7	171.9	-178	0	106	A315 T319	A315-K317 PolarHBondContact O-N 3.39Å; A315-K317 VanDerWaalsContact O-N 3.13Å; K317-T319 PolarHBondContact O-N 3.25Å
318	Q	31.4	Very low	46.8	Very low	123 Å²	123	98.2 Å²	98.2	58%	0.575	58%	0.578	S	S	*	*			trans	-80.7	95.7	156.7	-78.7	-174.2	-7.6	0	0	107	E316 S320	E316-Q318 PolarHBondContact O-N 3.42Å; E316-Q318 VanDerWaalsContact O-N 3.13Å; Q318-S320 PolarHBondContact O-N 3.45Å
319	T	31.8	Very low	43.7	Very low	115 Å²	115	102.9 Å²	102.9	71%	0.706	61%	0.61	S	S	*	*			trans	-69.6	107.1	160	38.8	0	0	0	0	107.4	K317 T321	K317-T319 PolarHBondContact O-N 3.25Å; T319-T321 PolarHBondContact O-N 3.24Å; T319-T321 VanDerWaalsContact O-N 3.12Å
320	S	31.7	Very low	41.3	Very low	113 Å²	113	107.4 Å²	107.4	79%	0.79	62%	0.623	S	S	*	*			trans	-67.6	100.8	160.6	57.7	0	0	0	0	107.6	Q318 A322	Q318-S320 PolarHBondContact O-N 3.45Å; S320-A322 PolarHBondContact O-N 3.26Å
321	T	30.4	Very low	39.4	Very low	126 Å²	126	104.1 Å²	104.1	77%	0.773	61%	0.609	S	S	*	*			trans	-68.3	106.2	154	43.8	0	0	0	0	106.2	T319	T319-T321 PolarHBondContact O-N 3.24Å; T319-T321 VanDerWaalsContact O-N 3.12Å
322	A	31.3	Very low	37.7	Very low	91 Å²	91	105.2 Å²	105.2	75%	0.752	61%	0.614	S	S	*	*			trans	-79	118.3	160.4	0	0	0	0	0	106.5	S320	S320-A322 PolarHBondContact O-N 3.26Å
323	D	31.8	Very low	36	Very low	235 Å²	235	114.2 Å²	114.2	100%	1.257	67%	0.666	S	S	*	*			trans	-112.5	0	150.5	-80.2	-28.7	0	0	0	107.2

Retrieved 323 of 323 residues in 187 ms (Link to these results)

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