A0A060WSA6_ONCMY Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A060WSA6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110525988, Length 348 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	44.1	Very low	53.6	Low	233 Å²	233	125.8 Å²	125.8	100%	1.148	72%	0.715	S	S	*	*				0	132.9	0	-92.9	169.8	156.7	0	0	108.1
2	T	47.1	Very low	54.4	Low	142 Å²	142	123.3 Å²	123.3	87%	0.871	70%	0.696	S	S	*	*			trans	60.3	129	159.3	58.7	0	0	0	0	117.1
3	A	49.3	Very low	55	Low	95 Å²	95	123.4 Å²	123.4	79%	0.785	69%	0.69	S	S	*	*			cis	-162.4	130.1	30.1	0	0	0	0	0	110.8
4	S	52.8	Low	55.8	Low	106 Å²	106	122.4 Å²	122.4	74%	0.741	68%	0.68	S	S	*	*			trans	-143.1	26	162.5	65.5	0	0	0	0	111.9
5	K	55.4	Low	56.5	Low	176 Å²	176	122.5 Å²	122.5	77%	0.765	68%	0.678	S	S	*	*			trans	-86.3	-21	-179.3	-76.5	-177.6	173.2	-178	0	117
6	P	54.8	Low	57.1	Low	94 Å²	94	118.9 Å²	118.9	61%	0.61	66%	0.664	S	S	*	*	H	α-helix	trans	-80.1	-29	-172.3	28.7	-31	0	0	0	114.2	S10	P6-S10 PolarHBondContact O-N 2.69Å
7	L	55.1	Low	57.9	Low	147 Å²	147	117.5 Å²	117.5	77%	0.77	65%	0.654	S	S	*	*	H	α-helix	trans	-75.6	-33.2	-177.8	-81.3	154.3	0	0	0	113.1	S10 A11	L7-S10 PolarHBondContact O-N 3.02Å; L7-A11 PolarHBondContact O-N 3.02Å; L7-A11 VanDerWaalsContact O-N 3.15Å
8	F	56.4	Low	58.7	Low	157 Å²	157	114.8 Å²	114.8	69%	0.689	64%	0.644	S	S	*	*	H	α-helix	trans	-72	-37.5	-179	-132.4	-90.8	0	0	0	112.2	I12	F8-I12 HydrophobicContact CD1-CD1 3.9Å; F8-I12 HydrophobicContact CE1-CD1 4.4Å; F8-I12 VanDerWaalsContact O-CG1 3.29Å; F8-I12 WeakPolarHBondContact O-CG1 3.18Å; F8-I12 PolarHBondContact O-N 2.96Å
9	L	55.9	Low	59.4	Low	123 Å²	123	112.8 Å²	112.8	64%	0.644	64%	0.639	S	S	*	*	H	α-helix	trans	-68.4	-36.6	175.7	-81.1	157.9	0	0	0	112	M13	L9-M13 WeakPolarHBondContact O-CB 3.4Å; L9-M13 PolarHBondContact O-N 3.06Å
10	S	59.1	Low	60.2	Low	62 Å²	62	114.4 Å²	114.4	43%	0.434	64%	0.635	S	S	.	*	H	α-helix	trans	-65.7	-43.6	175.7	178	0	0	0	0	112.1	P6 L7 I12 M13 I14	P6-S10 PolarHBondContact O-N 2.69Å; L7-S10 PolarHBondContact O-N 3.02Å; S10-I12 PolarHBondContact O-N 3.45Å; S10-M13 PolarHBondContact O-N 3.28Å; S10-I14 VanDerWaalsContact O-CG1 3.27Å; S10-I14 WeakPolarHBondContact O-CG1 3.44Å; S10-I14 PolarHBondContact O-N 3.27Å
11	A	59.8	Low	60.9	Low	49 Å²	49	112.2 Å²	112.2	41%	0.405	63%	0.625	S	S	.	*	H	α-helix	trans	-64.5	-40.1	177.8	0	0	0	0	0	112.7	L7 I14 L15	L7-A11 PolarHBondContact O-N 3.02Å; L7-A11 VanDerWaalsContact O-N 3.15Å; A11-I14 PolarHBondContact O-N 3.41Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.14Å
12	I	62.9	Low	62.2	Low	96 Å²	96	106.3 Å²	106.3	49%	0.492	60%	0.597	S	S	.	*	H	α-helix	trans	-66.6	-39	176.7	-67.3	168.1	0	0	0	111	F8 S10 L15 S16	F8-I12 HydrophobicContact CD1-CD1 3.9Å; F8-I12 HydrophobicContact CE1-CD1 4.4Å; F8-I12 VanDerWaalsContact O-CG1 3.29Å; F8-I12 WeakPolarHBondContact O-CG1 3.18Å; F8-I12 PolarHBondContact O-N 2.96Å; S10-I12 PolarHBondContact O-N 3.45Å; I12-L15 PolarHBondContact O-N 3.34Å; I12-S16 WeakPolarHBondContact O-CB 3.49Å; I12-S16 PolarHBondContact O-N 3.06Å; I12-S16 PolarHBondContact O-OG 3.2Å; I12-S16 VanDerWaalsContact O-OG 3.09Å
13	M	62.2	Low	63.5	Low	124 Å²	124	105.2 Å²	105.2	61%	0.611	58%	0.582	S	S	*	*	H	α-helix	trans	-67.3	-37.4	176.8	-165.4	-169.9	-84.8	0	0	111.9	L9 S10 S16 I17	L9-M13 WeakPolarHBondContact O-CB 3.4Å; L9-M13 PolarHBondContact O-N 3.06Å; S10-M13 PolarHBondContact O-N 3.28Å; M13-S16 WeakPolarHBondContact CA-OG 3.39Å; M13-S16 PolarHBondContact O-OG 2.9Å; M13-I17 HydrophobicContact CG-CD1 3.99Å; M13-I17 WeakPolarHBondContact O-CB 3.49Å; M13-I17 WeakPolarHBondContact O-CD1 3.38Å; M13-I17 WeakPolarHBondContact O-CG1 3.41Å; M13-I17 PolarHBondContact O-N 3.49Å
14	I	66.4	Low	64.7	Low	109 Å²	109	105.5 Å²	105.5	56%	0.559	57%	0.567	S	S	*	*	H	α-helix	trans	-68.4	-41.1	176.4	-67	164.7	0	0	0	111	S10 A11 S18	S10-I14 VanDerWaalsContact O-CG1 3.27Å; S10-I14 WeakPolarHBondContact O-CG1 3.44Å; S10-I14 PolarHBondContact O-N 3.27Å; A11-I14 PolarHBondContact O-N 3.41Å; I14-S18 VanDerWaalsContact O-CB 3.3Å; I14-S18 WeakPolarHBondContact O-CB 3.41Å; I14-S18 PolarHBondContact O-N 3.42Å
15	L	65.9	Low	65.4	Low	124 Å²	124	108.9 Å²	108.9	65%	0.649	56%	0.564	S	S	*	*	H	α-helix	trans	-65.9	-38.5	177	-74	167.1	0	0	0	112.4	A11 I12 S18 S19	A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.14Å; I12-L15 PolarHBondContact O-N 3.34Å; L15-S18 PolarHBondContact O-N 2.91Å; L15-S19 WeakPolarHBondContact O-CB 3.08Å; L15-S19 PolarHBondContact O-N 2.91Å
16	S	66.4	Low	65.9	Low	65 Å²	65	105.5 Å²	105.5	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-71.8	-37.8	177.8	59.3	0	0	0	0	112.6	I12 M13 S19 Y20	I12-S16 WeakPolarHBondContact O-CB 3.49Å; I12-S16 PolarHBondContact O-N 3.06Å; I12-S16 PolarHBondContact O-OG 3.2Å; I12-S16 VanDerWaalsContact O-OG 3.09Å; M13-S16 WeakPolarHBondContact CA-OG 3.39Å; M13-S16 PolarHBondContact O-OG 2.9Å; S16-S19 PolarHBondContact O-N 3.2Å; S16-Y20 VanDerWaalsContact O-CB 3.32Å; S16-Y20 WeakPolarHBondContact O-CB 3.39Å; S16-Y20 PolarHBondContact O-N 3.22Å
17	I	71.4	Confident	66.4	Low	95 Å²	95	105 Å²	105	49%	0.487	55%	0.545	S	S	.	.	H	α-helix	trans	-65.6	-42.7	172.6	-66.4	165.3	0	0	0	110.5	M13 Y20 V21	M13-I17 HydrophobicContact CG-CD1 3.99Å; M13-I17 WeakPolarHBondContact O-CB 3.49Å; M13-I17 WeakPolarHBondContact O-CD1 3.38Å; M13-I17 WeakPolarHBondContact O-CG1 3.41Å; M13-I17 PolarHBondContact O-N 3.49Å; I17-Y20 PolarHBondContact O-N 3.04Å; I17-V21 HydrophobicContact CG2-CG2 4.34Å; I17-V21 WeakPolarHBondContact O-CB 3.24Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.32Å; I17-V21 PolarHBondContact O-N 3.12Å
18	S	70.8	Confident	66.4	Low	69 Å²	69	103.3 Å²	103.3	48%	0.483	54%	0.537	S	S	.	.	H	α-helix	trans	-61.4	-45.4	176.5	-179.1	0	0	0	0	111.8	I14 L15 V21 L22	I14-S18 VanDerWaalsContact O-CB 3.3Å; I14-S18 WeakPolarHBondContact O-CB 3.41Å; I14-S18 PolarHBondContact O-N 3.42Å; L15-S18 PolarHBondContact O-N 2.91Å; S18-V21 PolarHBondContact O-N 2.59Å; S18-L22 WeakPolarHBondContact O-CB 3.49Å; S18-L22 PolarHBondContact O-N 2.9Å
19	S	72.3	Confident	66.3	Low	78 Å²	78	101.8 Å²	101.8	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-62.3	-42.7	175.7	-179.8	0	0	0	0	112.1	L15 S16 L22 H23	L15-S19 WeakPolarHBondContact O-CB 3.08Å; L15-S19 PolarHBondContact O-N 2.91Å; S16-S19 PolarHBondContact O-N 3.2Å; S19-L22 PolarHBondContact O-N 3.19Å; S19-H23 WeakPolarHBondContact O-CB 3.3Å; S19-H23 PolarHBondContact O-N 3.19Å
20	Y	75.3	Confident	66.2	Low	143 Å²	143	99.6 Å²	99.6	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-42.8	177.6	-177.3	-102.5	0	0	0	112.4	S16 I17 L22 H23 Q24	S16-Y20 VanDerWaalsContact O-CB 3.32Å; S16-Y20 WeakPolarHBondContact O-CB 3.39Å; S16-Y20 PolarHBondContact O-N 3.22Å; I17-Y20 PolarHBondContact O-N 3.04Å; Y20-L22 VanDerWaalsContact C-N 3.34Å; Y20-H23 PolarHBondContact O-N 2.88Å; Y20-Q24 HydrophobicContact CD1-CG 4.28Å; Y20-Q24 HydrophobicContact CE1-CG 3.92Å; Y20-Q24 HydrophobicContact CE2-CG 4.38Å; Y20-Q24 WeakPolarHBondContact O-CB 3.32Å; Y20-Q24 WeakPolarHBondContact O-CG 3.24Å; Y20-Q24 PolarHBondContact O-N 3.48Å; Y20-Q24 PolarHBondContact OH-NE2 3.3Å
21	V	76.4	Confident	65.7	Low	70 Å²	70	103.9 Å²	103.9	42%	0.424	55%	0.547	S	S	.	.	H	α-helix	trans	-65.8	-38.4	175.7	172.7	0	0	0	0	111.1	I17 S18 Q24 R25	I17-V21 HydrophobicContact CG2-CG2 4.34Å; I17-V21 WeakPolarHBondContact O-CB 3.24Å; I17-V21 VanDerWaalsContact O-CG2 3.26Å; I17-V21 WeakPolarHBondContact O-CG2 3.32Å; I17-V21 PolarHBondContact O-N 3.12Å; S18-V21 PolarHBondContact O-N 2.59Å; V21-Q24 PolarHBondContact O-N 2.97Å; V21-R25 WeakPolarHBondContact O-CB 3.31Å; V21-R25 WeakPolarHBondContact O-CG 3.13Å; V21-R25 PolarHBondContact O-N 3.48Å
22	L	71.6	Confident	65	Low	108 Å²	108	105.3 Å²	105.3	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-64.2	-42.9	174.6	-144.4	90	0	0	0	111.1	S18 S19 Y20 R25 L26	S18-L22 WeakPolarHBondContact O-CB 3.49Å; S18-L22 PolarHBondContact O-N 2.9Å; S19-L22 PolarHBondContact O-N 3.19Å; Y20-L22 VanDerWaalsContact C-N 3.34Å; L22-R25 PolarHBondContact O-N 3.46Å; L22-L26 HydrophobicContact CD2-CD1 4.49Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 PolarHBondContact O-N 3.31Å
23	H	73.7	Confident	64	Low	120 Å²	120	103.5 Å²	103.5	56%	0.556	56%	0.557	S	S	*	*	H	α-helix	trans	-66.7	-40.6	178.3	-154.6	72.2	0	0	0	111.7	S19 Y20 L26 L27	S19-H23 WeakPolarHBondContact O-CB 3.3Å; S19-H23 PolarHBondContact O-N 3.19Å; Y20-H23 PolarHBondContact O-N 2.88Å; H23-L26 PolarHBondContact O-N 3.32Å; H23-L27 WeakPolarHBondContact O-CB 3.33Å; H23-L27 WeakPolarHBondContact O-CG 3.45Å; H23-L27 PolarHBondContact O-N 3.34Å
24	Q	74.4	Confident	62.9	Low	101 Å²	101	104.5 Å²	104.5	47%	0.472	56%	0.563	S	S	.	*	H	α-helix	trans	-65.8	-37.5	172.9	-75	-132.9	-21.7	0	0	112.4	Y20 V21 L27 L28	Y20-Q24 HydrophobicContact CD1-CG 4.28Å; Y20-Q24 HydrophobicContact CE1-CG 3.92Å; Y20-Q24 HydrophobicContact CE2-CG 4.38Å; Y20-Q24 WeakPolarHBondContact O-CB 3.32Å; Y20-Q24 WeakPolarHBondContact O-CG 3.24Å; Y20-Q24 PolarHBondContact O-N 3.48Å; Y20-Q24 PolarHBondContact OH-NE2 3.3Å; V21-Q24 PolarHBondContact O-N 2.97Å; Q24-L27 PolarHBondContact O-N 3.48Å; Q24-L28 WeakPolarHBondContact O-CB 3.44Å; Q24-L28 PolarHBondContact O-N 3.32Å
25	R	67.3	Low	61.5	Low	176 Å²	176	103 Å²	103	66%	0.664	57%	0.567	S	S	*	*	H	α-helix	trans	-66.2	-39.3	172.5	-78.8	-173.2	178.3	-149	0.6	112.4	V21 L22 L28 L29	V21-R25 WeakPolarHBondContact O-CB 3.31Å; V21-R25 WeakPolarHBondContact O-CG 3.13Å; V21-R25 PolarHBondContact O-N 3.48Å; L22-R25 PolarHBondContact O-N 3.46Å; R25-L28 PolarHBondContact O-N 3.49Å; R25-L29 WeakPolarHBondContact O-CB 3.45Å; R25-L29 WeakPolarHBondContact O-CD1 3.49Å; R25-L29 VanDerWaalsContact O-CG 3.26Å; R25-L29 WeakPolarHBondContact O-CG 3.29Å; R25-L29 PolarHBondContact O-N 3Å
26	L	65.4	Low	60.1	Low	105 Å²	105	105 Å²	105	55%	0.55	57%	0.572	S	S	.	*	H	α-helix	trans	-65	-40.1	173.7	-100.9	135.1	0	0	0	111.9	L22 H23 L29 A30	L22-L26 HydrophobicContact CD2-CD1 4.49Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 PolarHBondContact O-N 3.31Å; H23-L26 PolarHBondContact O-N 3.32Å; L26-L29 PolarHBondContact O-N 3.32Å; L26-A30 VanDerWaalsContact O-CB 3.3Å; L26-A30 WeakPolarHBondContact O-CB 3.32Å; L26-A30 PolarHBondContact O-N 3.5Å
27	L	65.3	Low	58.7	Low	83 Å²	83	110.3 Å²	110.3	44%	0.435	59%	0.59	S	S	.	*	H	α-helix	trans	-67.2	-38.5	173.3	-81	159.5	0	0	0	111.9	H23 Q24 A30 Q31	H23-L27 WeakPolarHBondContact O-CB 3.33Å; H23-L27 WeakPolarHBondContact O-CG 3.45Å; H23-L27 PolarHBondContact O-N 3.34Å; Q24-L27 PolarHBondContact O-N 3.48Å; L27-A30 PolarHBondContact O-N 3.35Å; L27-Q31 WeakPolarHBondContact O-CB 3.37Å; L27-Q31 VanDerWaalsContact O-CG 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.48Å; L27-Q31 PolarHBondContact O-N 3.18Å
28	L	56.2	Low	57.4	Low	113 Å²	113	111.8 Å²	111.8	59%	0.592	60%	0.595	S	S	*	*	H	α-helix	trans	-66	-40.9	174.3	-149	81.6	0	0	0	110.9	Q24 R25 A30 Q31 T32	Q24-L28 WeakPolarHBondContact O-CB 3.44Å; Q24-L28 PolarHBondContact O-N 3.32Å; R25-L28 PolarHBondContact O-N 3.49Å; L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.27Å; L28-Q31 PolarHBondContact O-N 3.02Å; L28-T32 WeakPolarHBondContact O-CG2 3.45Å; L28-T32 PolarHBondContact O-N 2.94Å; L28-T32 PolarHBondContact O-OG1 3.04Å; L28-T32 VanDerWaalsContact O-OG1 3.09Å
29	L	53.8	Low	56.3	Low	125 Å²	125	116 Å²	116	65%	0.654	61%	0.607	S	S	*	*	H	α-helix	trans	-65.6	-32.5	173.3	-76.3	164	0	0	0	112.5	R25 L26 T32	R25-L29 WeakPolarHBondContact O-CB 3.45Å; R25-L29 WeakPolarHBondContact O-CD1 3.49Å; R25-L29 VanDerWaalsContact O-CG 3.26Å; R25-L29 WeakPolarHBondContact O-CG 3.29Å; R25-L29 PolarHBondContact O-N 3Å; L26-L29 PolarHBondContact O-N 3.32Å; L29-T32 WeakPolarHBondContact CA-OG1 3.3Å; L29-T32 CarbonylContact O-C 3.54Å; L29-T32 PolarHBondContact O-OG1 3.38Å; L29-T32 VanDerWaalsContact O-OG1 3.1Å
30	A	53.6	Low	55.5	Low	76 Å²	76	117 Å²	117	63%	0.628	61%	0.612	S	S	*	*	H	α-helix	trans	-78.5	-28.3	175.1	0	0	0	0	0	112.9	L26 L27 L28	L26-A30 VanDerWaalsContact O-CB 3.3Å; L26-A30 WeakPolarHBondContact O-CB 3.32Å; L26-A30 PolarHBondContact O-N 3.5Å; L27-A30 PolarHBondContact O-N 3.35Å; L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.27Å
31	Q	49.7	Very low	55.5	Low	152 Å²	152	117.2 Å²	117.2	71%	0.71	61%	0.611	S	S	*	*	H	α-helix	trans	-83.7	-29.4	175.5	-76.1	177.5	-3.9	0	0	112.5	L27 L28 G33	L27-Q31 WeakPolarHBondContact O-CB 3.37Å; L27-Q31 VanDerWaalsContact O-CG 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.48Å; L27-Q31 PolarHBondContact O-N 3.18Å; L28-Q31 PolarHBondContact O-N 3.02Å; Q31-G33 PolarHBondContact O-N 3.19Å
32	T	45	Very low	56.1	Low	79 Å²	79	118.1 Å²	118.1	49%	0.485	61%	0.614	S	S	.	*	S	Bend	trans	-74.6	66.5	155.3	61.9	0	0	0	0	107.6	L28 L29 I34	L28-T32 WeakPolarHBondContact O-CG2 3.45Å; L28-T32 PolarHBondContact O-N 2.94Å; L28-T32 PolarHBondContact O-OG1 3.04Å; L28-T32 VanDerWaalsContact O-OG1 3.09Å; L29-T32 WeakPolarHBondContact CA-OG1 3.3Å; L29-T32 CarbonylContact O-C 3.54Å; L29-T32 PolarHBondContact O-OG1 3.38Å; L29-T32 VanDerWaalsContact O-OG1 3.1Å; T32-I34 VanDerWaalsContact C-N 3.28Å; T32-I34 PolarHBondContact O-N 3.25Å
33	G	40.6	Very low	57.2	Low	59 Å²	59	113.9 Å²	113.9	61%	0.608	59%	0.592	S	S	*	*			trans	-49.3	109.5	154.7	0	0	0	0	0	105.2	Q31 A35	Q31-G33 PolarHBondContact O-N 3.19Å; G33-A35 PolarHBondContact O-N 3.42Å
34	I	39.8	Very low	58.3	Low	145 Å²	145	109.2 Å²	109.2	74%	0.744	57%	0.572	S	S	*	*			trans	-58.9	93.7	159.1	-62.2	171.9	0	0	0	101.6	T32 H36	T32-I34 VanDerWaalsContact C-N 3.28Å; T32-I34 PolarHBondContact O-N 3.25Å; I34-H36 PolarHBondContact O-N 3.49Å
35	A	36.4	Very low	59.4	Low	78 Å²	78	104.5 Å²	104.5	65%	0.645	55%	0.55	S	S	*	.			trans	-50.9	102.6	150.2	0	0	0	0	0	102	G33 Q37	G33-A35 PolarHBondContact O-N 3.42Å; A35-Q37 PolarHBondContact O-N 3.23Å
36	H	37.1	Very low	60.9	Low	164 Å²	164	96.1 Å²	96.1	76%	0.759	52%	0.518	S	S	*	.			trans	-57.9	94	167.1	-114.4	-66.8	0	0	0	103	I34 H38	I34-H36 PolarHBondContact O-N 3.49Å; H36-H38 PolarHBondContact O-N 3.41Å
37	Q	36.8	Very low	62.4	Low	178 Å²	178	91.2 Å²	91.2	83%	0.832	49%	0.493	S	S	*	.			trans	-66.4	87.9	162.7	-70.2	-149.3	-18.3	0	0	103.1	A35 E39	A35-Q37 PolarHBondContact O-N 3.23Å; Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.99Å
38	H	44.9	Very low	64	Low	126 Å²	126	89.3 Å²	89.3	58%	0.583	48%	0.479	S	S	*	.			trans	-66.8	104.5	169.9	-141.1	-25.9	0	0	0	103.8	H36	H36-H38 PolarHBondContact O-N 3.41Å
39	E	46.1	Very low	65.9	Low	157 Å²	157	87 Å²	87	73%	0.734	47%	0.465	S	S	*	.			trans	-40.2	131.4	163.4	-79.8	-80.6	156.8	0	0	108.1	Q37 R41	Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.99Å; E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.03Å
40	P	55.3	Low	68	Low	100 Å²	100	81.9 Å²	81.9	65%	0.649	44%	0.438	S	S	*	.			trans	-59.8	100.3	178.3	23.6	-30.2	0	0	0	108.1
41	R	77	Confident	70	Confident	146 Å²	146	78.3 Å²	78.3	55%	0.551	41%	0.408	S	S	*	.			trans	-100.1	124.5	176.3	175.2	-176.3	162.7	113	-3.6	106.7	E39 L43 D85	E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.03Å; R41-L43 PolarHBondContact O-N 3.39Å; R41-L43 VanDerWaalsContact O-N 3.08Å; R41-D85 IonicContact CZ-OD1 3.54Å; R41-D85 IonicContact NE-OD1 3.38Å; R41-D85 PolarHBondContact NE-OD1 2.93Å; R41-D85 IonicContact NE-OD2 3.99Å; R41-D85 IonicContact NH2-OD1 2.89Å; R41-D85 PolarHBondContact NH2-OD1 2.85Å; R41-D85 IonicContact NH2-OD2 3.85Å
42	N	87.8	Confident	72.1	Confident	90 Å²	90	75.2 Å²	75.2	48%	0.481	39%	0.392	S	S	.	.			trans	-58.5	115.1	170.9	-69.5	-2.2	0	0	0	109.6	T44 D71	N42-T44 PolarHBondContact O-N 2.97Å; N42-D71 WeakPolarHBondContact CA-O 3.36Å; N42-D71 WeakPolarHBondContact OD1-CA 3.45Å; N42-D71 PolarHBondContact OD1-OD1 3.19Å
43	L	95.3	Very high	74.3	Confident	19 Å²	19	73.8 Å²	73.8	10%	0.099	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.8	174.7	-68.8	174.5	0	0	0	108.9	R41 D71 L73 D85 C327 Y330	R41-L43 PolarHBondContact O-N 3.39Å; R41-L43 VanDerWaalsContact O-N 3.08Å; L43-D71 PolarHBondContact N-O 3.44Å; L43-L73 PolarHBondContact O-N 3.4Å; L43-D85 WeakPolarHBondContact CA-OD2 3.44Å; L43-D85 HydrophobicContact CD2-CB 4.37Å; L43-C327 HydrophobicContact CD1-CB 4.1Å; L43-Y330 HydrophobicContact CD1-CD1 3.79Å; L43-Y330 HydrophobicContact CD1-CD2 4.02Å; L43-Y330 HydrophobicContact CD1-CE1 4.47Å; L43-Y330 HydrophobicContact CD1-CG 3.53Å; L43-Y330 HydrophobicContact CD2-CD1 3.83Å; L43-Y330 HydrophobicContact CD2-CD2 4.16Å; L43-Y330 HydrophobicContact CD2-CE1 3.66Å; L43-Y330 HydrophobicContact CD2-CE2 4Å; L43-Y330 HydrophobicContact CD2-CG 4.08Å; L43-Y330 HydrophobicContact CG-CD1 4.49Å; L43-Y330 HydrophobicContact CG-CG 4.48Å
44	T	96.8	Very high	76.8	Confident	22 Å²	22	79.5 Å²	79.5	14%	0.135	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	112.9	175.2	-58.2	0	0	0	0	110.1	N42 L73 A84 D85 V86	N42-T44 PolarHBondContact O-N 2.97Å; T44-L73 HydrophobicContact CG2-CD2 4.43Å; T44-A84 HydrophobicContact CG2-CB 4.3Å; T44-D85 PolarHBondContact N-OD2 3Å; T44-D85 PolarHBondContact O-N 3.36Å; T44-V86 PolarHBondContact O-N 3.47Å
45	I	98.1	Very high	79.4	Confident	2 Å²	2	77.1 Å²	77.1	1%	0.01	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.5	175.5	-47.7	-57	0	0	0	108.6	L73 L74 S75 V86 V88 I326	I45-L73 PolarHBondContact N-O 2.72Å; I45-L74 HydrophobicContact CB-CD2 3.68Å; I45-L74 HydrophobicContact CG1-CD2 4.11Å; I45-L74 HydrophobicContact CG2-CD2 4.08Å; I45-L74 WeakPolarHBondContact O-CA 3.4Å; I45-S75 PolarHBondContact O-N 3.49Å; I45-V86 HydrophobicContact CD1-CB 3.72Å; I45-V86 HydrophobicContact CD1-CG2 3.65Å; I45-V88 HydrophobicContact CG2-CG2 3.82Å; I45-I326 HydrophobicContact CD1-CB 4.22Å; I45-I326 HydrophobicContact CD1-CG2 3.73Å; I45-I326 HydrophobicContact CG2-CD1 3.76Å
46	L	98.2	Very high	82.2	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.3	177.5	177.3	62.3	0	0	0	110.3	W48 S75 N77 F81 A84 V86 V87 V88	L46-W48 HydrophobicContact CD2-CE3 4.23Å; L46-W48 HydrophobicContact CD2-CZ3 4.39Å; L46-S75 CarbonylContact C-O 3.18Å; L46-S75 WeakPolarHBondContact CA-O 3.25Å; L46-S75 WeakPolarHBondContact CD1-O 3.21Å; L46-N77 WeakPolarHBondContact CD1-O 3.32Å; L46-F81 HydrophobicContact CD2-CB 3.98Å; L46-F81 HydrophobicContact CD2-CD2 4.37Å; L46-A84 HydrophobicContact CB-CB 3.66Å; L46-A84 HydrophobicContact CD2-CB 4.23Å; L46-V86 PolarHBondContact N-O 2.87Å; L46-V87 HydrophobicContact CB-CG2 4.39Å; L46-V87 HydrophobicContact CD2-CG1 4.3Å; L46-V87 HydrophobicContact CD2-CG2 4.31Å; L46-V87 HydrophobicContact CG-CG1 4.39Å; L46-V87 CarbonylContact O-C 3.54Å; L46-V87 WeakPolarHBondContact O-CA 3.27Å; L46-V88 PolarHBondContact O-N 3.42Å
47	L	97.9	Very high	84.9	Confident	2 Å²	2	72.9 Å²	72.9	1%	0.01	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.9	167.3	-178.5	65	0	0	0	109.3	H49 W50 S75 V88 L323	L47-H49 WeakPolarHBondContact CD1-O 3.41Å; L47-W50 HydrophobicContact CD2-CD2 3.42Å; L47-W50 VanDerWaalsContact CD2-CD2 3.42Å; L47-W50 HydrophobicContact CD2-CE3 3.45Å; L47-W50 VanDerWaalsContact CD2-CE3 3.45Å; L47-W50 HydrophobicContact CD2-CG 3.97Å; L47-W50 HydrophobicContact CD2-CH2 4.02Å; L47-W50 HydrophobicContact CD2-CZ2 4.04Å; L47-W50 HydrophobicContact CD2-CZ3 3.74Å; L47-S75 PolarHBondContact N-O 2.88Å; L47-V88 HydrophobicContact CD1-CB 4.1Å; L47-V88 HydrophobicContact CD1-CG1 4Å; L47-L323 HydrophobicContact CB-CD1 4.37Å; L47-L323 HydrophobicContact CD1-CD1 4.39Å; L47-L323 HydrophobicContact CD1-CD2 4.17Å; L47-L323 HydrophobicContact CD2-CD1 3.91Å; L47-L323 HydrophobicContact CG-CD1 4.46Å
48	W	97.6	Very high	87.7	Confident	42 Å²	42	65.7 Å²	65.7	16%	0.159	33%	0.33	C	S	.	.	S	Bend	trans	-71.4	-35.2	-175.7	-169	-109.7	0	0	0	113.2	L46 T78 F81 V87 V88 F89 V100 P102 L105	L46-W48 HydrophobicContact CD2-CE3 4.23Å; L46-W48 HydrophobicContact CD2-CZ3 4.39Å; W48-T78 HydrophobicContact CD2-CG2 4.15Å; W48-T78 HydrophobicContact CE3-CG2 3.74Å; W48-T78 HydrophobicContact CH2-CG2 4.13Å; W48-T78 HydrophobicContact CZ3-CG2 3.73Å; W48-F81 HydrophobicContact CE3-CD2 4.26Å; W48-F81 HydrophobicContact CZ3-CB 4.11Å; W48-F81 AromaticContact CZ3-CD2 3.76Å; W48-F81 HydrophobicContact CZ3-CD2 3.76Å; W48-F81 HydrophobicContact CZ3-CG 4.21Å; W48-V87 HydrophobicContact CB-CG1 4.16Å; W48-V87 HydrophobicContact CE3-CG1 4.16Å; W48-V88 WeakPolarHBondContact CB-O 3.44Å; W48-V88 PolarHBondContact N-O 3.29Å; W48-F89 HydrophobicContact CB-CD1 3.6Å; W48-F89 HydrophobicContact CB-CE1 3.56Å; W48-F89 HydrophobicContact CB-CG 4.35Å; W48-F89 HydrophobicContact CB-CZ 4.27Å; W48-F89 AromaticContact CD1-CD1 3.63Å; W48-F89 AromaticContact CD1-CE1 3.39Å; W48-F89 AromaticContact CD2-CE1 3.87Å; W48-F89 HydrophobicContact CD2-CE1 3.87Å; W48-F89 HydrophobicContact CD2-CZ 4.46Å; W48-F89 AromaticContact CG-CD1 3.69Å; W48-F89 HydrophobicContact CG-CD1 3.69Å; W48-F89 AromaticContact CG-CE1 3.3Å; W48-F89 HydrophobicContact CG-CE1 3.3Å; W48-F89 HydrophobicContact CG-CZ 4.18Å; W48-F89 AromaticContact NE1-CE1 3.97Å; W48-V100 PolarHBondContact NE1-O 2.81Å; W48-P102 HydrophobicContact CD2-CG 4.23Å; W48-P102 HydrophobicContact CE3-CG 4.24Å; W48-P102 HydrophobicContact CH2-CB 3.51Å; W48-P102 HydrophobicContact CH2-CG 3.6Å; W48-P102 HydrophobicContact CZ2-CB 3.46Å; W48-P102 VanDerWaalsContact CZ2-CB 3.46Å; W48-P102 HydrophobicContact CZ2-CG 3.56Å; W48-P102 HydrophobicContact CZ3-CB 4.31Å; W48-P102 HydrophobicContact CZ3-CG 3.93Å; W48-L105 HydrophobicContact CH2-CD1 4.22Å
49	H	96.3	Very high	89.9	Confident	64 Å²	64	67.8 Å²	67.8	30%	0.296	34%	0.341	S	S	.	.	S	Bend	trans	-153.8	140.3	174.5	-166.8	-66.4	0	0	0	109.9	L47	L47-H49 WeakPolarHBondContact CD1-O 3.41Å
50	W	96.9	Very high	92	Very high	19 Å²	19	62.9 Å²	62.9	7%	0.072	33%	0.332	C	S	.	.			trans	-66	134	178.5	-80.2	103.1	0	0	0	113.2	L47 F52 G53 P55 Y56 L58 D76 W319 R320	L47-W50 HydrophobicContact CD2-CD2 3.42Å; L47-W50 VanDerWaalsContact CD2-CD2 3.42Å; L47-W50 HydrophobicContact CD2-CE3 3.45Å; L47-W50 VanDerWaalsContact CD2-CE3 3.45Å; L47-W50 HydrophobicContact CD2-CG 3.97Å; L47-W50 HydrophobicContact CD2-CH2 4.02Å; L47-W50 HydrophobicContact CD2-CZ2 4.04Å; L47-W50 HydrophobicContact CD2-CZ3 3.74Å; W50-F52 PolarHBondContact O-N 2.63Å; W50-G53 PolarHBondContact O-N 3.35Å; W50-P55 HydrophobicContact CD2-CB 4.33Å; W50-P55 HydrophobicContact CG-CB 4.01Å; W50-Y56 AromaticContact CE3-CD2 3.96Å; W50-Y56 HydrophobicContact CE3-CD2 3.96Å; W50-Y56 HydrophobicContact CH2-CD2 4.28Å; W50-Y56 HydrophobicContact CH2-CG 4.34Å; W50-Y56 WeakPolarHBondContact CZ2-O 3.35Å; W50-Y56 AromaticContact CZ3-CD2 3.65Å; W50-Y56 HydrophobicContact CZ3-CD2 3.65Å; W50-Y56 HydrophobicContact CZ3-CG 4.12Å; W50-L58 HydrophobicContact CH2-CD1 4.34Å; W50-L58 HydrophobicContact CH2-CD2 3.99Å; W50-L58 HydrophobicContact CH2-CG 4.23Å; W50-L58 HydrophobicContact CZ2-CD1 3.77Å; W50-L58 HydrophobicContact CZ2-CD2 4.12Å; W50-L58 HydrophobicContact CZ2-CG 3.83Å; W50-D76 PolarHBondContact NE1-OD2 2.82Å; W50-W319 HydrophobicContact CZ3-CB 4Å; W50-R320 HydrophobicContact CH2-CG 4.31Å
51	P	95.9	Very high	93.8	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-53.3	129.5	170.8	-29.6	36.4	0	0	0	112.8	G53 R54 H90 W319	P51-G53 PolarHBondContact O-N 2.87Å; P51-G53 VanDerWaalsContact O-N 3.09Å; P51-R54 PolarHBondContact O-N 3.39Å; P51-R54 VanDerWaalsContact O-N 3.14Å; P51-H90 WeakPolarHBondContact CA-ND1 3.46Å; P51-H90 HydrophobicContact CG-CB 4.02Å; P51-W319 HydrophobicContact CB-CD2 4.03Å; P51-W319 HydrophobicContact CB-CH2 4.12Å; P51-W319 HydrophobicContact CB-CZ2 3.56Å; P51-W319 HydrophobicContact CG-CD2 3.73Å; P51-W319 HydrophobicContact CG-CE3 3.92Å; P51-W319 HydrophobicContact CG-CG 4.25Å; P51-W319 HydrophobicContact CG-CH2 4.13Å; P51-W319 HydrophobicContact CG-CZ2 3.96Å; P51-W319 HydrophobicContact CG-CZ3 4.13Å
52	F	94.3	Very high	94.7	Very high	87 Å²	87	54.3 Å²	54.3	38%	0.382	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	55.8	21.8	179.7	-48.9	-69.1	0	0	0	114.6	W50 R54 H90 H92 E93 W319	W50-F52 PolarHBondContact O-N 2.63Å; F52-R54 PolarHBondContact O-N 3.5Å; F52-H90 AromaticContact CE2-CE1 3.98Å; F52-H90 AromaticContact CZ-CE1 3.79Å; F52-H92 AromaticContact CD1-CD2 3.82Å; F52-H92 HydrophobicContact CE1-CB 4.24Å; F52-H92 AromaticContact CE1-CG 3.8Å; F52-H92 AromaticContact CE1-ND1 3.93Å; F52-E93 WeakPolarHBondContact CA-OE1 3.05Å; F52-E93 PolarHBondContact N-OE1 3.15Å; F52-W319 HydrophobicContact CD2-CZ2 4.46Å; F52-W319 HydrophobicContact CE2-CZ2 4.02Å
53	G	91.4	Very high	95.1	Very high	49 Å²	49	50 Å²	50	51%	0.505	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	65.6	24.1	-177.4	0	0	0	0	0	113.8	W50 P51 P55	W50-G53 PolarHBondContact O-N 3.35Å; P51-G53 PolarHBondContact O-N 2.87Å; P51-G53 VanDerWaalsContact O-N 3.09Å; G53-P55 VanDerWaalsContact O-CD 3.3Å; G53-P55 WeakPolarHBondContact O-CD 3.24Å
54	R	93.2	Very high	95.1	Very high	179 Å²	179	51.1 Å²	51.1	68%	0.675	28%	0.278	S	S	*	.			trans	-107.9	95.6	-179.8	-65.3	-172.6	-178.9	-148.4	0.2	110.1	P51 F52 Y56	P51-R54 PolarHBondContact O-N 3.39Å; P51-R54 VanDerWaalsContact O-N 3.14Å; F52-R54 PolarHBondContact O-N 3.5Å; R54-Y56 WeakPolarHBondContact O-CD2 3.43Å
55	P	94.5	Very high	95	Very high	94 Å²	94	55.9 Å²	55.9	61%	0.61	30%	0.303	S	S	*	.			trans	-72	149.8	177.6	30.8	-34.8	0	0	0	111.8	W50 G53	W50-P55 HydrophobicContact CD2-CB 4.33Å; W50-P55 HydrophobicContact CG-CB 4.01Å; G53-P55 VanDerWaalsContact O-CD 3.3Å; G53-P55 WeakPolarHBondContact O-CD 3.24Å
56	Y	94.8	Very high	94.9	Very high	77 Å²	77	60.5 Å²	60.5	30%	0.302	33%	0.325	S	S	.	.			trans	-118.3	152.3	169.4	-67.7	-120.2	0	0	0	108.2	W50 R54 L58 W319 R320	W50-Y56 AromaticContact CE3-CD2 3.96Å; W50-Y56 HydrophobicContact CE3-CD2 3.96Å; W50-Y56 HydrophobicContact CH2-CD2 4.28Å; W50-Y56 HydrophobicContact CH2-CG 4.34Å; W50-Y56 WeakPolarHBondContact CZ2-O 3.35Å; W50-Y56 AromaticContact CZ3-CD2 3.65Å; W50-Y56 HydrophobicContact CZ3-CD2 3.65Å; W50-Y56 HydrophobicContact CZ3-CG 4.12Å; R54-Y56 WeakPolarHBondContact O-CD2 3.43Å; Y56-L58 PolarHBondContact O-N 2.9Å; Y56-W319 HydrophobicContact CE2-CB 4.38Å; Y56-W319 AromaticContact CE2-CD1 3.65Å; Y56-W319 HydrophobicContact CE2-CG 4.42Å; Y56-W319 AromaticContact CZ-CD1 3.97Å; Y56-R320 HydrophobicContact CD1-CG 4.44Å; Y56-R320 HydrophobicContact CG-CG 4.37Å
57	S	94.8	Very high	94.7	Very high	76 Å²	76	62.9 Å²	62.9	53%	0.531	33%	0.334	S	S	.	.			trans	-65.9	130.8	174.1	-172.6	0	0	0	0	110.4	E59 R320	S57-E59 PolarHBondContact OG-N 2.83Å; S57-R320 VanDerWaalsContact O-CD 3.25Å; S57-R320 WeakPolarHBondContact O-CD 3.42Å
58	L	95.3	Very high	94.6	Very high	28 Å²	28	66.9 Å²	66.9	15%	0.147	37%	0.367	C	S	.	.			trans	-112.8	22.7	171.5	-59.5	-178.5	0	0	0	111.3	W50 Y56 L74 D76 R320	W50-L58 HydrophobicContact CH2-CD1 4.34Å; W50-L58 HydrophobicContact CH2-CD2 3.99Å; W50-L58 HydrophobicContact CH2-CG 4.23Å; W50-L58 HydrophobicContact CZ2-CD1 3.77Å; W50-L58 HydrophobicContact CZ2-CD2 4.12Å; W50-L58 HydrophobicContact CZ2-CG 3.83Å; Y56-L58 PolarHBondContact O-N 2.9Å; L58-L74 HydrophobicContact CD1-CB 4.16Å; L58-L74 HydrophobicContact CD2-CB 4Å; L58-L74 HydrophobicContact CD2-CD1 4Å; L58-D76 HydrophobicContact CD1-CB 4.08Å; L58-R320 HydrophobicContact CD2-CG 3.89Å
59	E	91.2	Very high	94.5	Very high	170 Å²	170	66 Å²	66	79%	0.794	37%	0.365	S	S	*	.			trans	-69	133.1	175.1	-172.1	175.9	-172.4	0	0	110.5	S57	S57-E59 PolarHBondContact OG-N 2.83Å
60	G	90.1	Very high	94.4	Very high	54 Å²	54	66.6 Å²	66.6	56%	0.557	38%	0.375	S	S	*	.	S	Bend	trans	80.6	-165.2	-176.6	0	0	0	0	0	113.9	V62	G60-V62 PolarHBondContact O-N 2.9Å
61	D	92	Very high	94.2	Very high	56 Å²	56	69.1 Å²	69.1	30%	0.299	39%	0.39	S	S	.	.			trans	-96.1	74.1	176.1	-170.8	-18.5	0	0	0	109.5	C63 S64 D65	D61-C63 PolarHBondContact O-N 3.33Å; D61-C63 VanDerWaalsContact O-N 3.14Å; D61-C63 PolarHBondContact OD1-N 3.18Å; D61-S64 PolarHBondContact O-N 3.37Å; D61-S64 VanDerWaalsContact O-N 3.16Å; D61-S64 WeakPolarHBondContact OD1-CB 3.39Å; D61-S64 PolarHBondContact OD1-N 3.2Å; D61-S64 WeakPolarHBondContact OD2-CB 3.45Å; D61-D65 VanDerWaalsContact O-CB 3.27Å; D61-D65 WeakPolarHBondContact O-CB 3.32Å; D61-D65 PolarHBondContact O-N 3.37Å
62	V	95.6	Very high	94.2	Very high	9 Å²	9	69.2 Å²	69.2	6%	0.055	39%	0.39	C	S	.	.	H	α-helix	trans	-55.6	-35.7	-176.1	177.5	0	0	0	0	112.2	G60 E66 Y67 R320	G60-V62 PolarHBondContact O-N 2.9Å; V62-E66 HydrophobicContact CG1-CB 4.35Å; V62-E66 HydrophobicContact CG1-CG 4.22Å; V62-E66 WeakPolarHBondContact O-CB 3.3Å; V62-E66 PolarHBondContact O-N 3.3Å; V62-Y67 HydrophobicContact CG1-CD2 4.46Å; V62-Y67 HydrophobicContact CG1-CE2 3.92Å; V62-R320 HydrophobicContact CG1-CB 4.02Å
63	C	96.6	Very high	94.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-68.2	-45	-179.5	-66.9	0	0	0	0	112	D61 Y67 A68 I69 C72 L74 C324	D61-C63 PolarHBondContact O-N 3.33Å; D61-C63 VanDerWaalsContact O-N 3.14Å; D61-C63 PolarHBondContact OD1-N 3.18Å; C63-Y67 CarbonylContact O-C 3.48Å; C63-Y67 WeakPolarHBondContact O-CA 3.49Å; C63-Y67 WeakPolarHBondContact O-CB 3.41Å; C63-Y67 PolarHBondContact O-N 3.48Å; C63-A68 PolarHBondContact O-N 3.07Å; C63-A68 VanDerWaalsContact O-N 3.11Å; C63-I69 CarbonylContact C-O 3.51Å; C63-I69 HydrophobicContact CB-CB 4.18Å; C63-I69 VanDerWaalsContact CB-O 3.31Å; C63-I69 WeakPolarHBondContact CB-O 3.27Å; C63-I69 PolarHBondContact O-N 3.35Å; C63-C72 HydrophobicContact CB-CB 3.76Å; C63-C72 WeakPolarHBondContact CB-O 3.49Å; C63-C72 PolarHBondContact SG-O 3.15Å; C63-C72 PolarHBondContact SG-SG 3.08Å; C63-L74 WeakPolarHBondContact SG-CG 3.34Å; C63-C324 WeakPolarHBondContact CA-SG 3.3Å; C63-C324 HydrophobicContact CB-CB 3.85Å; C63-C324 WeakPolarHBondContact CB-SG 3.27Å; C63-C324 VanDerWaalsContact SG-CA 3.54Å; C63-C324 WeakPolarHBondContact SG-CB 3.44Å; C63-C324 CovalentContact SG-SG 2.04Å; C63-C324 PolarHBondContact SG-SG 3.41Å
64	S	95.4	Very high	94.6	Very high	43 Å²	43	67 Å²	67	30%	0.301	37%	0.37	S	S	.	.	H	α-helix	trans	-67.2	-51.4	174.7	-177.5	0	0	0	0	111.2	D61 A68 I69	D61-S64 PolarHBondContact O-N 3.37Å; D61-S64 VanDerWaalsContact O-N 3.16Å; D61-S64 WeakPolarHBondContact OD1-CB 3.39Å; D61-S64 PolarHBondContact OD1-N 3.2Å; D61-S64 WeakPolarHBondContact OD2-CB 3.45Å; S64-A68 VanDerWaalsContact O-CA 3.24Å; S64-A68 WeakPolarHBondContact O-CA 3.14Å; S64-A68 PolarHBondContact O-N 2.6Å; S64-I69 PolarHBondContact N-O 3.28Å; S64-I69 VanDerWaalsContact N-O 3.15Å
65	D	94.9	Very high	94.7	Very high	121 Å²	121	59.2 Å²	59.2	65%	0.647	34%	0.344	S	S	*	.	H	α-helix	trans	-72.6	-41.1	-167.3	-64.3	-23	0	0	0	112.9	D61	D61-D65 VanDerWaalsContact O-CB 3.27Å; D61-D65 WeakPolarHBondContact O-CB 3.32Å; D61-D65 PolarHBondContact O-N 3.37Å
66	E	95.3	Very high	94.8	Very high	100 Å²	100	58.2 Å²	58.2	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-98.3	-25.5	-176.4	-62	-167.4	-149.4	0	0	113.6	V62 R320	V62-E66 HydrophobicContact CG1-CB 4.35Å; V62-E66 HydrophobicContact CG1-CG 4.22Å; V62-E66 WeakPolarHBondContact O-CB 3.3Å; V62-E66 PolarHBondContact O-N 3.3Å; E66-R320 IonicContact OE1-CZ 2.76Å; E66-R320 IonicContact OE1-NH1 3.67Å; E66-R320 PolarHBondContact OE1-NH1 3.1Å; E66-R320 IonicContact OE1-NH2 3.16Å; E66-R320 PolarHBondContact OE1-NH2 3.34Å; E66-R320 IonicContact OE2-CZ 3.4Å; E66-R320 IonicContact OE2-NH1 2.71Å; E66-R320 IonicContact OE2-NH2 3.37Å; E66-R320 PolarHBondContact OE2-NH2 3.27Å
67	Y	95.1	Very high	94.9	Very high	50 Å²	50	58.3 Å²	58.3	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-125.9	1.2	-171.8	-51.2	-61.3	0	0	0	114.8	V62 C63 I69 D318 R320 E321 C324	V62-Y67 HydrophobicContact CG1-CD2 4.46Å; V62-Y67 HydrophobicContact CG1-CE2 3.92Å; C63-Y67 CarbonylContact O-C 3.48Å; C63-Y67 WeakPolarHBondContact O-CA 3.49Å; C63-Y67 WeakPolarHBondContact O-CB 3.41Å; C63-Y67 PolarHBondContact O-N 3.48Å; Y67-I69 VanDerWaalsContact C-N 3.25Å; Y67-I69 PolarHBondContact O-N 3.26Å; Y67-D318 WeakPolarHBondContact OH-CB 3.31Å; Y67-D318 PolarHBondContact OH-OD2 3.11Å; Y67-R320 HydrophobicContact CE2-CB 3.91Å; Y67-E321 HydrophobicContact CD1-CB 3.97Å; Y67-E321 HydrophobicContact CD1-CG 3.78Å; Y67-E321 HydrophobicContact CD2-CB 4.46Å; Y67-E321 HydrophobicContact CE1-CB 3.5Å; Y67-E321 VanDerWaalsContact CE1-CB 3.5Å; Y67-E321 HydrophobicContact CE1-CG 3.79Å; Y67-E321 HydrophobicContact CE2-CB 4.02Å; Y67-E321 VanDerWaalsContact CE2-N 3.32Å; Y67-E321 HydrophobicContact CG-CB 4.43Å; Y67-E321 HydrophobicContact CG-CG 4.29Å; Y67-E321 PolarHBondContact OH-N 3.38Å; Y67-C324 HydrophobicContact CD2-CB 4.24Å
68	A	95.9	Very high	95	Very high	85 Å²	85	57.6 Å²	57.6	70%	0.702	33%	0.331	S	S	*	.			trans	55.3	38.6	-178.5	0	0	0	0	0	113.3	C63 S64 P70	C63-A68 PolarHBondContact O-N 3.07Å; C63-A68 VanDerWaalsContact O-N 3.11Å; S64-A68 VanDerWaalsContact O-CA 3.24Å; S64-A68 WeakPolarHBondContact O-CA 3.14Å; S64-A68 PolarHBondContact O-N 2.6Å; A68-P70 WeakPolarHBondContact O-CD 3.43Å
69	I	95.2	Very high	95	Very high	23 Å²	23	60.5 Å²	60.5	12%	0.118	35%	0.354	C	S	.	.			trans	-113	89.5	175.7	-60.7	163.1	0	0	0	107.3	C63 S64 Y67 C72 C324 C327 V328	C63-I69 CarbonylContact C-O 3.51Å; C63-I69 HydrophobicContact CB-CB 4.18Å; C63-I69 VanDerWaalsContact CB-O 3.31Å; C63-I69 WeakPolarHBondContact CB-O 3.27Å; C63-I69 PolarHBondContact O-N 3.35Å; S64-I69 PolarHBondContact N-O 3.28Å; S64-I69 VanDerWaalsContact N-O 3.15Å; Y67-I69 VanDerWaalsContact C-N 3.25Å; Y67-I69 PolarHBondContact O-N 3.26Å; I69-C72 HydrophobicContact CG2-CB 3.95Å; I69-C324 HydrophobicContact CD1-CB 3.71Å; I69-C327 HydrophobicContact CG2-CB 4.06Å; I69-V328 HydrophobicContact CD1-CG2 3.57Å; I69-V328 HydrophobicContact CG1-CG2 3.76Å; I69-V328 HydrophobicContact CG2-CG2 3.98Å
70	P	93.6	Very high	95.3	Very high	77 Å²	77	54.5 Å²	54.5	50%	0.5	33%	0.327	S	S	.	.			trans	-69.8	170.1	179	32.1	-36.3	0	0	0	111.2	A68 C72	A68-P70 WeakPolarHBondContact O-CD 3.43Å; P70-C72 PolarHBondContact O-N 2.75Å
71	D	93.1	Very high	95.6	Very high	73 Å²	73	52 Å²	52	39%	0.39	30%	0.301	S	S	.	.	S	Bend	trans	57.6	32	174.7	-46.8	-41.4	0	0	0	113.4	N42 L43	N42-D71 WeakPolarHBondContact CA-O 3.36Å; N42-D71 WeakPolarHBondContact OD1-CA 3.45Å; N42-D71 PolarHBondContact OD1-OD1 3.19Å; L43-D71 PolarHBondContact N-O 3.44Å
72	C	95.7	Very high	95.8	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.014	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	97.7	-175.5	-173.1	0	0	0	0	111.2	C63 I69 P70 C327	C63-C72 HydrophobicContact CB-CB 3.76Å; C63-C72 WeakPolarHBondContact CB-O 3.49Å; C63-C72 PolarHBondContact SG-O 3.15Å; C63-C72 PolarHBondContact SG-SG 3.08Å; I69-C72 HydrophobicContact CG2-CB 3.95Å; P70-C72 PolarHBondContact O-N 2.75Å; C72-C327 HydrophobicContact CB-CB 3.54Å; C72-C327 WeakPolarHBondContact CB-SG 3.36Å; C72-C327 WeakPolarHBondContact SG-CB 3.35Å; C72-C327 CovalentContact SG-SG 2.02Å; C72-C327 PolarHBondContact SG-SG 3.01Å
73	L	96.2	Very high	95.7	Very high	75 Å²	75	59.3 Å²	59.3	39%	0.393	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.1	178.6	-179.1	65.2	0	0	0	110.4	L43 T44 I45	L43-L73 PolarHBondContact O-N 3.4Å; T44-L73 HydrophobicContact CG2-CD2 4.43Å; I45-L73 PolarHBondContact N-O 2.72Å
74	L	97.4	Very high	95.7	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.073	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.1	166.1	-59.5	-170.4	0	0	0	110.4	I45 L58 C63 R320 L323	I45-L74 HydrophobicContact CB-CD2 3.68Å; I45-L74 HydrophobicContact CG1-CD2 4.11Å; I45-L74 HydrophobicContact CG2-CD2 4.08Å; I45-L74 WeakPolarHBondContact O-CA 3.4Å; L58-L74 HydrophobicContact CD1-CB 4.16Å; L58-L74 HydrophobicContact CD2-CB 4Å; L58-L74 HydrophobicContact CD2-CD1 4Å; C63-L74 WeakPolarHBondContact SG-CG 3.34Å; L74-R320 HydrophobicContact CD1-CB 4.33Å; L74-L323 HydrophobicContact CD1-CB 3.93Å; L74-L323 HydrophobicContact CD2-CB 3.9Å
75	S	96.9	Very high	95.8	Very high	17 Å²	17	58 Å²	58	12%	0.119	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.1	168.3	-166.7	0	0	0	0	111.1	I45 L46 L47 N77 L80	I45-S75 PolarHBondContact O-N 3.49Å; L46-S75 CarbonylContact C-O 3.18Å; L46-S75 WeakPolarHBondContact CA-O 3.25Å; L46-S75 WeakPolarHBondContact CD1-O 3.21Å; L47-S75 PolarHBondContact N-O 2.88Å; S75-N77 WeakPolarHBondContact OG-CB 3.4Å; S75-N77 PolarHBondContact OG-N 3.02Å; S75-N77 VanDerWaalsContact OG-N 3.12Å; S75-L80 WeakPolarHBondContact OG-CD1 3.1Å
76	D	96.8	Very high	96	Very high	72 Å²	72	52.2 Å²	52.2	39%	0.385	30%	0.299	S	S	.	.			trans	-113.4	8.1	165.8	61.4	-7.9	0	0	0	111.6	W50 L58 T78	W50-D76 PolarHBondContact NE1-OD2 2.82Å; L58-D76 HydrophobicContact CD1-CB 4.08Å; D76-T78 PolarHBondContact O-N 3.01Å
77	N	96.6	Very high	96.1	Very high	80 Å²	80	47.4 Å²	47.4	43%	0.428	28%	0.277	S	S	.	.			trans	-79.6	98.8	172.8	-177.4	-2	0	0	0	110.2	L46 S75 S79 L80	L46-N77 WeakPolarHBondContact CD1-O 3.32Å; S75-N77 WeakPolarHBondContact OG-CB 3.4Å; S75-N77 PolarHBondContact OG-N 3.02Å; S75-N77 VanDerWaalsContact OG-N 3.12Å; N77-S79 PolarHBondContact O-N 2.87Å; N77-S79 WeakPolarHBondContact OD1-CB 2.98Å; N77-S79 PolarHBondContact OD1-N 3.14Å; N77-S79 VanDerWaalsContact OD1-N 3.1Å; N77-S79 PolarHBondContact OD1-OG 2.82Å; N77-L80 WeakPolarHBondContact O-CB 3.31Å; N77-L80 PolarHBondContact O-N 2.97Å
78	T	96.1	Very high	96.3	Very high	60 Å²	60	45 Å²	45	37%	0.368	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-59.1	-17.5	-178.5	55.2	0	0	0	0	114.3	W48 D76 L80 F81	W48-T78 HydrophobicContact CD2-CG2 4.15Å; W48-T78 HydrophobicContact CE3-CG2 3.74Å; W48-T78 HydrophobicContact CH2-CG2 4.13Å; W48-T78 HydrophobicContact CZ3-CG2 3.73Å; D76-T78 PolarHBondContact O-N 3.01Å; T78-L80 PolarHBondContact O-N 2.95Å; T78-F81 WeakPolarHBondContact O-CB 3.13Å; T78-F81 PolarHBondContact O-N 3.14Å
79	S	96.3	Very high	96.4	Very high	90 Å²	90	41 Å²	41	63%	0.629	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-62	-22.1	172.5	-47.5	0	0	0	0	113	N77 F81 P82	N77-S79 PolarHBondContact O-N 2.87Å; N77-S79 WeakPolarHBondContact OD1-CB 2.98Å; N77-S79 PolarHBondContact OD1-N 3.14Å; N77-S79 VanDerWaalsContact OD1-N 3.1Å; N77-S79 PolarHBondContact OD1-OG 2.82Å; S79-F81 PolarHBondContact O-N 2.84Å; S79-P82 WeakPolarHBondContact O-CD 3.33Å
80	L	95.8	Very high	96.6	Very high	43 Å²	43	40.1 Å²	40.1	23%	0.225	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-79.4	0.7	175.7	-62.6	-179.6	0	0	0	113.4	S75 N77 T78 P82 Q83 A84	S75-L80 WeakPolarHBondContact OG-CD1 3.1Å; N77-L80 WeakPolarHBondContact O-CB 3.31Å; N77-L80 PolarHBondContact O-N 2.97Å; T78-L80 PolarHBondContact O-N 2.95Å; L80-P82 VanDerWaalsContact C-CD 3.42Å; L80-P82 VanDerWaalsContact C-N 3.32Å; L80-P82 VanDerWaalsContact O-N 3.17Å; L80-Q83 PolarHBondContact O-N 3.43Å; L80-A84 PolarHBondContact O-N 3.39Å
81	F	97.5	Very high	96.7	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-44.1	179.9	178.6	-92.8	0	0	0	114.2	L46 W48 T78 S79 Q83 V87 P102 L105 P106 R107 Q111 W113	L46-F81 HydrophobicContact CD2-CB 3.98Å; L46-F81 HydrophobicContact CD2-CD2 4.37Å; W48-F81 HydrophobicContact CE3-CD2 4.26Å; W48-F81 HydrophobicContact CZ3-CB 4.11Å; W48-F81 AromaticContact CZ3-CD2 3.76Å; W48-F81 HydrophobicContact CZ3-CD2 3.76Å; W48-F81 HydrophobicContact CZ3-CG 4.21Å; T78-F81 WeakPolarHBondContact O-CB 3.13Å; T78-F81 PolarHBondContact O-N 3.14Å; S79-F81 PolarHBondContact O-N 2.84Å; F81-Q83 PolarHBondContact O-N 2.7Å; F81-V87 HydrophobicContact CD2-CG1 4.42Å; F81-V87 HydrophobicContact CD2-CG2 3.95Å; F81-V87 HydrophobicContact CE2-CG2 4.02Å; F81-P102 HydrophobicContact CD2-CG 4.07Å; F81-P102 HydrophobicContact CE2-CG 3.59Å; F81-P102 HydrophobicContact CZ-CG 4.05Å; F81-L105 HydrophobicContact CB-CD1 4.33Å; F81-L105 HydrophobicContact CD1-CB 3.81Å; F81-L105 HydrophobicContact CD1-CD1 3.67Å; F81-L105 HydrophobicContact CD1-CG 4.4Å; F81-L105 HydrophobicContact CE1-CB 3.49Å; F81-L105 VanDerWaalsContact CE1-CB 3.49Å; F81-L105 HydrophobicContact CE1-CD1 4.13Å; F81-L105 HydrophobicContact CE1-CG 4.47Å; F81-L105 HydrophobicContact CG-CD1 3.97Å; F81-L105 HydrophobicContact CZ-CB 4.26Å; F81-P106 WeakPolarHBondContact CE1-O 3.19Å; F81-R107 HydrophobicContact CZ-CB 4.43Å; F81-Q111 PolarHBondContact O-NE2 3.18Å; F81-W113 AromaticContact CE2-CZ2 3.82Å; F81-W113 HydrophobicContact CE2-CZ2 3.82Å; F81-W113 AromaticContact CE2-NE1 3.74Å; F81-W113 AromaticContact CZ-CZ2 3.85Å; F81-W113 HydrophobicContact CZ-CZ2 3.85Å
82	P	95.5	Very high	96.9	Very high	87 Å²	87	35.5 Å²	35.5	57%	0.565	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.9	179.8	-21.5	34.8	0	0	0	114.7	S79 L80	S79-P82 WeakPolarHBondContact O-CD 3.33Å; L80-P82 VanDerWaalsContact C-CD 3.42Å; L80-P82 VanDerWaalsContact C-N 3.32Å; L80-P82 VanDerWaalsContact O-N 3.17Å
83	Q	94.2	Very high	97	Very high	131 Å²	131	35.5 Å²	35.5	61%	0.612	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-19.5	-172.8	-60.5	172.5	49.1	0	0	112.7	L80 F81	L80-Q83 PolarHBondContact O-N 3.43Å; F81-Q83 PolarHBondContact O-N 2.7Å
84	A	96.7	Very high	97	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.033	18%	0.182	C	C	.	.			trans	-63.2	133.6	-177.5	0	0	0	0	0	112	T44 L46 L80 V87 Q111	T44-A84 HydrophobicContact CG2-CB 4.3Å; L46-A84 HydrophobicContact CB-CB 3.66Å; L46-A84 HydrophobicContact CD2-CB 4.23Å; L80-A84 PolarHBondContact O-N 3.39Å; A84-V87 HydrophobicContact CB-CG2 4.05Å; A84-Q111 WeakPolarHBondContact O-CG 3.35Å; A84-Q111 PolarHBondContact O-NE2 3.36Å
85	D	97.1	Very high	97	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.059	20%	0.201	C	C	.	.	S	Bend	trans	-76.5	-37.8	174	-56.4	-71.2	0	0	0	110.1	R41 L43 T44 Q111 R112	R41-D85 IonicContact CZ-OD1 3.54Å; R41-D85 IonicContact NE-OD1 3.38Å; R41-D85 PolarHBondContact NE-OD1 2.93Å; R41-D85 IonicContact NE-OD2 3.99Å; R41-D85 IonicContact NH2-OD1 2.89Å; R41-D85 PolarHBondContact NH2-OD1 2.85Å; R41-D85 IonicContact NH2-OD2 3.85Å; L43-D85 WeakPolarHBondContact CA-OD2 3.44Å; L43-D85 HydrophobicContact CD2-CB 4.37Å; T44-D85 PolarHBondContact N-OD2 3Å; T44-D85 PolarHBondContact O-N 3.36Å; D85-Q111 WeakPolarHBondContact O-CA 3.39Å; D85-R112 PolarHBondContact O-N 3.22Å
86	V	98.2	Very high	96.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.9	176.4	-168.5	0	0	0	0	110.7	T44 I45 L46 V88 R112 L114 W136 I326 Y330	T44-V86 PolarHBondContact O-N 3.47Å; I45-V86 HydrophobicContact CD1-CB 3.72Å; I45-V86 HydrophobicContact CD1-CG2 3.65Å; L46-V86 PolarHBondContact N-O 2.87Å; V86-V88 HydrophobicContact CG1-CG2 4.35Å; V86-R112 CarbonylContact C-O 3.58Å; V86-R112 VanDerWaalsContact CA-O 3.29Å; V86-R112 WeakPolarHBondContact CA-O 3.15Å; V86-L114 HydrophobicContact CG1-CB 3.99Å; V86-L114 HydrophobicContact CG1-CD1 4.49Å; V86-W136 HydrophobicContact CG1-CE3 4.3Å; V86-W136 HydrophobicContact CG1-CZ3 4.18Å; V86-W136 HydrophobicContact CG2-CH2 4.4Å; V86-W136 HydrophobicContact CG2-CZ3 3.65Å; V86-I326 HydrophobicContact CB-CG2 4.5Å; V86-I326 HydrophobicContact CG1-CG2 4.28Å; V86-I326 HydrophobicContact CG2-CG2 4.17Å; V86-Y330 HydrophobicContact CG2-CD2 3.94Å; V86-Y330 HydrophobicContact CG2-CE2 3.74Å
87	V	98.6	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.9	171	-169.5	0	0	0	0	109.2	L46 W48 F81 A84 F89 Q111 R112 W113 L114	L46-V87 HydrophobicContact CB-CG2 4.39Å; L46-V87 HydrophobicContact CD2-CG1 4.3Å; L46-V87 HydrophobicContact CD2-CG2 4.31Å; L46-V87 HydrophobicContact CG-CG1 4.39Å; L46-V87 CarbonylContact O-C 3.54Å; L46-V87 WeakPolarHBondContact O-CA 3.27Å; W48-V87 HydrophobicContact CB-CG1 4.16Å; W48-V87 HydrophobicContact CE3-CG1 4.16Å; F81-V87 HydrophobicContact CD2-CG1 4.42Å; F81-V87 HydrophobicContact CD2-CG2 3.95Å; F81-V87 HydrophobicContact CE2-CG2 4.02Å; A84-V87 HydrophobicContact CB-CG2 4.05Å; V87-F89 HydrophobicContact CB-CE2 3.83Å; V87-F89 HydrophobicContact CB-CZ 4.23Å; V87-F89 HydrophobicContact CG1-CD2 4.28Å; V87-F89 HydrophobicContact CG1-CE1 4.26Å; V87-F89 HydrophobicContact CG1-CE2 3.48Å; V87-F89 VanDerWaalsContact CG1-CE2 3.48Å; V87-F89 HydrophobicContact CG1-CZ 3.48Å; V87-F89 VanDerWaalsContact CG1-CZ 3.48Å; V87-Q111 VanDerWaalsContact CG2-CD 3.48Å; V87-Q111 HydrophobicContact CG2-CG 4.03Å; V87-R112 PolarHBondContact N-O 3.01Å; V87-W113 WeakPolarHBondContact O-CA 3.41Å; V87-L114 PolarHBondContact O-N 2.81Å
88	V	98.8	Very high	96.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.1	-175	-178	0	0	0	0	109.9	I45 L46 L47 W48 V86 L114 L116 L323 I326	I45-V88 HydrophobicContact CG2-CG2 3.82Å; L46-V88 PolarHBondContact O-N 3.42Å; L47-V88 HydrophobicContact CD1-CB 4.1Å; L47-V88 HydrophobicContact CD1-CG1 4Å; W48-V88 WeakPolarHBondContact CB-O 3.44Å; W48-V88 PolarHBondContact N-O 3.29Å; V86-V88 HydrophobicContact CG1-CG2 4.35Å; V88-L114 HydrophobicContact CG1-CD2 3.94Å; V88-L114 HydrophobicContact CG2-CB 4.36Å; V88-L114 HydrophobicContact CG2-CD2 4.48Å; V88-L116 HydrophobicContact CG1-CB 4.04Å; V88-L116 HydrophobicContact CG1-CD2 3.95Å; V88-L323 HydrophobicContact CB-CD2 4.21Å; V88-L323 HydrophobicContact CG1-CD2 3.86Å; V88-L323 HydrophobicContact CG2-CD2 4.06Å; V88-I326 HydrophobicContact CG2-CD1 3.43Å; V88-I326 VanDerWaalsContact CG2-CD1 3.43Å
89	F	98.6	Very high	96.7	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.3	176.4	-58.6	-93.2	0	0	0	109.7	W48 V87 L94 L101 P102 W113 L114 L116 F134	W48-F89 HydrophobicContact CB-CD1 3.6Å; W48-F89 HydrophobicContact CB-CE1 3.56Å; W48-F89 HydrophobicContact CB-CG 4.35Å; W48-F89 HydrophobicContact CB-CZ 4.27Å; W48-F89 AromaticContact CD1-CD1 3.63Å; W48-F89 AromaticContact CD1-CE1 3.39Å; W48-F89 AromaticContact CD2-CE1 3.87Å; W48-F89 HydrophobicContact CD2-CE1 3.87Å; W48-F89 HydrophobicContact CD2-CZ 4.46Å; W48-F89 AromaticContact CG-CD1 3.69Å; W48-F89 HydrophobicContact CG-CD1 3.69Å; W48-F89 AromaticContact CG-CE1 3.3Å; W48-F89 HydrophobicContact CG-CE1 3.3Å; W48-F89 HydrophobicContact CG-CZ 4.18Å; W48-F89 AromaticContact NE1-CE1 3.97Å; V87-F89 HydrophobicContact CB-CE2 3.83Å; V87-F89 HydrophobicContact CB-CZ 4.23Å; V87-F89 HydrophobicContact CG1-CD2 4.28Å; V87-F89 HydrophobicContact CG1-CE1 4.26Å; V87-F89 HydrophobicContact CG1-CE2 3.48Å; V87-F89 VanDerWaalsContact CG1-CE2 3.48Å; V87-F89 HydrophobicContact CG1-CZ 3.48Å; V87-F89 VanDerWaalsContact CG1-CZ 3.48Å; F89-L94 HydrophobicContact CB-CD1 3.95Å; F89-L94 HydrophobicContact CB-CG 4.49Å; F89-L94 HydrophobicContact CD1-CD2 4.42Å; F89-L101 HydrophobicContact CB-CD2 4.44Å; F89-L101 HydrophobicContact CD1-CD2 3.34Å; F89-L101 HydrophobicContact CD2-CD2 4.27Å; F89-L101 HydrophobicContact CE1-CD2 3.43Å; F89-L101 VanDerWaalsContact CE1-CD2 3.43Å; F89-L101 HydrophobicContact CE2-CD2 4.34Å; F89-L101 HydrophobicContact CG-CD2 3.76Å; F89-L101 HydrophobicContact CZ-CD2 3.95Å; F89-P102 HydrophobicContact CE1-CG 4.45Å; F89-P102 HydrophobicContact CZ-CG 4.26Å; F89-W113 HydrophobicContact CD2-CD2 4.44Å; F89-W113 HydrophobicContact CD2-CE3 4.47Å; F89-W113 HydrophobicContact CE2-CB 4.17Å; F89-W113 AromaticContact CE2-CD2 3.45Å; F89-W113 HydrophobicContact CE2-CD2 3.45Å; F89-W113 VanDerWaalsContact CE2-CD2 3.45Å; F89-W113 AromaticContact CE2-CE2 3.81Å; F89-W113 AromaticContact CE2-CE3 3.72Å; F89-W113 HydrophobicContact CE2-CE3 3.72Å; F89-W113 AromaticContact CE2-CG 3.68Å; F89-W113 HydrophobicContact CE2-CG 3.68Å; F89-W113 HydrophobicContact CE2-CZ2 4.37Å; F89-W113 HydrophobicContact CE2-CZ3 4.28Å; F89-W113 AromaticContact CZ-CD2 3.89Å; F89-W113 HydrophobicContact CZ-CD2 3.89Å; F89-W113 AromaticContact CZ-CE2 3.84Å; F89-W113 HydrophobicContact CZ-CE3 4.02Å; F89-W113 HydrophobicContact CZ-CG 4.49Å; F89-W113 HydrophobicContact CZ-CH2 4.09Å; F89-W113 AromaticContact CZ-CZ2 3.95Å; F89-W113 HydrophobicContact CZ-CZ2 3.95Å; F89-W113 HydrophobicContact CZ-CZ3 4.13Å; F89-L114 PolarHBondContact N-O 3.45Å; F89-L116 PolarHBondContact O-N 3.27Å; F89-F134 HydrophobicContact CB-CE1 3.93Å; F89-F134 HydrophobicContact CB-CZ 4.16Å; F89-F134 AromaticContact CD2-CE1 3.63Å; F89-F134 HydrophobicContact CD2-CE1 3.63Å; F89-F134 HydrophobicContact CD2-CZ 4.41Å; F89-F134 HydrophobicContact CE2-CE1 4.44Å; F89-F134 HydrophobicContact CG-CE1 4.02Å; F89-F134 HydrophobicContact CG-CZ 4.41Å
90	H	98	Very high	96.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.3	171.3	-174.7	-125.1	0	0	0	109.8	P51 F52 H92 E93 L116	P51-H90 WeakPolarHBondContact CA-ND1 3.46Å; P51-H90 HydrophobicContact CG-CB 4.02Å; F52-H90 AromaticContact CE2-CE1 3.98Å; F52-H90 AromaticContact CZ-CE1 3.79Å; H90-H92 VanDerWaalsContact C-N 3.33Å; H90-H92 VanDerWaalsContact CE1-CB 3.43Å; H90-H92 WeakPolarHBondContact CE1-CB 3.38Å; H90-H92 PolarHBondContact O-N 2.92Å; H90-E93 WeakPolarHBondContact CB-OE2 3.05Å; H90-E93 IonicContact CE1-OE1 2.7Å; H90-E93 IonicContact CE1-OE2 3.87Å; H90-E93 IonicContact CG-OE2 2.73Å; H90-E93 VanDerWaalsContact ND1-CD 3.29Å; H90-E93 IonicContact ND1-OE1 3.87Å; H90-E93 PolarHBondContact ND1-OE1 3.11Å; H90-E93 IonicContact ND1-OE2 3.75Å; H90-E93 PolarHBondContact ND1-OE2 3.44Å; H90-E93 PolarHBondContact O-N 3.47Å; H90-L116 WeakPolarHBondContact CA-O 3.19Å; H90-L116 HydrophobicContact CB-CD2 4.35Å; H90-L116 PolarHBondContact CD2-O 3.5Å
91	H	97.7	Very high	96.6	Very high	4 Å²	4	39 Å²	39	2%	0.019	21%	0.212	C	C	.	.	H	α-helix	trans	-68.8	-31.6	-168.6	-176.6	53	0	0	0	113.1	E93 L94 K95 W115 L116 N124 L127 Y130	H91-E93 VanDerWaalsContact C-N 3.25Å; H91-E93 PolarHBondContact O-N 2.88Å; H91-L94 PolarHBondContact O-N 3Å; H91-K95 VanDerWaalsContact O-CB 3.31Å; H91-K95 WeakPolarHBondContact O-CB 3.49Å; H91-K95 PolarHBondContact O-N 2.97Å; H91-W115 HydrophobicContact CB-CZ2 3.9Å; H91-W115 AromaticContact CD2-CZ2 3.9Å; H91-W115 AromaticContact CE1-NE1 3.99Å; H91-W115 AromaticContact CG-CE2 3.67Å; H91-W115 AromaticContact CG-CZ2 3.64Å; H91-W115 AromaticContact CG-NE1 3.28Å; H91-W115 VanDerWaalsContact CG-NE1 3.28Å; H91-W115 AromaticContact ND1-CE2 3.89Å; H91-W115 AromaticContact ND1-NE1 3.07Å; H91-W115 PolarHBondContact ND1-NE1 3.31Å; H91-L116 WeakPolarHBondContact CB-O 3.3Å; H91-L116 PolarHBondContact N-O 3.15Å; H91-N124 PolarHBondContact CD2-OD1 2.82Å; H91-N124 VanDerWaalsContact CD2-OD1 3.31Å; H91-N124 PolarHBondContact NE2-O 2.74Å; H91-L127 WeakPolarHBondContact CE1-CD2 3.46Å; H91-L127 VanDerWaalsContact NE2-CD2 3.26Å; H91-L127 WeakPolarHBondContact NE2-CD2 3.46Å; H91-Y130 AromaticContact CE1-CE2 3.81Å
92	H	96.8	Very high	96.6	Very high	49 Å²	49	39 Å²	39	23%	0.227	21%	0.211	C	C	.	.	H	α-helix	trans	-57.5	-40.2	-179.3	-178.3	85.2	0	0	0	112.1	F52 H90 T96 R98	F52-H92 AromaticContact CD1-CD2 3.82Å; F52-H92 HydrophobicContact CE1-CB 4.24Å; F52-H92 AromaticContact CE1-CG 3.8Å; F52-H92 AromaticContact CE1-ND1 3.93Å; H90-H92 VanDerWaalsContact C-N 3.33Å; H90-H92 VanDerWaalsContact CE1-CB 3.43Å; H90-H92 WeakPolarHBondContact CE1-CB 3.38Å; H90-H92 PolarHBondContact O-N 2.92Å; H92-T96 WeakPolarHBondContact O-CB 3.31Å; H92-T96 VanDerWaalsContact O-CG2 3.29Å; H92-T96 WeakPolarHBondContact O-CG2 3.23Å; H92-T96 PolarHBondContact O-N 2.82Å; H92-T96 PolarHBondContact O-OG1 3.27Å; H92-R98 PolarHBondContact NE2-NH1 3.34Å
93	E	97	Very high	96.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-76.6	-36.2	-177.5	-67.1	65.9	-148.7	0	0	111	F52 H90 H91 T96 G97 R98 S99	F52-E93 WeakPolarHBondContact CA-OE1 3.05Å; F52-E93 PolarHBondContact N-OE1 3.15Å; H90-E93 WeakPolarHBondContact CB-OE2 3.05Å; H90-E93 IonicContact CE1-OE1 2.7Å; H90-E93 IonicContact CE1-OE2 3.87Å; H90-E93 IonicContact CG-OE2 2.73Å; H90-E93 VanDerWaalsContact ND1-CD 3.29Å; H90-E93 IonicContact ND1-OE1 3.87Å; H90-E93 PolarHBondContact ND1-OE1 3.11Å; H90-E93 IonicContact ND1-OE2 3.75Å; H90-E93 PolarHBondContact ND1-OE2 3.44Å; H90-E93 PolarHBondContact O-N 3.47Å; H91-E93 VanDerWaalsContact C-N 3.25Å; H91-E93 PolarHBondContact O-N 2.88Å; E93-T96 WeakPolarHBondContact CA-OG1 3.28Å; E93-G97 PolarHBondContact O-N 2.83Å; E93-G97 VanDerWaalsContact O-N 3.12Å; E93-R98 HydrophobicContact CB-CB 4.16Å; E93-R98 HydrophobicContact CG-CB 4.37Å; E93-R98 PolarHBondContact O-N 2.03Å; E93-S99 PolarHBondContact O-N 2.87Å
94	L	96.9	Very high	96.7	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-50.3	170.8	-63.1	-177.7	0	0	0	110.6	F89 H91 T96 G97 L101 Y130 F134	F89-L94 HydrophobicContact CB-CD1 3.95Å; F89-L94 HydrophobicContact CB-CG 4.49Å; F89-L94 HydrophobicContact CD1-CD2 4.42Å; H91-L94 PolarHBondContact O-N 3Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.48Å; L94-G97 PolarHBondContact O-N 3.23Å; L94-L101 HydrophobicContact CD1-CD2 4.06Å; L94-L101 HydrophobicContact CD2-CD2 3.74Å; L94-L101 HydrophobicContact CD2-CG 4.03Å; L94-Y130 WeakPolarHBondContact CB-OH 3.26Å; L94-Y130 HydrophobicContact CD1-CE1 4.29Å; L94-F134 HydrophobicContact CD1-CZ 3.9Å
95	K	96.1	Very high	96.6	Very high	105 Å²	105	44.2 Å²	44.2	46%	0.457	23%	0.232	S	C	.	.	H	α-helix	trans	-61.1	-39.8	179.8	-177.1	-168	175.7	-172.9	0	112.6	H91 G97 H123 N124	H91-K95 VanDerWaalsContact O-CB 3.31Å; H91-K95 WeakPolarHBondContact O-CB 3.49Å; H91-K95 PolarHBondContact O-N 2.97Å; K95-G97 VanDerWaalsContact C-N 3.29Å; K95-H123 PolarHBondContact NZ-O 2.86Å; K95-N124 WeakPolarHBondContact CD-O 3.35Å
96	T	95.3	Very high	96.4	Very high	64 Å²	64	48.9 Å²	48.9	39%	0.393	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.1	-178.6	55	0	0	0	0	113.5	H92 E93 L94 R98	H92-T96 WeakPolarHBondContact O-CB 3.31Å; H92-T96 VanDerWaalsContact O-CG2 3.29Å; H92-T96 WeakPolarHBondContact O-CG2 3.23Å; H92-T96 PolarHBondContact O-N 2.82Å; H92-T96 PolarHBondContact O-OG1 3.27Å; E93-T96 WeakPolarHBondContact CA-OG1 3.28Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.48Å; T96-R98 PolarHBondContact O-N 2.89Å
97	G	95	Very high	96.1	Very high	56 Å²	56	52.9 Å²	52.9	58%	0.577	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	11.8	-178.1	0	0	0	0	0	114.2	E93 L94 K95 S99	E93-G97 PolarHBondContact O-N 2.83Å; E93-G97 VanDerWaalsContact O-N 3.12Å; L94-G97 PolarHBondContact O-N 3.23Å; K95-G97 VanDerWaalsContact C-N 3.29Å; G97-S99 VanDerWaalsContact C-N 3.29Å
98	R	94.8	Very high	95.7	Very high	152 Å²	152	55.4 Å²	55.4	57%	0.574	30%	0.296	S	S	*	.	S	Bend	trans	-76.7	-20	174.5	-68.7	-177.9	-178.7	139.7	-1.1	112.5	H92 E93 T96	H92-R98 PolarHBondContact NE2-NH1 3.34Å; E93-R98 HydrophobicContact CB-CB 4.16Å; E93-R98 HydrophobicContact CG-CB 4.37Å; E93-R98 PolarHBondContact O-N 2.03Å; T96-R98 PolarHBondContact O-N 2.89Å
99	S	95.1	Very high	95.2	Very high	12 Å²	12	62.1 Å²	62.1	8%	0.084	34%	0.336	C	S	.	.	S	Bend	trans	-132.5	142.8	176.2	-176.1	0	0	0	0	109.8	E93 G97	E93-S99 PolarHBondContact O-N 2.87Å; G97-S99 VanDerWaalsContact C-N 3.29Å
100	V	94.9	Very high	94.9	Very high	111 Å²	111	65.2 Å²	65.2	67%	0.673	36%	0.358	S	S	*	.			trans	-123.7	138.6	178.3	-178	0	0	0	0	108.3	W48	W48-V100 PolarHBondContact NE1-O 2.81Å
101	L	97.1	Very high	94.8	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.084	36%	0.357	C	S	.	.			trans	-66.1	135.4	176.3	-63	177	0	0	0	110.3	F89 L94 L103 W113 Y130 L133 F134	F89-L101 HydrophobicContact CB-CD2 4.44Å; F89-L101 HydrophobicContact CD1-CD2 3.34Å; F89-L101 HydrophobicContact CD2-CD2 4.27Å; F89-L101 HydrophobicContact CE1-CD2 3.43Å; F89-L101 VanDerWaalsContact CE1-CD2 3.43Å; F89-L101 HydrophobicContact CE2-CD2 4.34Å; F89-L101 HydrophobicContact CG-CD2 3.76Å; F89-L101 HydrophobicContact CZ-CD2 3.95Å; L94-L101 HydrophobicContact CD1-CD2 4.06Å; L94-L101 HydrophobicContact CD2-CD2 3.74Å; L94-L101 HydrophobicContact CD2-CG 4.03Å; L101-L103 HydrophobicContact CB-CD2 4.11Å; L101-L103 HydrophobicContact CB-CG 3.94Å; L101-L103 PolarHBondContact O-N 2.74Å; L101-W113 HydrophobicContact CB-CH2 4.18Å; L101-W113 HydrophobicContact CB-CZ3 4Å; L101-W113 HydrophobicContact CD1-CZ3 4.15Å; L101-W113 HydrophobicContact CD2-CE3 4.4Å; L101-W113 HydrophobicContact CD2-CZ3 3.91Å; L101-W113 HydrophobicContact CG-CZ3 4.24Å; L101-Y130 HydrophobicContact CD1-CD1 3.73Å; L101-Y130 HydrophobicContact CD1-CE1 3.93Å; L101-L133 HydrophobicContact CD1-CD1 3.56Å; L101-F134 HydrophobicContact CD1-CZ 4.49Å; L101-F134 HydrophobicContact CD2-CZ 4.1Å
102	P	96.8	Very high	94.8	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.006	36%	0.362	C	S	.	.			trans	-79	56	-179.8	32.5	-35.5	0	0	0	112.2	W48 F81 F89 H104 L105 W113	W48-P102 HydrophobicContact CD2-CG 4.23Å; W48-P102 HydrophobicContact CE3-CG 4.24Å; W48-P102 HydrophobicContact CH2-CB 3.51Å; W48-P102 HydrophobicContact CH2-CG 3.6Å; W48-P102 HydrophobicContact CZ2-CB 3.46Å; W48-P102 VanDerWaalsContact CZ2-CB 3.46Å; W48-P102 HydrophobicContact CZ2-CG 3.56Å; W48-P102 HydrophobicContact CZ3-CB 4.31Å; W48-P102 HydrophobicContact CZ3-CG 3.93Å; F81-P102 HydrophobicContact CD2-CG 4.07Å; F81-P102 HydrophobicContact CE2-CG 3.59Å; F81-P102 HydrophobicContact CZ-CG 4.05Å; F89-P102 HydrophobicContact CE1-CG 4.45Å; F89-P102 HydrophobicContact CZ-CG 4.26Å; P102-H104 PolarHBondContact O-N 3.3Å; P102-H104 VanDerWaalsContact O-N 3.1Å; P102-L105 HydrophobicContact CB-CB 4.32Å; P102-L105 HydrophobicContact CB-CD1 3.75Å; P102-L105 HydrophobicContact CB-CG 3.99Å; P102-L105 PolarHBondContact O-N 2.8Å; P102-W113 HydrophobicContact CG-CH2 4.05Å; P102-W113 HydrophobicContact CG-CZ2 3.86Å
103	L	96	Very high	94.9	Very high	116 Å²	116	64.4 Å²	64.4	61%	0.607	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.4	-178.2	-58.8	178.6	0	0	0	113.4	L101 W113 L133	L101-L103 HydrophobicContact CB-CD2 4.11Å; L101-L103 HydrophobicContact CB-CG 3.94Å; L101-L103 PolarHBondContact O-N 2.74Å; L103-W113 HydrophobicContact CD2-CH2 3.83Å; L103-W113 HydrophobicContact CD2-CZ3 3.89Å; L103-L133 HydrophobicContact CD2-CD1 4.42Å; L103-L133 HydrophobicContact CD2-CD2 4.29Å
104	H	94.6	Very high	95	Very high	157 Å²	157	64.3 Å²	64.3	73%	0.727	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-14.7	175	64.8	-84.1	0	0	0	113.2	P102	P102-H104 PolarHBondContact O-N 3.3Å; P102-H104 VanDerWaalsContact O-N 3.1Å
105	L	94.9	Very high	95.1	Very high	59 Å²	59	64 Å²	64	31%	0.309	35%	0.35	S	S	.	.	S	Bend	trans	-89.7	141.7	179.5	-62.1	-176.7	0	0	0	110.8	W48 F81 P102 R107	W48-L105 HydrophobicContact CH2-CD1 4.22Å; F81-L105 HydrophobicContact CB-CD1 4.33Å; F81-L105 HydrophobicContact CD1-CB 3.81Å; F81-L105 HydrophobicContact CD1-CD1 3.67Å; F81-L105 HydrophobicContact CD1-CG 4.4Å; F81-L105 HydrophobicContact CE1-CB 3.49Å; F81-L105 VanDerWaalsContact CE1-CB 3.49Å; F81-L105 HydrophobicContact CE1-CD1 4.13Å; F81-L105 HydrophobicContact CE1-CG 4.47Å; F81-L105 HydrophobicContact CG-CD1 3.97Å; F81-L105 HydrophobicContact CZ-CB 4.26Å; P102-L105 HydrophobicContact CB-CB 4.32Å; P102-L105 HydrophobicContact CB-CD1 3.75Å; P102-L105 HydrophobicContact CB-CG 3.99Å; P102-L105 PolarHBondContact O-N 2.8Å; L105-R107 PolarHBondContact O-N 2.94Å
106	P	92.6	Very high	95.2	Very high	109 Å²	109	59 Å²	59	71%	0.708	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-67.5	126.4	175.5	28.5	-33.6	0	0	0	110	F81	F81-P106 WeakPolarHBondContact CE1-O 3.19Å
107	R	91.9	Very high	95.3	Very high	84 Å²	84	56 Å²	56	32%	0.317	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-103.3	126.1	179	176.6	177.3	169.7	-171.6	-7.5	110.3	F81 L105 Q111 W113 L133 N135	F81-R107 HydrophobicContact CZ-CB 4.43Å; L105-R107 PolarHBondContact O-N 2.94Å; R107-Q111 HydrophobicContact CG-CB 4.28Å; R107-Q111 PolarHBondContact NE-O 3.5Å; R107-Q111 PolarHBondContact NH2-O 3.12Å; R107-W113 VanDerWaalsContact NH1-CG 3.35Å; R107-L133 PolarHBondContact NH1-O 3.12Å; R107-L133 VanDerWaalsContact NH1-O 3.1Å; R107-N135 PolarHBondContact NH2-OD1 3.2Å
108	S	90.1	Very high	95.3	Very high	53 Å²	53	53.8 Å²	53.8	37%	0.371	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-62.2	143.1	171.5	176.4	0	0	0	0	111.1	S110 Q111	S108-S110 PolarHBondContact O-N 3.1Å; S108-S110 PolarHBondContact OG-N 2.96Å; S108-S110 PolarHBondContact OG-OG 3.35Å; S108-Q111 WeakPolarHBondContact O-CB 3.35Å; S108-Q111 PolarHBondContact O-N 2.73Å
109	V	89.9	Confident	95.3	Very high	140 Å²	140	48.9 Å²	48.9	85%	0.848	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.7	173.1	-61.9	0	0	0	0	112.8	R112	V109-R112 PolarHBondContact O-NH1 3.23Å
110	S	92.4	Very high	95.3	Very high	66 Å²	66	48.3 Å²	48.3	46%	0.462	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-19.4	176.2	62.4	0	0	0	0	113.3	S108 R112	S108-S110 PolarHBondContact O-N 3.1Å; S108-S110 PolarHBondContact OG-N 2.96Å; S108-S110 PolarHBondContact OG-OG 3.35Å; S110-R112 PolarHBondContact O-NH1 2.81Å
111	Q	96	Very high	95.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	24%	0.242	C	C	.	.			trans	-73.2	138.3	179.3	179.5	174.4	99.3	0	0	110.9	F81 A84 D85 V87 R107 S108 W113	F81-Q111 PolarHBondContact O-NE2 3.18Å; A84-Q111 WeakPolarHBondContact O-CG 3.35Å; A84-Q111 PolarHBondContact O-NE2 3.36Å; D85-Q111 WeakPolarHBondContact O-CA 3.39Å; V87-Q111 VanDerWaalsContact CG2-CD 3.48Å; V87-Q111 HydrophobicContact CG2-CG 4.03Å; R107-Q111 HydrophobicContact CG-CB 4.28Å; R107-Q111 PolarHBondContact NE-O 3.5Å; R107-Q111 PolarHBondContact NH2-O 3.12Å; S108-Q111 WeakPolarHBondContact O-CB 3.35Å; S108-Q111 PolarHBondContact O-N 2.73Å; Q111-W113 VanDerWaalsContact OE1-NE1 3.11Å
112	R	97.6	Very high	95.2	Very high	31 Å²	31	48.8 Å²	48.8	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.5	179.3	-61.1	-72.2	171.6	-82.6	0.4	110.4	D85 V86 V87 V109 S110 N135 W136 G335	D85-R112 PolarHBondContact O-N 3.22Å; V86-R112 CarbonylContact C-O 3.58Å; V86-R112 VanDerWaalsContact CA-O 3.29Å; V86-R112 WeakPolarHBondContact CA-O 3.15Å; V87-R112 PolarHBondContact N-O 3.01Å; V109-R112 PolarHBondContact O-NH1 3.23Å; S110-R112 PolarHBondContact O-NH1 2.81Å; R112-N135 HydrophobicContact CB-CB 4.49Å; R112-W136 HydrophobicContact CB-CD2 4.19Å; R112-W136 HydrophobicContact CB-CE3 3.86Å; R112-W136 HydrophobicContact CB-CH2 3.79Å; R112-W136 HydrophobicContact CB-CZ2 4.07Å; R112-W136 HydrophobicContact CB-CZ3 3.66Å; R112-W136 HydrophobicContact CG-CE3 4.43Å; R112-W136 HydrophobicContact CG-CH2 3.53Å; R112-W136 HydrophobicContact CG-CZ2 3.56Å; R112-W136 HydrophobicContact CG-CZ3 3.97Å; R112-G335 PolarHBondContact NE-O 2.93Å; R112-G335 PolarHBondContact NH2-O 3.41Å
113	W	98.3	Very high	95	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.027	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.2	172.4	-77.8	17.5	0	0	0	109	F81 V87 F89 L101 P102 L103 R107 Q111 F134 N135 W136	F81-W113 AromaticContact CE2-CZ2 3.82Å; F81-W113 HydrophobicContact CE2-CZ2 3.82Å; F81-W113 AromaticContact CE2-NE1 3.74Å; F81-W113 AromaticContact CZ-CZ2 3.85Å; F81-W113 HydrophobicContact CZ-CZ2 3.85Å; V87-W113 WeakPolarHBondContact O-CA 3.41Å; F89-W113 HydrophobicContact CD2-CD2 4.44Å; F89-W113 HydrophobicContact CD2-CE3 4.47Å; F89-W113 HydrophobicContact CE2-CB 4.17Å; F89-W113 AromaticContact CE2-CD2 3.45Å; F89-W113 HydrophobicContact CE2-CD2 3.45Å; F89-W113 VanDerWaalsContact CE2-CD2 3.45Å; F89-W113 AromaticContact CE2-CE2 3.81Å; F89-W113 AromaticContact CE2-CE3 3.72Å; F89-W113 HydrophobicContact CE2-CE3 3.72Å; F89-W113 AromaticContact CE2-CG 3.68Å; F89-W113 HydrophobicContact CE2-CG 3.68Å; F89-W113 HydrophobicContact CE2-CZ2 4.37Å; F89-W113 HydrophobicContact CE2-CZ3 4.28Å; F89-W113 AromaticContact CZ-CD2 3.89Å; F89-W113 HydrophobicContact CZ-CD2 3.89Å; F89-W113 AromaticContact CZ-CE2 3.84Å; F89-W113 HydrophobicContact CZ-CE3 4.02Å; F89-W113 HydrophobicContact CZ-CG 4.49Å; F89-W113 HydrophobicContact CZ-CH2 4.09Å; F89-W113 AromaticContact CZ-CZ2 3.95Å; F89-W113 HydrophobicContact CZ-CZ2 3.95Å; F89-W113 HydrophobicContact CZ-CZ3 4.13Å; L101-W113 HydrophobicContact CB-CH2 4.18Å; L101-W113 HydrophobicContact CB-CZ3 4Å; L101-W113 HydrophobicContact CD1-CZ3 4.15Å; L101-W113 HydrophobicContact CD2-CE3 4.4Å; L101-W113 HydrophobicContact CD2-CZ3 3.91Å; L101-W113 HydrophobicContact CG-CZ3 4.24Å; P102-W113 HydrophobicContact CG-CH2 4.05Å; P102-W113 HydrophobicContact CG-CZ2 3.86Å; L103-W113 HydrophobicContact CD2-CH2 3.83Å; L103-W113 HydrophobicContact CD2-CZ3 3.89Å; R107-W113 VanDerWaalsContact NH1-CG 3.35Å; Q111-W113 VanDerWaalsContact OE1-NE1 3.11Å; W113-F134 HydrophobicContact CB-CD1 3.95Å; W113-F134 HydrophobicContact CB-CE1 4.45Å; W113-N135 PolarHBondContact N-OD1 3.12Å; W113-N135 PolarHBondContact O-N 3.35Å; W113-W136 PolarHBondContact O-N 3.29Å
114	L	98.7	Very high	94.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.4	-178.4	-174.9	155.8	0	0	0	109.5	V86 V87 V88 F89 L116 W136 M138 I146 I326	V86-L114 HydrophobicContact CG1-CB 3.99Å; V86-L114 HydrophobicContact CG1-CD1 4.49Å; V87-L114 PolarHBondContact O-N 2.81Å; V88-L114 HydrophobicContact CG1-CD2 3.94Å; V88-L114 HydrophobicContact CG2-CB 4.36Å; V88-L114 HydrophobicContact CG2-CD2 4.48Å; F89-L114 PolarHBondContact N-O 3.45Å; L114-L116 HydrophobicContact CD2-CB 3.89Å; L114-W136 WeakPolarHBondContact CA-O 3.41Å; L114-W136 HydrophobicContact CD1-CB 4.48Å; L114-W136 HydrophobicContact CG-CB 4.35Å; L114-M138 HydrophobicContact CD1-CB 4.22Å; L114-M138 HydrophobicContact CD2-CB 3.48Å; L114-M138 VanDerWaalsContact CD2-CB 3.48Å; L114-M138 HydrophobicContact CD2-SD 4.5Å; L114-M138 HydrophobicContact CG-CB 4.22Å; L114-I146 HydrophobicContact CD1-CD1 3.74Å; L114-I326 HydrophobicContact CD1-CD1 3.92Å; L114-I326 HydrophobicContact CD1-CG1 4Å; L114-I326 HydrophobicContact CD1-CG2 4.43Å
115	W	98.6	Very high	94.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.7	171.1	-179	85.3	0	0	0	109.6	H91 S117 L127 F134 W136 T137 M138 L342 W345 A346	H91-W115 HydrophobicContact CB-CZ2 3.9Å; H91-W115 AromaticContact CD2-CZ2 3.9Å; H91-W115 AromaticContact CE1-NE1 3.99Å; H91-W115 AromaticContact CG-CE2 3.67Å; H91-W115 AromaticContact CG-CZ2 3.64Å; H91-W115 AromaticContact CG-NE1 3.28Å; H91-W115 VanDerWaalsContact CG-NE1 3.28Å; H91-W115 AromaticContact ND1-CE2 3.89Å; H91-W115 AromaticContact ND1-NE1 3.07Å; H91-W115 PolarHBondContact ND1-NE1 3.31Å; W115-S117 VanDerWaalsContact CZ2-CB 3.48Å; W115-S117 VanDerWaalsContact CZ3-CB 3.46Å; W115-L127 HydrophobicContact CH2-CD1 4.46Å; W115-L127 HydrophobicContact CZ2-CD1 3.9Å; W115-L127 HydrophobicContact CZ2-CD2 4.27Å; W115-F134 HydrophobicContact CB-CB 4.14Å; W115-F134 HydrophobicContact CB-CD1 3.67Å; W115-F134 HydrophobicContact CB-CD2 3.99Å; W115-F134 HydrophobicContact CB-CE1 3.98Å; W115-F134 HydrophobicContact CB-CE2 4.25Å; W115-F134 HydrophobicContact CB-CG 3.67Å; W115-F134 HydrophobicContact CB-CZ 4.26Å; W115-F134 AromaticContact CD1-CE2 3.72Å; W115-F134 AromaticContact CD1-CZ 3.91Å; W115-F134 HydrophobicContact CG-CD2 4.38Å; W115-F134 HydrophobicContact CG-CE2 4.35Å; W115-W136 PolarHBondContact N-O 2.76Å; W115-T137 HydrophobicContact CE3-CG2 4.16Å; W115-T137 CarbonylContact O-C 3.49Å; W115-T137 WeakPolarHBondContact O-CA 3.49Å; W115-M138 PolarHBondContact O-N 2.71Å; W115-L342 HydrophobicContact CD2-CD1 4.4Å; W115-L342 HydrophobicContact CD2-CD2 4.28Å; W115-L342 HydrophobicContact CG-CD2 3.97Å; W115-W345 HydrophobicContact CE3-CH2 4.35Å; W115-W345 AromaticContact CE3-CZ3 3.82Å; W115-W345 HydrophobicContact CE3-CZ3 3.82Å; W115-W345 HydrophobicContact CH2-CZ3 4.11Å; W115-W345 HydrophobicContact CZ3-CE3 4.46Å; W115-W345 AromaticContact CZ3-CH2 3.92Å; W115-W345 HydrophobicContact CZ3-CH2 3.92Å; W115-W345 AromaticContact CZ3-CZ3 3.37Å; W115-W345 HydrophobicContact CZ3-CZ3 3.37Å; W115-A346 HydrophobicContact CH2-CB 4.26Å
116	L	98.3	Very high	94.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.1	-178.1	172.6	66.5	0	0	0	110.2	V88 F89 H90 H91 L114 M138 W319	V88-L116 HydrophobicContact CG1-CB 4.04Å; V88-L116 HydrophobicContact CG1-CD2 3.95Å; F89-L116 PolarHBondContact O-N 3.27Å; H90-L116 WeakPolarHBondContact CA-O 3.19Å; H90-L116 HydrophobicContact CB-CD2 4.35Å; H90-L116 PolarHBondContact CD2-O 3.5Å; H91-L116 WeakPolarHBondContact CB-O 3.3Å; H91-L116 PolarHBondContact N-O 3.15Å; L114-L116 HydrophobicContact CD2-CB 3.89Å; L116-M138 WeakPolarHBondContact CA-O 3.31Å; L116-M138 HydrophobicContact CD1-CB 3.7Å; L116-M138 HydrophobicContact CD1-CE 4.28Å; L116-M138 HydrophobicContact CD1-CG 3.55Å; L116-M138 HydrophobicContact CD1-SD 3.7Å; L116-W319 HydrophobicContact CD2-CE3 4.43Å; L116-W319 HydrophobicContact CD2-CZ3 3.9Å
117	S	97.3	Very high	95	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	130.9	169.1	-170.9	0	0	0	0	111.8	W115 E119 N124 M138 S139	W115-S117 VanDerWaalsContact CZ2-CB 3.48Å; W115-S117 VanDerWaalsContact CZ3-CB 3.46Å; S117-E119 PolarHBondContact OG-N 3.22Å; S117-N124 PolarHBondContact OG-OD1 2.83Å; S117-M138 PolarHBondContact N-O 3.36Å; S117-S139 VanDerWaalsContact O-CA 3.25Å; S117-S139 WeakPolarHBondContact O-CA 3.29Å; S117-S139 VanDerWaalsContact O-CB 3.28Å; S117-S139 WeakPolarHBondContact O-CB 3.5Å; S117-S139 PolarHBondContact O-OG 3.17Å
118	L	96.1	Very high	95.3	Very high	9 Å²	9	36 Å²	36	5%	0.047	22%	0.217	C	C	.	.			trans	-102.8	8.4	170	-57.2	178	0	0	0	112.2	Y140 Y150 Y240 W319	L118-Y140 WeakPolarHBondContact O-CD1 3.4Å; L118-Y150 HydrophobicContact CB-CE2 4.18Å; L118-Y150 PolarHBondContact O-OH 2.97Å; L118-Y240 WeakPolarHBondContact O-CE2 3.31Å; L118-W319 HydrophobicContact CD1-CH2 3.54Å; L118-W319 HydrophobicContact CD1-CZ2 4.4Å; L118-W319 HydrophobicContact CD1-CZ3 3.98Å; L118-W319 HydrophobicContact CG-CH2 4.27Å
119	E	95.3	Very high	95.5	Very high	50 Å²	50	39.6 Å²	39.6	23%	0.234	23%	0.228	C	C	.	.	S	Bend	trans	-89.8	144.9	179.2	-70	-67.8	168.7	0	0	111.4	S117 H123 N124	S117-E119 PolarHBondContact OG-N 3.22Å; E119-H123 HydrophobicContact CB-CB 3.99Å; E119-H123 HydrophobicContact CG-CB 4.48Å; E119-H123 IonicContact OE2-CD2 3.95Å; E119-H123 IonicContact OE2-CG 2.72Å; E119-N124 PolarHBondContact O-ND2 3.38Å
120	P	94.9	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.			trans	-67.5	161.8	176.6	31.4	-33.8	0	0	0	110.9	V122 H123 N124 S235 A237 Y240	P120-V122 VanDerWaalsContact C-N 3.33Å; P120-V122 HydrophobicContact CG-CG2 4.41Å; P120-V122 PolarHBondContact O-N 3.46Å; P120-V122 VanDerWaalsContact O-N 3.14Å; P120-H123 HydrophobicContact CG-CB 4.25Å; P120-H123 WeakPolarHBondContact O-CA 3.37Å; P120-H123 PolarHBondContact O-N 2.87Å; P120-N124 PolarHBondContact O-N 2.76Å; P120-N124 PolarHBondContact O-ND2 2.9Å; P120-S235 WeakPolarHBondContact CG-OG 3.49Å; P120-A237 HydrophobicContact CB-CB 4.16Å; P120-Y240 HydrophobicContact CB-CD1 4.2Å; P120-Y240 HydrophobicContact CB-CD2 4.21Å; P120-Y240 HydrophobicContact CB-CE1 4.25Å; P120-Y240 HydrophobicContact CB-CE2 4.23Å; P120-Y240 HydrophobicContact CB-CG 4.18Å; P120-Y240 HydrophobicContact CG-CD1 4.46Å; P120-Y240 HydrophobicContact CG-CE1 4.02Å; P120-Y240 HydrophobicContact CG-CE2 4.2Å
121	P	94.9	Very high	96.1	Very high	29 Å²	29	33.2 Å²	33.2	19%	0.188	18%	0.183	C	C	.	.	H	α-helix	trans	-44.6	-51.6	-175.5	-32.9	35	0	0	0	114.8	H123 N124 A237 A346	P121-H123 PolarHBondContact O-N 2.86Å; P121-N124 PolarHBondContact O-N 2.73Å; P121-A237 HydrophobicContact CG-CB 4.44Å; P121-A346 WeakPolarHBondContact CG-O 3.26Å
122	V	93.4	Very high	96.1	Very high	107 Å²	107	34.7 Å²	34.7	65%	0.648	20%	0.198	S	C	*	.	H	α-helix	trans	-61.6	-12.1	-178.2	-60.2	0	0	0	0	114.2	P120 S235	P120-V122 VanDerWaalsContact C-N 3.33Å; P120-V122 HydrophobicContact CG-CG2 4.41Å; P120-V122 PolarHBondContact O-N 3.46Å; P120-V122 VanDerWaalsContact O-N 3.14Å; V122-S235 WeakPolarHBondContact CG2-OG 3.39Å
123	H	93.3	Very high	96.1	Very high	44 Å²	44	35.4 Å²	35.4	20%	0.204	20%	0.204	C	C	.	.	H	α-helix	trans	-106.9	-6.2	178.4	-68.6	-21.2	0	0	0	113.5	K95 E119 P120 P121 N234	K95-H123 PolarHBondContact NZ-O 2.86Å; E119-H123 HydrophobicContact CB-CB 3.99Å; E119-H123 HydrophobicContact CG-CB 4.48Å; E119-H123 IonicContact OE2-CD2 3.95Å; E119-H123 IonicContact OE2-CG 2.72Å; P120-H123 HydrophobicContact CG-CB 4.25Å; P120-H123 WeakPolarHBondContact O-CA 3.37Å; P120-H123 PolarHBondContact O-N 2.87Å; P121-H123 PolarHBondContact O-N 2.86Å; H123-N234 PolarHBondContact CD2-ND2 3.36Å; H123-N234 PolarHBondContact NE2-ND2 2.83Å; H123-N234 VanDerWaalsContact NE2-ND2 3.18Å
124	N	93.4	Very high	96.1	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.032	20%	0.203	C	C	.	.	H	α-helix	trans	-78.2	-25.3	175.2	-70.3	-45.1	0	0	0	112.5	H91 K95 S117 E119 P120 P121 L127	H91-N124 PolarHBondContact CD2-OD1 2.82Å; H91-N124 VanDerWaalsContact CD2-OD1 3.31Å; H91-N124 PolarHBondContact NE2-O 2.74Å; K95-N124 WeakPolarHBondContact CD-O 3.35Å; S117-N124 PolarHBondContact OG-OD1 2.83Å; E119-N124 PolarHBondContact O-ND2 3.38Å; P120-N124 PolarHBondContact O-N 2.76Å; P120-N124 PolarHBondContact O-ND2 2.9Å; P121-N124 PolarHBondContact O-N 2.73Å; N124-L127 HydrophobicContact CB-CD1 4.29Å; N124-L127 HydrophobicContact CB-CD2 4.3Å; N124-L127 HydrophobicContact CB-CG 4.47Å
125	G	93.6	Very high	96	Very high	36 Å²	36	35.6 Å²	35.6	37%	0.371	21%	0.206	S	C	.	.			trans	68.7	-161	-174.3	0	0	0	0	0	111.3	L127	G125-L127 PolarHBondContact O-N 3.13Å
126	N	94.4	Very high	96	Very high	98 Å²	98	35.8 Å²	35.8	52%	0.524	21%	0.206	S	C	.	.			trans	-78.7	118.9	-177	-175.9	-13.2	0	0	0	111.8	T128	N126-T128 WeakPolarHBondContact OD1-CB 3.44Å; N126-T128 WeakPolarHBondContact OD1-CG2 3.45Å; N126-T128 PolarHBondContact OD1-N 2.89Å; N126-T128 PolarHBondContact OD1-OG1 3.39Å
127	L	97.1	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.206	C	C	.	.			trans	-100.9	-2.8	177.9	-52.5	-178.9	0	0	0	114.3	H91 W115 N124 G125 Q129 Y130 L342 E343 A346	H91-L127 WeakPolarHBondContact CE1-CD2 3.46Å; H91-L127 VanDerWaalsContact NE2-CD2 3.26Å; H91-L127 WeakPolarHBondContact NE2-CD2 3.46Å; W115-L127 HydrophobicContact CH2-CD1 4.46Å; W115-L127 HydrophobicContact CZ2-CD1 3.9Å; W115-L127 HydrophobicContact CZ2-CD2 4.27Å; N124-L127 HydrophobicContact CB-CD1 4.29Å; N124-L127 HydrophobicContact CB-CD2 4.3Å; N124-L127 HydrophobicContact CB-CG 4.47Å; G125-L127 PolarHBondContact O-N 3.13Å; L127-Q129 PolarHBondContact O-N 3.45Å; L127-Q129 VanDerWaalsContact O-N 3.11Å; L127-Y130 HydrophobicContact CB-CD2 4.3Å; L127-Y130 HydrophobicContact CD2-CD2 4.03Å; L127-Y130 HydrophobicContact CD2-CE2 4.24Å; L127-Y130 WeakPolarHBondContact O-CA 3.36Å; L127-Y130 WeakPolarHBondContact O-CB 3.46Å; L127-Y130 PolarHBondContact O-N 3.1Å; L127-L342 HydrophobicContact CB-CD2 4.43Å; L127-L342 HydrophobicContact CB-CG 4.4Å; L127-L342 HydrophobicContact CD1-CD2 4.43Å; L127-L342 HydrophobicContact CD1-CG 4.1Å; L127-E343 WeakPolarHBondContact CA-OE2 3.42Å; L127-E343 HydrophobicContact CB-CB 4.2Å; L127-E343 WeakPolarHBondContact CB-OE2 3.17Å; L127-E343 WeakPolarHBondContact CG-OE2 3.43Å; L127-E343 PolarHBondContact N-OE2 3.45Å; L127-A346 HydrophobicContact CD1-CB 3.33Å
128	T	96.8	Very high	96.1	Very high	73 Å²	73	35.7 Å²	35.7	45%	0.448	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-59.3	-30.2	-175.4	65.3	0	0	0	0	112.5	N126 Y130 N131 E343	N126-T128 WeakPolarHBondContact OD1-CB 3.44Å; N126-T128 WeakPolarHBondContact OD1-CG2 3.45Å; N126-T128 PolarHBondContact OD1-N 2.89Å; N126-T128 PolarHBondContact OD1-OG1 3.39Å; T128-Y130 PolarHBondContact O-N 3.08Å; T128-N131 VanDerWaalsContact O-CB 3.29Å; T128-N131 WeakPolarHBondContact O-CB 3.45Å; T128-N131 PolarHBondContact O-N 3.2Å; T128-E343 HydrophobicContact CG2-CB 4.05Å; T128-E343 HydrophobicContact CG2-CG 4.19Å
129	Q	95.4	Very high	96.2	Very high	129 Å²	129	35.4 Å²	35.4	60%	0.603	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-63.6	-15.1	174.3	63.7	-179.9	-22	0	0	114.1	L127	L127-Q129 PolarHBondContact O-N 3.45Å; L127-Q129 VanDerWaalsContact O-N 3.11Å
130	Y	97	Very high	96.2	Very high	17 Å²	17	33.3 Å²	33.3	7%	0.067	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-103.6	1.3	179.3	-55.1	-56.2	0	0	0	113.7	H91 L94 L101 L127 T128 G132 L133 F134	H91-Y130 AromaticContact CE1-CE2 3.81Å; L94-Y130 WeakPolarHBondContact CB-OH 3.26Å; L94-Y130 HydrophobicContact CD1-CE1 4.29Å; L101-Y130 HydrophobicContact CD1-CD1 3.73Å; L101-Y130 HydrophobicContact CD1-CE1 3.93Å; L127-Y130 HydrophobicContact CB-CD2 4.3Å; L127-Y130 HydrophobicContact CD2-CD2 4.03Å; L127-Y130 HydrophobicContact CD2-CE2 4.24Å; L127-Y130 WeakPolarHBondContact O-CA 3.36Å; L127-Y130 WeakPolarHBondContact O-CB 3.46Å; L127-Y130 PolarHBondContact O-N 3.1Å; T128-Y130 PolarHBondContact O-N 3.08Å; Y130-G132 PolarHBondContact O-N 2.93Å; Y130-L133 HydrophobicContact CD1-CD1 4.3Å; Y130-L133 WeakPolarHBondContact O-CB 3.02Å; Y130-L133 PolarHBondContact O-N 3.4Å; Y130-L133 VanDerWaalsContact O-N 3.14Å; Y130-F134 HydrophobicContact CD1-CE2 4.19Å; Y130-F134 HydrophobicContact CG-CE2 4.02Å
131	N	97	Very high	96.2	Very high	56 Å²	56	33.6 Å²	33.6	30%	0.299	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	130.4	178.4	-79.3	-1.6	0	0	0	110.9	T128 L133 Y340 L342	T128-N131 VanDerWaalsContact O-CB 3.29Å; T128-N131 WeakPolarHBondContact O-CB 3.45Å; T128-N131 PolarHBondContact O-N 3.2Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.93Å; N131-Y340 WeakPolarHBondContact CB-O 3.35Å; N131-Y340 PolarHBondContact ND2-O 3.17Å; N131-L342 PolarHBondContact OD1-N 3.22Å
132	G	96.9	Very high	96.2	Very high	32 Å²	32	34.7 Å²	34.7	33%	0.33	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-1.1	-179.8	0	0	0	0	0	115.4	Y130 V338 Y339	Y130-G132 PolarHBondContact O-N 2.93Å; G132-V338 WeakPolarHBondContact O-CG1 3.49Å; G132-Y339 PolarHBondContact N-O 3.37Å
133	L	96.6	Very high	96.3	Very high	46 Å²	46	33 Å²	33	24%	0.241	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-38.6	-176.1	-57.5	-176.6	0	0	0	113.6	L101 L103 R107 Y130 N131	L101-L133 HydrophobicContact CD1-CD1 3.56Å; L103-L133 HydrophobicContact CD2-CD1 4.42Å; L103-L133 HydrophobicContact CD2-CD2 4.29Å; R107-L133 PolarHBondContact NH1-O 3.12Å; R107-L133 VanDerWaalsContact NH1-O 3.1Å; Y130-L133 HydrophobicContact CD1-CD1 4.3Å; Y130-L133 WeakPolarHBondContact O-CB 3.02Å; Y130-L133 PolarHBondContact O-N 3.4Å; Y130-L133 VanDerWaalsContact O-N 3.14Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.93Å
134	F	98.3	Very high	96.5	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	19%	0.194	C	C	.	.			trans	-97.5	141.5	-172.5	-67.1	-75.8	0	0	0	112.5	F89 L94 L101 W113 W115 Y130 V338 Y339 L342	F89-F134 HydrophobicContact CB-CE1 3.93Å; F89-F134 HydrophobicContact CB-CZ 4.16Å; F89-F134 AromaticContact CD2-CE1 3.63Å; F89-F134 HydrophobicContact CD2-CE1 3.63Å; F89-F134 HydrophobicContact CD2-CZ 4.41Å; F89-F134 HydrophobicContact CE2-CE1 4.44Å; F89-F134 HydrophobicContact CG-CE1 4.02Å; F89-F134 HydrophobicContact CG-CZ 4.41Å; L94-F134 HydrophobicContact CD1-CZ 3.9Å; L101-F134 HydrophobicContact CD1-CZ 4.49Å; L101-F134 HydrophobicContact CD2-CZ 4.1Å; W113-F134 HydrophobicContact CB-CD1 3.95Å; W113-F134 HydrophobicContact CB-CE1 4.45Å; W115-F134 HydrophobicContact CB-CB 4.14Å; W115-F134 HydrophobicContact CB-CD1 3.67Å; W115-F134 HydrophobicContact CB-CD2 3.99Å; W115-F134 HydrophobicContact CB-CE1 3.98Å; W115-F134 HydrophobicContact CB-CE2 4.25Å; W115-F134 HydrophobicContact CB-CG 3.67Å; W115-F134 HydrophobicContact CB-CZ 4.26Å; W115-F134 AromaticContact CD1-CE2 3.72Å; W115-F134 AromaticContact CD1-CZ 3.91Å; W115-F134 HydrophobicContact CG-CD2 4.38Å; W115-F134 HydrophobicContact CG-CE2 4.35Å; Y130-F134 HydrophobicContact CD1-CE2 4.19Å; Y130-F134 HydrophobicContact CG-CE2 4.02Å; F134-V338 WeakPolarHBondContact O-CA 3.43Å; F134-Y339 PolarHBondContact O-N 2.9Å; F134-L342 HydrophobicContact CD2-CD2 3.78Å; F134-L342 HydrophobicContact CE2-CD2 4.26Å
135	N	98.4	Very high	96.7	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.059	20%	0.196	C	C	.	.	S	Bend	trans	-93.3	-41.3	177.1	-55.1	90.9	0	0	0	111.9	R107 R112 W113 K337 Y339	R107-N135 PolarHBondContact NH2-OD1 3.2Å; R112-N135 HydrophobicContact CB-CB 4.49Å; W113-N135 PolarHBondContact N-OD1 3.12Å; W113-N135 PolarHBondContact O-N 3.35Å; N135-K337 VanDerWaalsContact CA-O 3.3Å; N135-K337 WeakPolarHBondContact CA-O 3.4Å; N135-K337 VanDerWaalsContact CB-O 3.26Å; N135-K337 WeakPolarHBondContact CB-O 3.45Å; N135-K337 PolarHBondContact ND2-O 3.48Å; N135-Y339 WeakPolarHBondContact O-CD2 3.47Å; N135-Y339 WeakPolarHBondContact O-CE2 3.35Å
136	W	98.5	Very high	96.9	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.7	-171.9	-55.9	-33.3	0	0	0	111.2	V86 R112 W113 L114 W115 D145 Y330 L333 P334	V86-W136 HydrophobicContact CG1-CE3 4.3Å; V86-W136 HydrophobicContact CG1-CZ3 4.18Å; V86-W136 HydrophobicContact CG2-CH2 4.4Å; V86-W136 HydrophobicContact CG2-CZ3 3.65Å; R112-W136 HydrophobicContact CB-CD2 4.19Å; R112-W136 HydrophobicContact CB-CE3 3.86Å; R112-W136 HydrophobicContact CB-CH2 3.79Å; R112-W136 HydrophobicContact CB-CZ2 4.07Å; R112-W136 HydrophobicContact CB-CZ3 3.66Å; R112-W136 HydrophobicContact CG-CE3 4.43Å; R112-W136 HydrophobicContact CG-CH2 3.53Å; R112-W136 HydrophobicContact CG-CZ2 3.56Å; R112-W136 HydrophobicContact CG-CZ3 3.97Å; W113-W136 PolarHBondContact O-N 3.29Å; L114-W136 WeakPolarHBondContact CA-O 3.41Å; L114-W136 HydrophobicContact CD1-CB 4.48Å; L114-W136 HydrophobicContact CG-CB 4.35Å; W115-W136 PolarHBondContact N-O 2.76Å; W136-D145 WeakPolarHBondContact CA-OD2 3.47Å; W136-D145 HydrophobicContact CB-CB 4.13Å; W136-Y330 AromaticContact CH2-CD2 3.77Å; W136-Y330 HydrophobicContact CH2-CD2 3.77Å; W136-Y330 AromaticContact CH2-CE2 3.65Å; W136-Y330 HydrophobicContact CH2-CE2 3.65Å; W136-Y330 HydrophobicContact CZ3-CD2 4.03Å; W136-Y330 HydrophobicContact CZ3-CE2 4.11Å; W136-L333 HydrophobicContact CD2-CB 4.23Å; W136-L333 HydrophobicContact CD2-CD1 3.72Å; W136-L333 HydrophobicContact CD2-CG 4.46Å; W136-L333 HydrophobicContact CE3-CD1 3.6Å; W136-L333 HydrophobicContact CG-CD1 4.34Å; W136-L333 HydrophobicContact CH2-CB 4.06Å; W136-L333 HydrophobicContact CH2-CD1 3.91Å; W136-L333 HydrophobicContact CZ2-CB 3.52Å; W136-L333 HydrophobicContact CZ2-CD1 4.07Å; W136-L333 HydrophobicContact CZ2-CG 4.43Å; W136-L333 HydrophobicContact CZ3-CD1 3.69Å; W136-P334 PolarHBondContact NE1-O 2.89Å
137	T	98.3	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.5	173.5	55.9	0	0	0	0	111	W115 D145 I146 Y339 L342 W345	W115-T137 HydrophobicContact CE3-CG2 4.16Å; W115-T137 CarbonylContact O-C 3.49Å; W115-T137 WeakPolarHBondContact O-CA 3.49Å; T137-D145 PolarHBondContact N-OD2 3.21Å; T137-D145 WeakPolarHBondContact O-CB 3.4Å; T137-D145 PolarHBondContact O-N 3.21Å; T137-D145 PolarHBondContact OG1-N 3.39Å; T137-D145 PolarHBondContact OG1-OD2 2.94Å; T137-I146 PolarHBondContact O-N 3.22Å; T137-Y339 HydrophobicContact CG2-CD2 4.03Å; T137-Y339 HydrophobicContact CG2-CE1 4.2Å; T137-Y339 HydrophobicContact CG2-CE2 3.56Å; T137-Y339 HydrophobicContact CG2-CG 4.49Å; T137-Y339 PolarHBondContact OG1-OH 2.82Å; T137-Y339 VanDerWaalsContact OG1-OH 3.1Å; T137-L342 HydrophobicContact CG2-CD1 3.93Å; T137-W345 HydrophobicContact CG2-CD2 3.98Å; T137-W345 HydrophobicContact CG2-CE3 3.7Å; T137-W345 HydrophobicContact CG2-CH2 3.61Å; T137-W345 HydrophobicContact CG2-CZ2 3.85Å; T137-W345 HydrophobicContact CG2-CZ3 3.52Å; T137-W345 WeakPolarHBondContact OG1-CH2 3.3Å; T137-W345 WeakPolarHBondContact OG1-CZ2 3.48Å
138	M	98.4	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.1	169.6	-173.2	175.8	173.2	0	0	108.9	L114 W115 L116 S117 I146 M148 R322 I326	L114-M138 HydrophobicContact CD1-CB 4.22Å; L114-M138 HydrophobicContact CD2-CB 3.48Å; L114-M138 VanDerWaalsContact CD2-CB 3.48Å; L114-M138 HydrophobicContact CD2-SD 4.5Å; L114-M138 HydrophobicContact CG-CB 4.22Å; W115-M138 PolarHBondContact O-N 2.71Å; L116-M138 WeakPolarHBondContact CA-O 3.31Å; L116-M138 HydrophobicContact CD1-CB 3.7Å; L116-M138 HydrophobicContact CD1-CE 4.28Å; L116-M138 HydrophobicContact CD1-CG 3.55Å; L116-M138 HydrophobicContact CD1-SD 3.7Å; S117-M138 PolarHBondContact N-O 3.36Å; M138-I146 VanDerWaalsContact CA-O 3.31Å; M138-I146 WeakPolarHBondContact CA-O 3.47Å; M138-I146 HydrophobicContact CB-CB 4.19Å; M138-I146 HydrophobicContact CE-CG2 4.3Å; M138-I146 HydrophobicContact CG-CB 3.97Å; M138-I146 HydrophobicContact CG-CG2 3.97Å; M138-I146 HydrophobicContact SD-CG2 4.2Å; M138-M148 HydrophobicContact CE-CB 3.57Å; M138-M148 HydrophobicContact CE-CE 3.55Å; M138-M148 HydrophobicContact CE-CG 3.59Å; M138-M148 HydrophobicContact CE-SD 4.36Å; M138-M148 HydrophobicContact CG-CB 4.34Å; M138-R322 HydrophobicContact CE-CB 3.83Å; M138-R322 WeakPolarHBondContact CE-O 3.35Å; M138-I326 HydrophobicContact SD-CD1 4.44Å; M138-I326 HydrophobicContact SD-CG1 4.23Å
139	S	97.4	Very high	96.7	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	170.9	-173.6	-168.7	0	0	0	0	111.9	S117 R141 I146 S147 M148	S117-S139 VanDerWaalsContact O-CA 3.25Å; S117-S139 WeakPolarHBondContact O-CA 3.29Å; S117-S139 VanDerWaalsContact O-CB 3.28Å; S117-S139 WeakPolarHBondContact O-CB 3.5Å; S117-S139 PolarHBondContact O-OG 3.17Å; S139-R141 PolarHBondContact O-N 3.41Å; S139-I146 PolarHBondContact N-O 3.07Å; S139-S147 CarbonylContact O-C 3.54Å; S139-M148 PolarHBondContact O-N 2.99Å
140	Y	95.8	Very high	96.7	Very high	7 Å²	7	21.1 Å²	21.1	3%	0.027	13%	0.133	C	C	.	.	S	Bend	trans	-67	-21.6	173.1	64.8	-96.7	0	0	0	112.6	L118 L238 D239 Y240	L118-Y140 WeakPolarHBondContact O-CD1 3.4Å; Y140-L238 VanDerWaalsContact CE2-O 3.28Å; Y140-L238 WeakPolarHBondContact CE2-O 3.46Å; Y140-D239 HydrophobicContact CD2-CB 4.4Å; Y140-D239 WeakPolarHBondContact CD2-O 3.48Å; Y140-Y240 AromaticContact CD1-CD2 3.77Å; Y140-Y240 HydrophobicContact CD1-CD2 3.77Å; Y140-Y240 HydrophobicContact CD1-CE2 4.22Å; Y140-Y240 HydrophobicContact CD2-CD2 4.04Å; Y140-Y240 AromaticContact CE1-CD2 3.47Å; Y140-Y240 HydrophobicContact CE1-CD2 3.47Å; Y140-Y240 VanDerWaalsContact CE1-CD2 3.47Å; Y140-Y240 HydrophobicContact CE1-CE2 4.03Å; Y140-Y240 HydrophobicContact CE1-CG 4.46Å; Y140-Y240 VanDerWaalsContact CE2-CA 3.47Å; Y140-Y240 AromaticContact CE2-CD2 3.75Å; Y140-Y240 HydrophobicContact CE2-CD2 3.75Å; Y140-Y240 HydrophobicContact CE2-CG 4.14Å; Y140-Y240 HydrophobicContact CG-CD2 4.06Å; Y140-Y240 AromaticContact CZ-CD2 3.46Å; Y140-Y240 VanDerWaalsContact CZ-CD2 3.46Å
141	R	95.3	Very high	96.6	Very high	6 Å²	6	20.4 Å²	20.4	2%	0.023	13%	0.131	C	C	.	.	S	Bend	trans	-61.4	143.7	-178.5	-67.8	173.2	59	126.2	9.8	112.1	S139 D143 S147 W345 R348	S139-R141 PolarHBondContact O-N 3.41Å; R141-D143 VanDerWaalsContact C-N 3.25Å; R141-D143 WeakPolarHBondContact CB-OD1 3.44Å; R141-D143 IonicContact CZ-OD1 2.82Å; R141-D143 IonicContact CZ-OD2 3.2Å; R141-D143 IonicContact NE-OD1 3.44Å; R141-D143 PolarHBondContact NE-OD1 2.9Å; R141-D143 IonicContact NE-OD2 3.38Å; R141-D143 IonicContact NH2-OD1 2.81Å; R141-D143 PolarHBondContact NH2-OD1 3.14Å; R141-D143 VanDerWaalsContact NH2-OD1 3.14Å; R141-D143 IonicContact NH2-OD2 2.81Å; R141-D143 PolarHBondContact NH2-OD2 2.92Å; R141-D143 PolarHBondContact O-N 3.47Å; R141-S147 VanDerWaalsContact O-CB 3.29Å; R141-S147 WeakPolarHBondContact O-CB 3.42Å; R141-S147 PolarHBondContact O-OG 2.93Å; R141-W345 PolarHBondContact NH1-O 2.92Å; R141-R348 PolarHBondContact NH1-O 3.41Å
142	G	94.9	Very high	96.5	Very high	51 Å²	51	21.4 Å²	21.4	53%	0.526	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.1	175.8	0	0	0	0	0	113.7	D239	G142-D239 PolarHBondContact N-OD2 3.12Å
143	D	95.3	Very high	96.3	Very high	72 Å²	72	21.6 Å²	21.6	39%	0.385	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	12.9	-177.7	73.3	-23.9	0	0	0	114.3	R141 R348	R141-D143 VanDerWaalsContact C-N 3.25Å; R141-D143 WeakPolarHBondContact CB-OD1 3.44Å; R141-D143 IonicContact CZ-OD1 2.82Å; R141-D143 IonicContact CZ-OD2 3.2Å; R141-D143 IonicContact NE-OD1 3.44Å; R141-D143 PolarHBondContact NE-OD1 2.9Å; R141-D143 IonicContact NE-OD2 3.38Å; R141-D143 IonicContact NH2-OD1 2.81Å; R141-D143 PolarHBondContact NH2-OD1 3.14Å; R141-D143 VanDerWaalsContact NH2-OD1 3.14Å; R141-D143 IonicContact NH2-OD2 2.81Å; R141-D143 PolarHBondContact NH2-OD2 2.92Å; R141-D143 PolarHBondContact O-N 3.47Å; D143-R348 IonicContact OD2-CZ 3.56Å; D143-R348 IonicContact OD2-NH1 3.2Å; D143-R348 IonicContact OD2-NH2 3.99Å; D143-R348 PolarHBondContact OD2-NH2 3.48Å
144	A	97.3	Very high	96.2	Very high	11 Å²	11	20.5 Å²	20.5	9%	0.091	12%	0.121	C	C	.	.	S	Bend	trans	-71.5	155.4	166.8	0	0	0	0	0	110.9	I146 W345	A144-I146 PolarHBondContact O-N 3.46Å; A144-W345 HydrophobicContact CB-CH2 4.46Å; A144-W345 HydrophobicContact CB-CZ2 3.97Å
145	D	97.9	Very high	95.9	Very high	16 Å²	16	24.8 Å²	24.8	9%	0.086	15%	0.149	C	C	.	.	S	Bend	trans	-56.6	-40.7	174.8	-68.4	-66.1	0	0	0	110.9	W136 T137 R332 L333 K337 Y339	W136-D145 WeakPolarHBondContact CA-OD2 3.47Å; W136-D145 HydrophobicContact CB-CB 4.13Å; T137-D145 PolarHBondContact N-OD2 3.21Å; T137-D145 WeakPolarHBondContact O-CB 3.4Å; T137-D145 PolarHBondContact O-N 3.21Å; T137-D145 PolarHBondContact OG1-N 3.39Å; T137-D145 PolarHBondContact OG1-OD2 2.94Å; D145-R332 PolarHBondContact O-NH1 2.91Å; D145-R332 PolarHBondContact O-NH2 2.83Å; D145-L333 HydrophobicContact CB-CD2 3.72Å; D145-K337 VanDerWaalsContact CG-NZ 3.35Å; D145-K337 IonicContact OD1-NZ 3.37Å; D145-K337 PolarHBondContact OD1-NZ 2.83Å; D145-K337 IonicContact OD2-NZ 3.14Å; D145-K337 PolarHBondContact OD2-NZ 3.33Å; D145-Y339 WeakPolarHBondContact OD2-CE2 3.26Å; D145-Y339 VanDerWaalsContact OD2-CZ 3.28Å; D145-Y339 PolarHBondContact OD2-OH 2.85Å
146	I	97.8	Very high	95.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	101.8	171.1	-53.2	-179.6	0	0	0	108.8	L114 T137 M138 S139 A144 M148 I326 N329 L333	L114-I146 HydrophobicContact CD1-CD1 3.74Å; T137-I146 PolarHBondContact O-N 3.22Å; M138-I146 VanDerWaalsContact CA-O 3.31Å; M138-I146 WeakPolarHBondContact CA-O 3.47Å; M138-I146 HydrophobicContact CB-CB 4.19Å; M138-I146 HydrophobicContact CE-CG2 4.3Å; M138-I146 HydrophobicContact CG-CB 3.97Å; M138-I146 HydrophobicContact CG-CG2 3.97Å; M138-I146 HydrophobicContact SD-CG2 4.2Å; S139-I146 PolarHBondContact N-O 3.07Å; A144-I146 PolarHBondContact O-N 3.46Å; I146-M148 HydrophobicContact CG2-CE 4.5Å; I146-I326 HydrophobicContact CD1-CB 4.14Å; I146-I326 HydrophobicContact CD1-CG1 3.81Å; I146-I326 HydrophobicContact CD1-CG2 4.09Å; I146-N329 HydrophobicContact CD1-CB 4.38Å; I146-N329 HydrophobicContact CG1-CB 4.18Å; I146-L333 HydrophobicContact CD1-CD1 3.87Å; I146-L333 HydrophobicContact CG1-CD1 4.02Å; I146-L333 HydrophobicContact CG1-CD2 4.24Å
147	S	95.9	Very high	94	Very high	45 Å²	45	30.9 Å²	30.9	32%	0.315	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.8	173.3	-170.3	0	0	0	0	110.7	S139 R141	S139-S147 CarbonylContact O-C 3.54Å; R141-S147 VanDerWaalsContact O-CB 3.29Å; R141-S147 WeakPolarHBondContact O-CB 3.42Å; R141-S147 PolarHBondContact O-OG 2.93Å
148	M	93.8	Very high	92.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	22%	0.223	C	C	.	.			trans	-140.1	72.7	-179.5	-164.2	62.1	59.4	0	0	111	M138 S139 I146 Y316 R322 N325	M138-M148 HydrophobicContact CE-CB 3.57Å; M138-M148 HydrophobicContact CE-CE 3.55Å; M138-M148 HydrophobicContact CE-CG 3.59Å; M138-M148 HydrophobicContact CE-SD 4.36Å; M138-M148 HydrophobicContact CG-CB 4.34Å; S139-M148 PolarHBondContact O-N 2.99Å; I146-M148 HydrophobicContact CG2-CE 4.5Å; M148-Y316 HydrophobicContact SD-CD1 3.65Å; M148-Y316 HydrophobicContact SD-CD2 4.17Å; M148-Y316 HydrophobicContact SD-CE1 3.77Å; M148-Y316 HydrophobicContact SD-CE2 4.29Å; M148-Y316 HydrophobicContact SD-CG 3.82Å; M148-R322 HydrophobicContact CG-CB 4.3Å; M148-R322 HydrophobicContact CG-CG 3.8Å; M148-R322 PolarHBondContact O-NH1 3.15Å; M148-R322 HydrophobicContact SD-CG 4.1Å; M148-N325 HydrophobicContact CE-CB 3.36Å
149	P	94	Very high	90.3	Very high	22 Å²	22	46.2 Å²	46.2	14%	0.143	27%	0.265	C	S	.	.			trans	-61.9	166.2	177.4	28.6	-35.9	0	0	0	111.3	G151 Y316	P149-G151 PolarHBondContact O-N 3.15Å; P149-Y316 WeakPolarHBondContact O-CD2 3.35Å
150	Y	95.6	Very high	87.9	Confident	40 Å²	40	48.2 Å²	48.2	16%	0.157	29%	0.286	C	S	.	.	S	Bend	trans	-67.7	-26.3	179.1	-79.1	-104.8	0	0	0	113.1	L118 Y240 T242 Y316	L118-Y150 HydrophobicContact CB-CE2 4.18Å; L118-Y150 PolarHBondContact O-OH 2.97Å; Y150-Y240 HydrophobicContact CE2-CE2 4.46Å; Y150-T242 HydrophobicContact CD2-CG2 4.1Å; Y150-T242 HydrophobicContact CE2-CG2 3.84Å; Y150-Y316 PolarHBondContact O-N 2.95Å; Y150-Y316 VanDerWaalsContact O-N 3.12Å
151	G	95.1	Very high	85.6	Confident	2 Å²	2	54 Å²	54	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	174.4	173.2	0	0	0	0	0	111.7	P149 W246 K314	P149-G151 PolarHBondContact O-N 3.15Å; G151-W246 VanDerWaalsContact O-CZ2 3.24Å; G151-W246 WeakPolarHBondContact O-CZ2 3.18Å; G151-K314 CarbonylContact C-O 3.55Å; G151-K314 WeakPolarHBondContact CA-O 3.35Å
152	K	94.9	Very high	83.2	Confident	78 Å²	78	58.5 Å²	58.5	34%	0.339	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.9	173.8	63.4	176.6	-179.8	-173.9	0	110.8	V154 I313 K314 Y316	K152-V154 HydrophobicContact CD-CG1 4.1Å; K152-V154 HydrophobicContact CG-CG1 4Å; K152-I313 WeakPolarHBondContact O-CA 3.33Å; K152-K314 HydrophobicContact CG-CB 4.13Å; K152-K314 PolarHBondContact N-O 2.97Å; K152-K314 PolarHBondContact O-N 3.42Å; K152-Y316 HydrophobicContact CD-CE2 4.16Å; K152-Y316 WeakPolarHBondContact CD-OH 3.49Å; K152-Y316 WeakPolarHBondContact CE-OH 3.47Å; K152-Y316 HydrophobicContact CG-CE2 4.13Å; K152-Y316 PolarHBondContact NZ-OH 3.47Å
153	I	93.9	Very high	80.8	Confident	35 Å²	35	63.2 Å²	63.2	18%	0.179	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.6	171.1	-63.9	-175.8	0	0	0	108.4	W246 V270 P271 W307 H311 R312	I153-W246 HydrophobicContact CG1-CH2 4.12Å; I153-W246 HydrophobicContact CG1-CZ3 3.76Å; I153-V270 HydrophobicContact CD1-CB 3.9Å; I153-V270 HydrophobicContact CD1-CG1 3.83Å; I153-V270 HydrophobicContact CG1-CG1 4.41Å; I153-P271 HydrophobicContact CD1-CG 4.18Å; I153-W307 HydrophobicContact CD1-CE3 4.18Å; I153-W307 HydrophobicContact CD1-CZ3 4Å; I153-W307 HydrophobicContact CG1-CZ3 4.28Å; I153-H311 HydrophobicContact CG2-CB 3.29Å; I153-R312 WeakPolarHBondContact CA-O 3.41Å
154	V	93.3	Very high	78.5	Confident	23 Å²	23	63 Å²	63	14%	0.139	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.8	177.8	-60.4	0	0	0	0	109.8	K152 H311 R312 K314	K152-V154 HydrophobicContact CD-CG1 4.1Å; K152-V154 HydrophobicContact CG-CG1 4Å; V154-H311 CarbonylContact O-C 3.36Å; V154-H311 VanDerWaalsContact O-CA 3.29Å; V154-H311 WeakPolarHBondContact O-CA 3.43Å; V154-H311 WeakPolarHBondContact O-CB 3.37Å; V154-R312 HydrophobicContact CG2-CG 3.51Å; V154-R312 PolarHBondContact N-O 3.16Å; V154-R312 PolarHBondContact O-N 2.82Å; V154-K314 HydrophobicContact CG1-CB 4.15Å; V154-K314 HydrophobicContact CG2-CB 4.3Å
155	P	91.4	Very high	76.5	Confident	92 Å²	92	68 Å²	68	60%	0.597	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	148.3	177.6	26.3	-34.1	0	0	0	111.1	T310	P155-T310 WeakPolarHBondContact CA-O 3.5Å
156	V	84.6	Confident	75.3	Confident	64 Å²	64	71.4 Å²	71.4	39%	0.388	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-74.9	125.1	168.8	178.5	0	0	0	0	107.9	H158 T310 R312	V156-H158 PolarHBondContact O-N 3.45Å; V156-T310 PolarHBondContact N-O 2.93Å; V156-R312 HydrophobicContact CG2-CB 4.42Å
157	P	73.9	Confident	74.8	Confident	79 Å²	79	74.5 Å²	74.5	51%	0.513	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-59.9	131.3	-179.8	-22.8	32.7	0	0	0	112.2	N159 G160	P157-N159 PolarHBondContact O-N 3.02Å; P157-G160 PolarHBondContact O-N 3.18Å; P157-G160 VanDerWaalsContact O-N 3.1Å
158	H	63.5	Low	74.5	Confident	158 Å²	158	78 Å²	78	73%	0.731	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-59.5	-26	177.6	-75.9	-64.8	0	0	0	113.8	V156 G160 I161	V156-H158 PolarHBondContact O-N 3.45Å; H158-G160 PolarHBondContact O-N 3.39Å; H158-I161 VanDerWaalsContact O-CD1 3.3Å; H158-I161 WeakPolarHBondContact O-CD1 3.5Å; H158-I161 WeakPolarHBondContact O-CG1 3.3Å; H158-I161 PolarHBondContact O-N 3.42Å
159	N	54.9	Low	74.5	Confident	165 Å²	165	79.8 Å²	79.8	88%	0.882	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-81.3	-0.6	-179.5	-64.2	-8.7	0	0	0	113.5	P157	P157-N159 PolarHBondContact O-N 3.02Å
160	G	47.2	Very low	74.4	Confident	45 Å²	45	81.1 Å²	81.1	46%	0.464	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-93.9	12.2	171.3	0	0	0	0	0	113.8	P157 H158 S162	P157-G160 PolarHBondContact O-N 3.18Å; P157-G160 VanDerWaalsContact O-N 3.1Å; H158-G160 PolarHBondContact O-N 3.39Å; G160-S162 PolarHBondContact O-N 3.28Å
161	I	48.1	Very low	74.3	Confident	129 Å²	129	88.3 Å²	88.3	66%	0.662	52%	0.518	S	S	*	.			trans	-76.2	40.4	169.1	-49.9	164.5	0	0	0	109.6	H158 N163	H158-I161 VanDerWaalsContact O-CD1 3.3Å; H158-I161 WeakPolarHBondContact O-CD1 3.5Å; H158-I161 WeakPolarHBondContact O-CG1 3.3Å; H158-I161 PolarHBondContact O-N 3.42Å; I161-N163 PolarHBondContact O-N 3.31Å
162	S	44.8	Very low	74.3	Confident	99 Å²	99	90.3 Å²	90.3	69%	0.692	53%	0.526	S	S	*	.	S	Bend	trans	-83.6	91.8	154.2	41.7	0	0	0	0	106.3	G160	G160-S162 PolarHBondContact O-N 3.28Å
163	N	42.9	Very low	73.9	Confident	150 Å²	150	88.5 Å²	88.5	80%	0.802	53%	0.529	S	S	*	.	S	Bend	trans	68	81.1	176.9	-64.2	-15.8	0	0	0	116.5	I161 S165	I161-N163 PolarHBondContact O-N 3.31Å; N163-S165 PolarHBondContact O-N 3.26Å
164	G	47.7	Very low	73.9	Confident	69 Å²	69	92.2 Å²	92.2	71%	0.711	57%	0.565	S	S	*	*			trans	38.4	30.1	132.3	0	0	0	0	0	120.9	S166	G164-S166 VanDerWaalsContact C-N 3.25Å; G164-S166 PolarHBondContact O-N 3.06Å
165	S	54.9	Low	74.1	Confident	114 Å²	114	91.7 Å²	91.7	80%	0.797	56%	0.562	S	S	*	*			trans	-80	80.5	178.4	53.9	0	0	0	0	109.2	N163 Y167	N163-S165 PolarHBondContact O-N 3.26Å; S165-Y167 PolarHBondContact O-N 3.47Å
166	S	73.4	Confident	74.5	Confident	88 Å²	88	88.3 Å²	88.3	62%	0.615	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-53.9	137	163.4	57.4	0	0	0	0	108.4	G164 V168	G164-S166 VanDerWaalsContact C-N 3.25Å; G164-S166 PolarHBondContact O-N 3.06Å; S166-V168 PolarHBondContact O-N 3.35Å; S166-V168 VanDerWaalsContact O-N 3.08Å
167	Y	86	Confident	75.2	Confident	65 Å²	65	85.3 Å²	85.3	26%	0.255	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-55	120.6	174.6	172.9	-95.3	0	0	0	109.7	S165 I169 G253 F305 R308	S165-Y167 PolarHBondContact O-N 3.47Å; Y167-I169 HydrophobicContact CD1-CG1 4.27Å; Y167-I169 HydrophobicContact CE1-CG1 3.99Å; Y167-G253 WeakPolarHBondContact OH-CA 3.4Å; Y167-F305 HydrophobicContact CD1-CB 4.33Å; Y167-F305 HydrophobicContact CD1-CD1 4.43Å; Y167-F305 HydrophobicContact CE1-CB 4.27Å; Y167-F305 AromaticContact CE1-CD1 3.59Å; Y167-F305 HydrophobicContact CE1-CD1 3.59Å; Y167-F305 HydrophobicContact CE1-CE1 4.32Å; Y167-F305 HydrophobicContact CE1-CG 4.2Å; Y167-R308 VanDerWaalsContact CB-CB 3.49Å; Y167-R308 HydrophobicContact CD1-CB 3.76Å; Y167-R308 HydrophobicContact CD1-CG 3.8Å; Y167-R308 HydrophobicContact CD2-CB 4.12Å; Y167-R308 HydrophobicContact CD2-CG 4.08Å; Y167-R308 HydrophobicContact CE1-CG 4.09Å; Y167-R308 HydrophobicContact CE2-CG 4.36Å; Y167-R308 HydrophobicContact CG-CB 3.51Å; Y167-R308 HydrophobicContact CG-CG 3.79Å
168	V	90.5	Very high	76.3	Confident	118 Å²	118	81.6 Å²	81.6	72%	0.715	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-91	117.8	179.4	-177.2	0	0	0	0	108.7	S166 P170	S166-V168 PolarHBondContact O-N 3.35Å; S166-V168 VanDerWaalsContact O-N 3.08Å; V168-P170 WeakPolarHBondContact O-CD 3.23Å
169	I	93.2	Very high	78	Confident	41 Å²	41	74.2 Å²	74.2	21%	0.21	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-66.5	126.2	173.1	-62	164.4	0	0	0	108	Y167 Y301 E302 F305	Y167-I169 HydrophobicContact CD1-CG1 4.27Å; Y167-I169 HydrophobicContact CE1-CG1 3.99Å; I169-Y301 HydrophobicContact CG2-CE1 4.22Å; I169-E302 HydrophobicContact CD1-CB 4.07Å; I169-E302 HydrophobicContact CD1-CG 3.71Å; I169-F305 HydrophobicContact CD1-CB 3.96Å; I169-F305 HydrophobicContact CD1-CD2 3.52Å; I169-F305 HydrophobicContact CD1-CE2 4.2Å; I169-F305 HydrophobicContact CD1-CG 3.82Å; I169-F305 HydrophobicContact CG1-CB 4.04Å; I169-F305 HydrophobicContact CG1-CD1 4.23Å; I169-F305 HydrophobicContact CG1-CD2 3.86Å; I169-F305 HydrophobicContact CG1-CE2 4.39Å; I169-F305 HydrophobicContact CG1-CG 3.76Å; I169-F305 HydrophobicContact CG2-CE2 4.37Å; I169-F305 HydrophobicContact CG2-CZ 4.49Å
170	P	93.4	Very high	80.1	Confident	50 Å²	50	67.7 Å²	67.7	33%	0.325	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-57.9	144	178.4	-26.4	36.3	0	0	0	111.9	V168 K172	V168-P170 WeakPolarHBondContact O-CD 3.23Å; P170-K172 WeakPolarHBondContact O-CD 3.36Å; P170-K172 WeakPolarHBondContact O-CE 3.49Å; P170-K172 PolarHBondContact O-N 3.28Å
171	K	92.9	Very high	82.5	Confident	191 Å²	191	65.8 Å²	65.8	83%	0.83	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-59.5	123.7	176.9	-176.1	178.8	178.4	-179.2	0	110
172	K	94.3	Very high	84.6	Confident	44 Å²	44	62.9 Å²	62.9	19%	0.191	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-84.5	140.7	179.8	-54	-55.8	-178.9	173.1	0	111.2	P170 G224 C226 N227 G253 Y301	P170-K172 WeakPolarHBondContact O-CD 3.36Å; P170-K172 WeakPolarHBondContact O-CE 3.49Å; P170-K172 PolarHBondContact O-N 3.28Å; K172-G224 WeakPolarHBondContact CD-O 3.47Å; K172-G224 PolarHBondContact NZ-O 3.27Å; K172-C226 WeakPolarHBondContact CD-O 3.42Å; K172-C226 PolarHBondContact NZ-O 3.38Å; K172-N227 WeakPolarHBondContact CB-OD1 3.41Å; K172-N227 VanDerWaalsContact CG-OD1 3.3Å; K172-N227 WeakPolarHBondContact CG-OD1 3.37Å; K172-G253 WeakPolarHBondContact CE-O 3.26Å; K172-G253 PolarHBondContact NZ-O 2.94Å; K172-Y301 VanDerWaalsContact CE-OH 3.25Å; K172-Y301 WeakPolarHBondContact CE-OH 3.25Å
173	G	87.8	Confident	86.8	Confident	40 Å²	40	61.2 Å²	61.2	41%	0.412	38%	0.382	S	S	.	.			trans	-90.3	-163.9	171.1	0	0	0	0	0	111.3	C175 H225	G173-C175 PolarHBondContact O-N 3.33Å; G173-H225 PolarHBondContact N-O 3.38Å
174	A	93.4	Very high	89.2	Confident	113 Å²	113	55.9 Å²	55.9	93%	0.934	35%	0.351	S	S	*	.	S	Bend	trans	-73.4	-7.5	174.3	0	0	0	0	0	113.6	L176	A174-L176 PolarHBondContact O-N 3.38Å
175	C	98.2	Very high	91.4	Very high	11 Å²	11	58.9 Å²	58.9	7%	0.074	34%	0.341	C	S	.	.			trans	-69	119.1	-179.7	176.6	0	0	0	0	111	G173 C226 N227	G173-C175 PolarHBondContact O-N 3.33Å; C175-C226 HydrophobicContact CB-CB 3.82Å; C175-C226 WeakPolarHBondContact CB-SG 3.39Å; C175-C226 VanDerWaalsContact O-CA 3.31Å; C175-C226 WeakPolarHBondContact O-CA 3.25Å; C175-C226 WeakPolarHBondContact SG-CB 3.34Å; C175-C226 CovalentContact SG-SG 2.03Å; C175-C226 PolarHBondContact SG-SG 2.9Å; C175-N227 PolarHBondContact O-N 3.02Å; C175-N227 VanDerWaalsContact O-N 3.15Å
176	L	98.6	Very high	93.3	Very high	22 Å²	22	58.1 Å²	58.1	12%	0.115	33%	0.334	C	S	.	.			trans	-74.5	-57.7	175.6	-176.1	63.8	0	0	0	111.1	A174 I201 P202 N227 F228 Q292 A295	A174-L176 PolarHBondContact O-N 3.38Å; L176-I201 HydrophobicContact CD2-CB 3.8Å; L176-I201 HydrophobicContact CD2-CD1 4.33Å; L176-I201 HydrophobicContact CD2-CG2 3.65Å; L176-P202 HydrophobicContact CB-CG 4.32Å; L176-N227 WeakPolarHBondContact O-CB 3.22Å; L176-N227 PolarHBondContact O-N 2.7Å; L176-F228 HydrophobicContact CD1-CD2 3.99Å; L176-F228 HydrophobicContact CD1-CE2 3.8Å; L176-F228 HydrophobicContact CG-CD2 4.31Å; L176-F228 VanDerWaalsContact O-CD2 3.27Å; L176-F228 WeakPolarHBondContact O-CD2 3.15Å; L176-F228 PolarHBondContact O-N 2.83Å; L176-Q292 HydrophobicContact CD2-CG 4.06Å; L176-A295 HydrophobicContact CD1-CB 3.48Å; L176-A295 VanDerWaalsContact CD1-CB 3.48Å
177	A	98.8	Very high	94.2	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.008	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.2	-177.3	0	0	0	0	0	111.5	I203 E204 F228	A177-I203 HydrophobicContact CB-CG1 4.37Å; A177-I203 WeakPolarHBondContact O-CA 3.29Å; A177-E204 PolarHBondContact O-N 3.2Å; A177-F228 WeakPolarHBondContact CA-O 3.29Å; A177-F228 HydrophobicContact CB-CB 4.06Å
178	S	98.8	Very high	94.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.8	170.5	57.7	0	0	0	0	112.7	E204 C226 F228 L230	S178-E204 CarbonylContact C-O 3.53Å; S178-E204 VanDerWaalsContact CA-O 3.24Å; S178-E204 WeakPolarHBondContact CA-O 3.38Å; S178-C226 VanDerWaalsContact CB-SG 3.53Å; S178-F228 PolarHBondContact N-O 3.37Å; S178-L230 PolarHBondContact O-N 3.22Å
179	W	98.8	Very high	94.9	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.011	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	123.3	173.4	-171.7	35.9	0	0	0	110.6	V181 Y184 R190 Y194 I203 E204 V205 Y206 W209 L230	W179-V181 HydrophobicContact CD2-CB 4.09Å; W179-V181 HydrophobicContact CD2-CG1 3.83Å; W179-V181 HydrophobicContact CE3-CB 4.47Å; W179-V181 HydrophobicContact CE3-CG1 3.76Å; W179-V181 HydrophobicContact CH2-CB 4.28Å; W179-V181 HydrophobicContact CH2-CG1 3.99Å; W179-V181 HydrophobicContact CH2-CG2 4.13Å; W179-V181 HydrophobicContact CZ2-CB 3.86Å; W179-V181 HydrophobicContact CZ2-CG1 4.04Å; W179-V181 HydrophobicContact CZ2-CG2 3.78Å; W179-V181 HydrophobicContact CZ3-CG1 3.83Å; W179-Y184 AromaticContact CH2-CD2 3.87Å; W179-Y184 HydrophobicContact CH2-CD2 3.87Å; W179-Y184 HydrophobicContact CH2-CE2 4.1Å; W179-Y184 HydrophobicContact CZ3-CD2 4.2Å; W179-Y184 HydrophobicContact CZ3-CE2 4.28Å; W179-R190 HydrophobicContact CZ2-CB 4.44Å; W179-R190 HydrophobicContact CZ2-CG 4.26Å; W179-Y194 HydrophobicContact CD2-CD2 4.33Å; W179-Y194 HydrophobicContact CE3-CD1 4.03Å; W179-Y194 AromaticContact CE3-CD2 3.43Å; W179-Y194 HydrophobicContact CE3-CD2 3.43Å; W179-Y194 VanDerWaalsContact CE3-CD2 3.43Å; W179-Y194 HydrophobicContact CE3-CE1 4.38Å; W179-Y194 AromaticContact CE3-CE2 3.84Å; W179-Y194 HydrophobicContact CE3-CE2 3.84Å; W179-Y194 AromaticContact CE3-CG 3.54Å; W179-Y194 HydrophobicContact CE3-CG 3.54Å; W179-Y194 HydrophobicContact CH2-CD1 4.3Å; W179-Y194 HydrophobicContact CH2-CG 4.1Å; W179-Y194 AromaticContact CZ3-CD1 3.42Å; W179-Y194 HydrophobicContact CZ3-CD1 3.42Å; W179-Y194 VanDerWaalsContact CZ3-CD1 3.42Å; W179-Y194 AromaticContact CZ3-CD2 3.71Å; W179-Y194 HydrophobicContact CZ3-CD2 3.71Å; W179-Y194 AromaticContact CZ3-CE1 3.98Å; W179-Y194 HydrophobicContact CZ3-CE1 3.98Å; W179-Y194 HydrophobicContact CZ3-CE2 4.23Å; W179-Y194 AromaticContact CZ3-CG 3.27Å; W179-Y194 HydrophobicContact CZ3-CG 3.27Å; W179-I203 HydrophobicContact CB-CG2 4.12Å; W179-E204 PolarHBondContact N-O 3.19Å; W179-V205 HydrophobicContact CE3-CG1 4.26Å; W179-V205 HydrophobicContact CE3-CG2 4.39Å; W179-V205 WeakPolarHBondContact O-CA 3.44Å; W179-Y206 PolarHBondContact O-N 3.31Å; W179-W209 HydrophobicContact CZ3-CZ3 4.07Å; W179-L230 HydrophobicContact CB-CB 4.03Å; W179-L230 HydrophobicContact CB-CD1 4.08Å; W179-L230 HydrophobicContact CB-CG 4.27Å; W179-L230 HydrophobicContact CG-CB 4Å; W179-L230 HydrophobicContact CG-CD1 4.32Å
180	V	98.4	Very high	95.1	Very high	28 Å²	28	52.4 Å²	52.4	17%	0.17	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.9	177.1	-177.7	0	0	0	0	108.1	Y206 L214 L219 I223 Y229	V180-Y206 WeakPolarHBondContact CA-O 3.42Å; V180-L214 HydrophobicContact CG2-CD1 3.91Å; V180-L219 HydrophobicContact CB-CD1 4.3Å; V180-L219 HydrophobicContact CG1-CD1 3.97Å; V180-L219 HydrophobicContact CG2-CD1 3.78Å; V180-I223 HydrophobicContact CG2-CD1 4.11Å; V180-I223 HydrophobicContact CG2-CG1 4.12Å; V180-Y229 HydrophobicContact CB-CE2 4.16Å; V180-Y229 HydrophobicContact CG2-CE2 3.9Å
181	V	96.8	Very high	95.3	Very high	5 Å²	5	50 Å²	50	3%	0.03	29%	0.286	C	S	.	.			trans	-142.5	132.2	-172.9	60.7	0	0	0	0	112.3	W179 V205 Y206 G207 W209	W179-V181 HydrophobicContact CD2-CB 4.09Å; W179-V181 HydrophobicContact CD2-CG1 3.83Å; W179-V181 HydrophobicContact CE3-CB 4.47Å; W179-V181 HydrophobicContact CE3-CG1 3.76Å; W179-V181 HydrophobicContact CH2-CB 4.28Å; W179-V181 HydrophobicContact CH2-CG1 3.99Å; W179-V181 HydrophobicContact CH2-CG2 4.13Å; W179-V181 HydrophobicContact CZ2-CB 3.86Å; W179-V181 HydrophobicContact CZ2-CG1 4.04Å; W179-V181 HydrophobicContact CZ2-CG2 3.78Å; W179-V181 HydrophobicContact CZ3-CG1 3.83Å; V181-V205 HydrophobicContact CG1-CG1 4.01Å; V181-Y206 PolarHBondContact N-O 2.99Å; V181-G207 WeakPolarHBondContact O-CA 3.36Å; V181-W209 HydrophobicContact CG1-CE3 3.62Å; V181-W209 HydrophobicContact CG1-CZ3 4.2Å; V181-W209 PolarHBondContact O-N 3.19Å
182	S	92.2	Very high	95.5	Very high	69 Å²	69	46.7 Å²	46.7	48%	0.483	27%	0.273	S	S	.	.	S	Bend	trans	-112.4	-37	176.1	-61.9	0	0	0	0	112.9	Y184 H208	S182-Y184 PolarHBondContact O-N 3.14Å; S182-H208 PolarHBondContact OG-N 3.17Å
183	N	91.2	Very high	95.7	Very high	63 Å²	63	46 Å²	46	34%	0.337	27%	0.273	S	S	.	.	S	Bend	trans	-97.9	67.2	-179.8	-179.5	13.9	0	0	0	111.4	R190	N183-R190 PolarHBondContact O-NH2 2.81Å
184	Y	94.2	Very high	96.2	Very high	39 Å²	39	44.7 Å²	44.7	15%	0.153	26%	0.256	C	S	.	.			trans	-80.2	132.2	176.1	-176.8	-90.5	0	0	0	111.1	W179 S182 P186 S191 Q195 W209	W179-Y184 AromaticContact CH2-CD2 3.87Å; W179-Y184 HydrophobicContact CH2-CD2 3.87Å; W179-Y184 HydrophobicContact CH2-CE2 4.1Å; W179-Y184 HydrophobicContact CZ3-CD2 4.2Å; W179-Y184 HydrophobicContact CZ3-CE2 4.28Å; S182-Y184 PolarHBondContact O-N 3.14Å; Y184-P186 HydrophobicContact CE1-CG 4.11Å; Y184-S191 VanDerWaalsContact CE2-OG 3.3Å; Y184-S191 WeakPolarHBondContact CE2-OG 3.4Å; Y184-Q195 PolarHBondContact OH-NE2 3.43Å; Y184-W209 VanDerWaalsContact CB-CD2 3.43Å; Y184-W209 AromaticContact CD1-CD1 3.95Å; Y184-W209 HydrophobicContact CD1-CD2 4.14Å; Y184-W209 AromaticContact CD1-CE2 3.39Å; Y184-W209 HydrophobicContact CD1-CG 4.43Å; Y184-W209 AromaticContact CD1-CZ2 3.63Å; Y184-W209 HydrophobicContact CD1-CZ2 3.63Å; Y184-W209 AromaticContact CD1-NE1 3.26Å; Y184-W209 VanDerWaalsContact CD1-NE1 3.26Å; Y184-W209 AromaticContact CD2-CD2 3.86Å; Y184-W209 HydrophobicContact CD2-CD2 3.86Å; Y184-W209 AromaticContact CD2-CE2 3.69Å; Y184-W209 AromaticContact CD2-CE3 3.96Å; Y184-W209 HydrophobicContact CD2-CE3 3.96Å; Y184-W209 AromaticContact CD2-CH2 3.72Å; Y184-W209 HydrophobicContact CD2-CH2 3.72Å; Y184-W209 AromaticContact CD2-CZ2 3.65Å; Y184-W209 HydrophobicContact CD2-CZ2 3.65Å; Y184-W209 AromaticContact CD2-CZ3 3.87Å; Y184-W209 HydrophobicContact CD2-CZ3 3.87Å; Y184-W209 AromaticContact CE1-CE2 3.91Å; Y184-W209 HydrophobicContact CE1-CH2 4.42Å; Y184-W209 AromaticContact CE1-CZ2 3.63Å; Y184-W209 HydrophobicContact CE1-CZ2 3.63Å; Y184-W209 AromaticContact CE2-CH2 3.64Å; Y184-W209 HydrophobicContact CE2-CH2 3.64Å; Y184-W209 AromaticContact CE2-CZ2 3.67Å; Y184-W209 HydrophobicContact CE2-CZ2 3.67Å; Y184-W209 HydrophobicContact CE2-CZ3 4.16Å; Y184-W209 AromaticContact CG-CD1 3.84Å; Y184-W209 AromaticContact CG-CD2 3.55Å; Y184-W209 HydrophobicContact CG-CD2 3.55Å; Y184-W209 AromaticContact CG-CE2 3.27Å; Y184-W209 HydrophobicContact CG-CE3 4.14Å; Y184-W209 AromaticContact CG-CG 3.88Å; Y184-W209 HydrophobicContact CG-CG 3.88Å; Y184-W209 HydrophobicContact CG-CH2 4.18Å; Y184-W209 AromaticContact CG-CZ2 3.63Å; Y184-W209 HydrophobicContact CG-CZ2 3.63Å; Y184-W209 HydrophobicContact CG-CZ3 4.39Å; Y184-W209 AromaticContact CG-NE1 3.46Å; Y184-W209 AromaticContact CZ-CZ2 3.67Å
185	R	94.4	Very high	96.5	Very high	132 Å²	132	42.5 Å²	42.5	50%	0.498	23%	0.226	S	C	.	.			trans	-138.4	136.2	164.7	-54.9	-173.4	178.3	177.9	-6.9	109.7	D187 H188 S191	R185-D187 WeakPolarHBondContact CB-OD1 3.48Å; R185-D187 PolarHBondContact O-N 2.97Å; R185-H188 WeakPolarHBondContact CD-NE2 2.98Å; R185-H188 VanDerWaalsContact CG-CE1 3.45Å; R185-H188 WeakPolarHBondContact CG-CE1 3.25Å; R185-H188 PolarHBondContact O-N 3.31Å; R185-S191 WeakPolarHBondContact O-CB 3.14Å; R185-S191 PolarHBondContact O-OG 2.76Å
186	P	94.1	Very high	96.5	Very high	98 Å²	98	43.8 Å²	43.8	64%	0.636	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.8	-174.6	-26.2	34.7	0	0	0	114.6	Y184	Y184-P186 HydrophobicContact CE1-CG 4.11Å
187	D	93.4	Very high	96.5	Very high	108 Å²	108	42.8 Å²	42.8	58%	0.578	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-19.5	-177.8	60.2	-44.9	0	0	0	113.6	R185 Q192	R185-D187 WeakPolarHBondContact CB-OD1 3.48Å; R185-D187 PolarHBondContact O-N 2.97Å; D187-Q192 PolarHBondContact O-NE2 3.48Å; D187-Q192 VanDerWaalsContact O-NE2 3.14Å
188	H	95	Very high	96.5	Very high	25 Å²	25	48.5 Å²	48.5	12%	0.116	25%	0.251	C	S	.	.	S	Bend	trans	-63.6	139.1	176.9	-65.4	161.1	0	0	0	112.3	R185 R190 S191 Q192	R185-H188 WeakPolarHBondContact CD-NE2 2.98Å; R185-H188 VanDerWaalsContact CG-CE1 3.45Å; R185-H188 WeakPolarHBondContact CG-CE1 3.25Å; R185-H188 PolarHBondContact O-N 3.31Å; H188-R190 VanDerWaalsContact C-N 3.28Å; H188-R190 HydrophobicContact CB-CG 3.95Å; H188-R190 PolarHBondContact O-N 3.46Å; H188-S191 WeakPolarHBondContact O-CA 3.33Å; H188-S191 VanDerWaalsContact O-CB 3.31Å; H188-S191 WeakPolarHBondContact O-CB 3.44Å; H188-S191 PolarHBondContact O-N 3.18Å; H188-Q192 PolarHBondContact O-N 3.21Å
189	A	95.8	Very high	96.5	Very high	46 Å²	46	56 Å²	56	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-51.3	-44.4	176.4	0	0	0	0	0	112.9	S191 Q192 V193 L259	A189-S191 VanDerWaalsContact C-N 3.26Å; A189-S191 PolarHBondContact O-N 2.89Å; A189-Q192 PolarHBondContact O-N 2.84Å; A189-V193 WeakPolarHBondContact O-CG2 3.45Å; A189-V193 PolarHBondContact O-N 3.11Å; A189-L259 HydrophobicContact CB-CD2 4.38Å
190	R	96.9	Very high	96.5	Very high	13 Å²	13	60.5 Å²	60.5	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-58	-35.4	175.9	64.5	174.8	-179.8	-170.8	-5.1	114.3	W179 N183 H188 Y194 F232 E233 L259	W179-R190 HydrophobicContact CZ2-CB 4.44Å; W179-R190 HydrophobicContact CZ2-CG 4.26Å; N183-R190 PolarHBondContact O-NH2 2.81Å; H188-R190 VanDerWaalsContact C-N 3.28Å; H188-R190 HydrophobicContact CB-CG 3.95Å; H188-R190 PolarHBondContact O-N 3.46Å; R190-Y194 WeakPolarHBondContact O-CB 3.42Å; R190-Y194 PolarHBondContact O-N 3.23Å; R190-F232 HydrophobicContact CB-CB 3.66Å; R190-F232 HydrophobicContact CB-CD2 4.07Å; R190-F232 HydrophobicContact CB-CG 4.28Å; R190-E233 WeakPolarHBondContact CD-O 3.32Å; R190-L259 VanDerWaalsContact CA-CD2 3.47Å; R190-L259 HydrophobicContact CB-CD2 3.99Å
191	S	97.6	Very high	96.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-72.1	-40.5	-179.6	-59.8	0	0	0	0	110.2	Y184 R185 H188 A189 Y194 Q195	Y184-S191 VanDerWaalsContact CE2-OG 3.3Å; Y184-S191 WeakPolarHBondContact CE2-OG 3.4Å; R185-S191 WeakPolarHBondContact O-CB 3.14Å; R185-S191 PolarHBondContact O-OG 2.76Å; H188-S191 WeakPolarHBondContact O-CA 3.33Å; H188-S191 VanDerWaalsContact O-CB 3.31Å; H188-S191 WeakPolarHBondContact O-CB 3.44Å; H188-S191 PolarHBondContact O-N 3.18Å; A189-S191 VanDerWaalsContact C-N 3.26Å; A189-S191 PolarHBondContact O-N 2.89Å; S191-Y194 PolarHBondContact O-N 2.91Å; S191-Q195 WeakPolarHBondContact O-CB 3.15Å; S191-Q195 WeakPolarHBondContact O-CG 3.29Å; S191-Q195 PolarHBondContact O-N 3.43Å
192	Q	97.8	Very high	96.5	Very high	120 Å²	120	63.6 Å²	63.6	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-64.5	-46.7	176.9	-59.9	178.3	24.8	0	0	111.2	D187 H188 A189 Y194 Q195 S196	D187-Q192 PolarHBondContact O-NE2 3.48Å; D187-Q192 VanDerWaalsContact O-NE2 3.14Å; H188-Q192 PolarHBondContact O-N 3.21Å; A189-Q192 PolarHBondContact O-N 2.84Å; Q192-Y194 PolarHBondContact O-N 2.95Å; Q192-Q195 PolarHBondContact O-N 3.08Å; Q192-S196 PolarHBondContact O-N 2.99Å
193	V	98.4	Very high	96.8	Very high	30 Å²	30	61.4 Å²	61.4	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-47.4	175.8	174.8	0	0	0	0	110.9	A189 Q195 S196 L197 F232 L259 V278 T284	A189-V193 WeakPolarHBondContact O-CG2 3.45Å; A189-V193 PolarHBondContact O-N 3.11Å; V193-Q195 PolarHBondContact O-N 2.84Å; V193-S196 PolarHBondContact O-N 3.08Å; V193-L197 VanDerWaalsContact O-CB 3.24Å; V193-L197 WeakPolarHBondContact O-CB 3.34Å; V193-L197 PolarHBondContact O-N 2.62Å; V193-F232 HydrophobicContact CB-CE2 4.25Å; V193-F232 HydrophobicContact CG1-CE2 3.78Å; V193-F232 HydrophobicContact CG1-CZ 3.78Å; V193-L259 HydrophobicContact CB-CD2 4.31Å; V193-L259 HydrophobicContact CG2-CD2 3.93Å; V193-V278 HydrophobicContact CG1-CG1 4.27Å; V193-T284 HydrophobicContact CG1-CG2 4.31Å
194	Y	98.4	Very high	97.2	Very high	13 Å²	13	62 Å²	62	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-48.1	175.7	164.9	-100.9	0	0	0	112.5	W179 R190 S191 Q192 S196 L197 R198 I203 V205 W209 L230	W179-Y194 HydrophobicContact CD2-CD2 4.33Å; W179-Y194 HydrophobicContact CE3-CD1 4.03Å; W179-Y194 AromaticContact CE3-CD2 3.43Å; W179-Y194 HydrophobicContact CE3-CD2 3.43Å; W179-Y194 VanDerWaalsContact CE3-CD2 3.43Å; W179-Y194 HydrophobicContact CE3-CE1 4.38Å; W179-Y194 AromaticContact CE3-CE2 3.84Å; W179-Y194 HydrophobicContact CE3-CE2 3.84Å; W179-Y194 AromaticContact CE3-CG 3.54Å; W179-Y194 HydrophobicContact CE3-CG 3.54Å; W179-Y194 HydrophobicContact CH2-CD1 4.3Å; W179-Y194 HydrophobicContact CH2-CG 4.1Å; W179-Y194 AromaticContact CZ3-CD1 3.42Å; W179-Y194 HydrophobicContact CZ3-CD1 3.42Å; W179-Y194 VanDerWaalsContact CZ3-CD1 3.42Å; W179-Y194 AromaticContact CZ3-CD2 3.71Å; W179-Y194 HydrophobicContact CZ3-CD2 3.71Å; W179-Y194 AromaticContact CZ3-CE1 3.98Å; W179-Y194 HydrophobicContact CZ3-CE1 3.98Å; W179-Y194 HydrophobicContact CZ3-CE2 4.23Å; W179-Y194 AromaticContact CZ3-CG 3.27Å; W179-Y194 HydrophobicContact CZ3-CG 3.27Å; R190-Y194 WeakPolarHBondContact O-CB 3.42Å; R190-Y194 PolarHBondContact O-N 3.23Å; S191-Y194 PolarHBondContact O-N 2.91Å; Q192-Y194 PolarHBondContact O-N 2.95Å; Y194-S196 VanDerWaalsContact C-N 3.26Å; Y194-S196 PolarHBondContact O-N 3.07Å; Y194-L197 PolarHBondContact O-N 2.81Å; Y194-R198 HydrophobicContact CE2-CB 4.24Å; Y194-R198 WeakPolarHBondContact O-CB 3.34Å; Y194-R198 WeakPolarHBondContact O-CG 3.3Å; Y194-R198 PolarHBondContact O-N 2.94Å; Y194-I203 HydrophobicContact CD2-CD1 3.96Å; Y194-I203 HydrophobicContact CD2-CG2 4.28Å; Y194-I203 HydrophobicContact CE2-CB 4.13Å; Y194-I203 HydrophobicContact CE2-CD1 4.07Å; Y194-I203 HydrophobicContact CE2-CG2 3.91Å; Y194-V205 HydrophobicContact CE2-CG2 3.54Å; Y194-V205 VanDerWaalsContact OH-CG2 3.29Å; Y194-V205 WeakPolarHBondContact OH-CG2 3.38Å; Y194-W209 HydrophobicContact CE1-CH2 4.08Å; Y194-W209 HydrophobicContact CE1-CZ3 4.35Å; Y194-L230 HydrophobicContact CD2-CD1 4.43Å
195	Q	98.3	Very high	97.4	Very high	67 Å²	67	60.8 Å²	60.8	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-30.5	-178.1	-71.7	-69.5	4.3	0	0	112.9	Y184 S191 Q192 V193 R198 K199	Y184-Q195 PolarHBondContact OH-NE2 3.43Å; S191-Q195 WeakPolarHBondContact O-CB 3.15Å; S191-Q195 WeakPolarHBondContact O-CG 3.29Å; S191-Q195 PolarHBondContact O-N 3.43Å; Q192-Q195 PolarHBondContact O-N 3.08Å; V193-Q195 PolarHBondContact O-N 2.84Å; Q195-R198 WeakPolarHBondContact O-CG 3.19Å; Q195-R198 VanDerWaalsContact OE1-CD 3.31Å; Q195-R198 VanDerWaalsContact OE1-NH1 3.09Å; Q195-K199 WeakPolarHBondContact O-CE 3.34Å
196	S	98.4	Very high	97.6	Very high	38 Å²	38	55.7 Å²	55.7	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-78	-47.6	173.4	-166.8	0	0	0	0	111.7	Q192 V193 Y194 R198 K199 Y200 T284	Q192-S196 PolarHBondContact O-N 2.99Å; V193-S196 PolarHBondContact O-N 3.08Å; Y194-S196 VanDerWaalsContact C-N 3.26Å; Y194-S196 PolarHBondContact O-N 3.07Å; S196-R198 PolarHBondContact O-N 2.83Å; S196-K199 WeakPolarHBondContact O-CB 3.49Å; S196-K199 WeakPolarHBondContact O-CG 3.31Å; S196-K199 PolarHBondContact O-N 3.28Å; S196-Y200 WeakPolarHBondContact O-CD2 3.28Å; S196-Y200 WeakPolarHBondContact O-CE2 3.34Å; S196-T284 WeakPolarHBondContact CB-OG1 3.4Å; S196-T284 PolarHBondContact OG-OG1 2.9Å
197	L	98.8	Very high	97.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-39.1	-176.1	-174.3	62.8	0	0	0	113.2	V193 Y194 K199 Y200 I201 I203 L230 T284 L287 A288	V193-L197 VanDerWaalsContact O-CB 3.24Å; V193-L197 WeakPolarHBondContact O-CB 3.34Å; V193-L197 PolarHBondContact O-N 2.62Å; Y194-L197 PolarHBondContact O-N 2.81Å; L197-K199 PolarHBondContact O-N 3.17Å; L197-Y200 PolarHBondContact O-N 3.26Å; L197-I201 HydrophobicContact CD1-CD1 3.89Å; L197-I201 HydrophobicContact CD1-CG1 4.02Å; L197-I201 HydrophobicContact CD2-CD1 4.13Å; L197-I201 HydrophobicContact CG-CD1 3.86Å; L197-I201 HydrophobicContact CG-CG1 3.93Å; L197-I201 PolarHBondContact O-N 2.95Å; L197-I203 HydrophobicContact CB-CD1 4.24Å; L197-I203 HydrophobicContact CD2-CD1 4.08Å; L197-I203 HydrophobicContact CG-CD1 3.99Å; L197-L230 HydrophobicContact CD2-CD1 4.36Å; L197-L230 HydrophobicContact CD2-CD2 4.22Å; L197-T284 HydrophobicContact CB-CG2 4.45Å; L197-T284 VanDerWaalsContact CD1-O 3.24Å; L197-T284 WeakPolarHBondContact CD1-O 3.38Å; L197-L287 HydrophobicContact CD1-CB 4.4Å; L197-L287 HydrophobicContact CD1-CD2 4.09Å; L197-L287 HydrophobicContact CD1-CG 4.1Å; L197-L287 HydrophobicContact CD2-CD2 4.09Å; L197-A288 HydrophobicContact CD1-CB 3.88Å
198	R	98.4	Very high	97.8	Very high	122 Å²	122	52.5 Å²	52.5	46%	0.46	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.6	179.7	70.5	179.6	-73.8	-166.1	0.2	114.7	Y194 Q195 S196 Y200 I203	Y194-R198 HydrophobicContact CE2-CB 4.24Å; Y194-R198 WeakPolarHBondContact O-CB 3.34Å; Y194-R198 WeakPolarHBondContact O-CG 3.3Å; Y194-R198 PolarHBondContact O-N 2.94Å; Q195-R198 WeakPolarHBondContact O-CG 3.19Å; Q195-R198 VanDerWaalsContact OE1-CD 3.31Å; Q195-R198 VanDerWaalsContact OE1-NH1 3.09Å; S196-R198 PolarHBondContact O-N 2.83Å; R198-Y200 VanDerWaalsContact C-N 3.3Å; R198-I203 HydrophobicContact CB-CD1 3.97Å
199	K	98.6	Very high	97.8	Very high	158 Å²	158	55.7 Å²	55.7	69%	0.687	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-23.9	175.9	-60.7	176.1	-176.9	176	0	112	Q195 S196 L197	Q195-K199 WeakPolarHBondContact O-CE 3.34Å; S196-K199 WeakPolarHBondContact O-CB 3.49Å; S196-K199 WeakPolarHBondContact O-CG 3.31Å; S196-K199 PolarHBondContact O-N 3.28Å; L197-K199 PolarHBondContact O-N 3.17Å
200	Y	98.7	Very high	97.8	Very high	97 Å²	97	55.1 Å²	55.1	38%	0.38	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-27.6	-172	-56.6	-78.7	0	0	0	112.8	S196 L197 R198 E285 A288	S196-Y200 WeakPolarHBondContact O-CD2 3.28Å; S196-Y200 WeakPolarHBondContact O-CE2 3.34Å; L197-Y200 PolarHBondContact O-N 3.26Å; R198-Y200 VanDerWaalsContact C-N 3.3Å; Y200-E285 HydrophobicContact CD1-CB 4.05Å; Y200-E285 HydrophobicContact CD1-CG 3.79Å; Y200-E285 HydrophobicContact CD2-CB 4.31Å; Y200-E285 HydrophobicContact CE1-CB 3.7Å; Y200-E285 HydrophobicContact CE1-CG 3.58Å; Y200-E285 HydrophobicContact CE2-CB 4Å; Y200-E285 HydrophobicContact CG-CB 4.33Å; Y200-E285 HydrophobicContact CG-CG 4.43Å; Y200-A288 HydrophobicContact CG-CB 4.23Å
201	I	98.6	Very high	97.8	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.026	30%	0.298	C	S	.	.	S	Bend	trans	-137.7	149.6	-179.9	52.5	167.1	0	0	0	112.7	L176 L197 I203 A288 L291 Q292	L176-I201 HydrophobicContact CD2-CB 3.8Å; L176-I201 HydrophobicContact CD2-CD1 4.33Å; L176-I201 HydrophobicContact CD2-CG2 3.65Å; L197-I201 HydrophobicContact CD1-CD1 3.89Å; L197-I201 HydrophobicContact CD1-CG1 4.02Å; L197-I201 HydrophobicContact CD2-CD1 4.13Å; L197-I201 HydrophobicContact CG-CD1 3.86Å; L197-I201 HydrophobicContact CG-CG1 3.93Å; L197-I201 PolarHBondContact O-N 2.95Å; I201-I203 HydrophobicContact CD1-CG1 4.4Å; I201-I203 HydrophobicContact CG1-CD1 4.45Å; I201-I203 HydrophobicContact CG1-CG1 4.26Å; I201-I203 PolarHBondContact O-N 3.26Å; I201-A288 HydrophobicContact CG1-CB 4.26Å; I201-A288 HydrophobicContact CG2-CB 3.79Å; I201-L291 HydrophobicContact CD1-CD1 3.75Å; I201-Q292 HydrophobicContact CG2-CG 3.66Å
202	P	98.2	Very high	97.8	Very high	93 Å²	93	69.3 Å²	69.3	60%	0.604	32%	0.32	S	S	*	.			trans	-67.4	132.7	170.6	29.1	-34.1	0	0	0	110.5	L176	L176-P202 HydrophobicContact CB-CG 4.32Å
203	I	98.7	Very high	97.7	Very high	23 Å²	23	67.3 Å²	67.3	12%	0.118	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.3	175.7	-58.3	164.6	0	0	0	108.2	A177 W179 Y194 L197 R198 I201 V205 L230	A177-I203 HydrophobicContact CB-CG1 4.37Å; A177-I203 WeakPolarHBondContact O-CA 3.29Å; W179-I203 HydrophobicContact CB-CG2 4.12Å; Y194-I203 HydrophobicContact CD2-CD1 3.96Å; Y194-I203 HydrophobicContact CD2-CG2 4.28Å; Y194-I203 HydrophobicContact CE2-CB 4.13Å; Y194-I203 HydrophobicContact CE2-CD1 4.07Å; Y194-I203 HydrophobicContact CE2-CG2 3.91Å; L197-I203 HydrophobicContact CB-CD1 4.24Å; L197-I203 HydrophobicContact CD2-CD1 4.08Å; L197-I203 HydrophobicContact CG-CD1 3.99Å; R198-I203 HydrophobicContact CB-CD1 3.97Å; I201-I203 HydrophobicContact CD1-CG1 4.4Å; I201-I203 HydrophobicContact CG1-CD1 4.45Å; I201-I203 HydrophobicContact CG1-CG1 4.26Å; I201-I203 PolarHBondContact O-N 3.26Å; I203-V205 HydrophobicContact CG2-CG2 4.23Å; I203-V205 PolarHBondContact O-N 2.84Å; I203-L230 HydrophobicContact CD1-CD1 4.01Å; I203-L230 HydrophobicContact CG2-CD1 3.91Å
204	E	98.5	Very high	97.7	Very high	75 Å²	75	68 Å²	68	35%	0.35	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121	174.2	-63.7	-169.6	-171.6	0	0	110.7	A177 S178 W179 Y206	A177-E204 PolarHBondContact O-N 3.2Å; S178-E204 CarbonylContact C-O 3.53Å; S178-E204 VanDerWaalsContact CA-O 3.24Å; S178-E204 WeakPolarHBondContact CA-O 3.38Å; W179-E204 PolarHBondContact N-O 3.19Å; E204-Y206 HydrophobicContact CB-CD2 4.45Å; E204-Y206 HydrophobicContact CB-CE2 3.64Å; E204-Y206 PolarHBondContact OE2-OH 3.2Å
205	V	98.5	Very high	97.6	Very high	14 Å²	14	71 Å²	71	9%	0.085	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.5	-177.8	-171.4	0	0	0	0	112.2	W179 V181 Y194 I203 W209 S210 R212	W179-V205 HydrophobicContact CE3-CG1 4.26Å; W179-V205 HydrophobicContact CE3-CG2 4.39Å; W179-V205 WeakPolarHBondContact O-CA 3.44Å; V181-V205 HydrophobicContact CG1-CG1 4.01Å; Y194-V205 HydrophobicContact CE2-CG2 3.54Å; Y194-V205 VanDerWaalsContact OH-CG2 3.29Å; Y194-V205 WeakPolarHBondContact OH-CG2 3.38Å; I203-V205 HydrophobicContact CG2-CG2 4.23Å; I203-V205 PolarHBondContact O-N 2.84Å; V205-W209 HydrophobicContact CG1-CE3 4.03Å; V205-W209 HydrophobicContact CG1-CZ3 3.86Å; V205-S210 PolarHBondContact O-OG 3.47Å; V205-R212 PolarHBondContact O-NH1 3.49Å
206	Y	98.4	Very high	97.3	Very high	25 Å²	25	73.7 Å²	73.7	10%	0.098	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	170.1	179.2	-60.5	-87	0	0	0	110.7	W179 V180 V181 E204 S210 R212 L214 T222	W179-Y206 PolarHBondContact O-N 3.31Å; V180-Y206 WeakPolarHBondContact CA-O 3.42Å; V181-Y206 PolarHBondContact N-O 2.99Å; E204-Y206 HydrophobicContact CB-CD2 4.45Å; E204-Y206 HydrophobicContact CB-CE2 3.64Å; E204-Y206 PolarHBondContact OE2-OH 3.2Å; Y206-S210 VanDerWaalsContact CA-OG 3.3Å; Y206-S210 WeakPolarHBondContact CA-OG 3.47Å; Y206-R212 HydrophobicContact CD1-CB 4.21Å; Y206-R212 VanDerWaalsContact CE1-CZ 3.49Å; Y206-R212 PolarHBondContact OH-NH2 3.01Å; Y206-L214 HydrophobicContact CD1-CD1 4.09Å; Y206-L214 HydrophobicContact CD1-CD2 3.81Å; Y206-L214 HydrophobicContact CD1-CG 4.03Å; Y206-L214 HydrophobicContact CD2-CD1 4.39Å; Y206-L214 HydrophobicContact CE1-CD2 4.28Å; Y206-L214 HydrophobicContact CG-CD1 3.84Å; Y206-L214 HydrophobicContact CG-CD2 4.4Å; Y206-L214 HydrophobicContact CG-CG 4.18Å; Y206-T222 HydrophobicContact CD1-CG2 4.46Å; Y206-T222 HydrophobicContact CD2-CG2 4.19Å; Y206-T222 HydrophobicContact CE1-CG2 4Å; Y206-T222 HydrophobicContact CE2-CG2 3.73Å
207	G	96.9	Very high	97.3	Very high	3 Å²	3	79.2 Å²	79.2	3%	0.031	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	109.3	178.4	179.2	0	0	0	0	0	113.3	V181 W209 S210 K211 R212	V181-G207 WeakPolarHBondContact O-CA 3.36Å; G207-W209 VanDerWaalsContact C-N 3.28Å; G207-W209 PolarHBondContact O-N 3.13Å; G207-S210 PolarHBondContact O-N 2.91Å; G207-S210 PolarHBondContact O-OG 3.4Å; G207-K211 PolarHBondContact O-N 3.25Å; G207-R212 PolarHBondContact N-O 2.83Å; G207-R212 CarbonylContact O-C 3.56Å; G207-R212 PolarHBondContact O-N 2.82Å
208	H	95.1	Very high	97.2	Very high	136 Å²	136	81 Å²	81	63%	0.63	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.5	-175.7	-77.7	-76	0	0	0	112.6	S182 S210 K211	S182-H208 PolarHBondContact OG-N 3.17Å; H208-S210 PolarHBondContact O-N 3.02Å; H208-K211 PolarHBondContact O-N 3.02Å
209	W	94.5	Very high	97.2	Very high	91 Å²	91	76 Å²	76	35%	0.345	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-43.4	-179.8	170.2	63.5	0	0	0	112.4	W179 V181 Y184 Y194 V205 G207 K211	W179-W209 HydrophobicContact CZ3-CZ3 4.07Å; V181-W209 HydrophobicContact CG1-CE3 3.62Å; V181-W209 HydrophobicContact CG1-CZ3 4.2Å; V181-W209 PolarHBondContact O-N 3.19Å; Y184-W209 VanDerWaalsContact CB-CD2 3.43Å; Y184-W209 AromaticContact CD1-CD1 3.95Å; Y184-W209 HydrophobicContact CD1-CD2 4.14Å; Y184-W209 AromaticContact CD1-CE2 3.39Å; Y184-W209 HydrophobicContact CD1-CG 4.43Å; Y184-W209 AromaticContact CD1-CZ2 3.63Å; Y184-W209 HydrophobicContact CD1-CZ2 3.63Å; Y184-W209 AromaticContact CD1-NE1 3.26Å; Y184-W209 VanDerWaalsContact CD1-NE1 3.26Å; Y184-W209 AromaticContact CD2-CD2 3.86Å; Y184-W209 HydrophobicContact CD2-CD2 3.86Å; Y184-W209 AromaticContact CD2-CE2 3.69Å; Y184-W209 AromaticContact CD2-CE3 3.96Å; Y184-W209 HydrophobicContact CD2-CE3 3.96Å; Y184-W209 AromaticContact CD2-CH2 3.72Å; Y184-W209 HydrophobicContact CD2-CH2 3.72Å; Y184-W209 AromaticContact CD2-CZ2 3.65Å; Y184-W209 HydrophobicContact CD2-CZ2 3.65Å; Y184-W209 AromaticContact CD2-CZ3 3.87Å; Y184-W209 HydrophobicContact CD2-CZ3 3.87Å; Y184-W209 AromaticContact CE1-CE2 3.91Å; Y184-W209 HydrophobicContact CE1-CH2 4.42Å; Y184-W209 AromaticContact CE1-CZ2 3.63Å; Y184-W209 HydrophobicContact CE1-CZ2 3.63Å; Y184-W209 AromaticContact CE2-CH2 3.64Å; Y184-W209 HydrophobicContact CE2-CH2 3.64Å; Y184-W209 AromaticContact CE2-CZ2 3.67Å; Y184-W209 HydrophobicContact CE2-CZ2 3.67Å; Y184-W209 HydrophobicContact CE2-CZ3 4.16Å; Y184-W209 AromaticContact CG-CD1 3.84Å; Y184-W209 AromaticContact CG-CD2 3.55Å; Y184-W209 HydrophobicContact CG-CD2 3.55Å; Y184-W209 AromaticContact CG-CE2 3.27Å; Y184-W209 HydrophobicContact CG-CE3 4.14Å; Y184-W209 AromaticContact CG-CG 3.88Å; Y184-W209 HydrophobicContact CG-CG 3.88Å; Y184-W209 HydrophobicContact CG-CH2 4.18Å; Y184-W209 AromaticContact CG-CZ2 3.63Å; Y184-W209 HydrophobicContact CG-CZ2 3.63Å; Y184-W209 HydrophobicContact CG-CZ3 4.39Å; Y184-W209 AromaticContact CG-NE1 3.46Å; Y184-W209 AromaticContact CZ-CZ2 3.67Å; Y194-W209 HydrophobicContact CE1-CH2 4.08Å; Y194-W209 HydrophobicContact CE1-CZ3 4.35Å; V205-W209 HydrophobicContact CG1-CE3 4.03Å; V205-W209 HydrophobicContact CG1-CZ3 3.86Å; G207-W209 VanDerWaalsContact C-N 3.28Å; G207-W209 PolarHBondContact O-N 3.13Å; W209-K211 PolarHBondContact O-N 3.04Å
210	S	95.6	Very high	97.1	Very high	35 Å²	35	70.2 Å²	70.2	25%	0.245	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	8.6	178.8	64.8	0	0	0	0	113.6	V205 Y206 G207 H208 R212	V205-S210 PolarHBondContact O-OG 3.47Å; Y206-S210 VanDerWaalsContact CA-OG 3.3Å; Y206-S210 WeakPolarHBondContact CA-OG 3.47Å; G207-S210 PolarHBondContact O-N 2.91Å; G207-S210 PolarHBondContact O-OG 3.4Å; H208-S210 PolarHBondContact O-N 3.02Å; S210-R212 PolarHBondContact O-N 2.58Å
211	K	96.8	Very high	97.1	Very high	190 Å²	190	69 Å²	69	83%	0.826	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	29	-175	-55.7	-179.1	-179.9	-179.7	0	113.3	G207 H208 W209 P213	G207-K211 PolarHBondContact O-N 3.25Å; H208-K211 PolarHBondContact O-N 3.02Å; W209-K211 PolarHBondContact O-N 3.04Å; K211-P213 VanDerWaalsContact C-CD 3.48Å
212	R	97.6	Very high	97	Very high	121 Å²	121	70.1 Å²	70.1	46%	0.457	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-129.4	61.6	177.9	-66.7	176.5	70.3	-161.1	5.7	109.7	V205 Y206 G207 S210	V205-R212 PolarHBondContact O-NH1 3.49Å; Y206-R212 HydrophobicContact CD1-CB 4.21Å; Y206-R212 VanDerWaalsContact CE1-CZ 3.49Å; Y206-R212 PolarHBondContact OH-NH2 3.01Å; G207-R212 PolarHBondContact N-O 2.83Å; G207-R212 CarbonylContact O-C 3.56Å; G207-R212 PolarHBondContact O-N 2.82Å; S210-R212 PolarHBondContact O-N 2.58Å
213	P	97	Very high	97	Very high	78 Å²	78	65.7 Å²	65.7	51%	0.506	33%	0.331	S	S	.	.			trans	-62.2	144.9	-179	29.2	-35.2	0	0	0	110.6	K211	K211-P213 VanDerWaalsContact C-CD 3.48Å
214	L	97	Very high	97	Very high	43 Å²	43	64.9 Å²	64.9	23%	0.225	33%	0.328	C	S	.	.			trans	-106.5	142.5	171.8	-64.3	174.2	0	0	0	108.4	V180 Y206 L219 T222	V180-L214 HydrophobicContact CG2-CD1 3.91Å; Y206-L214 HydrophobicContact CD1-CD1 4.09Å; Y206-L214 HydrophobicContact CD1-CD2 3.81Å; Y206-L214 HydrophobicContact CD1-CG 4.03Å; Y206-L214 HydrophobicContact CD2-CD1 4.39Å; Y206-L214 HydrophobicContact CE1-CD2 4.28Å; Y206-L214 HydrophobicContact CG-CD1 3.84Å; Y206-L214 HydrophobicContact CG-CD2 4.4Å; Y206-L214 HydrophobicContact CG-CG 4.18Å; L214-L219 HydrophobicContact CB-CB 4.33Å; L214-L219 HydrophobicContact CB-CD1 4.34Å; L214-L219 HydrophobicContact CD1-CD1 3.83Å; L214-T222 HydrophobicContact CD1-CG2 3.86Å; L214-T222 HydrophobicContact CD2-CG2 4.22Å
215	T	96.8	Very high	96.9	Very high	78 Å²	78	66.5 Å²	66.5	48%	0.479	34%	0.335	S	S	.	.			trans	-79.8	166.2	172.5	67	0	0	0	0	109.6	Q217 S218 L219	T215-Q217 PolarHBondContact O-N 2.67Å; T215-Q217 PolarHBondContact OG1-OE1 3.33Å; T215-S218 PolarHBondContact N-OG 3.1Å; T215-S218 PolarHBondContact O-N 3.28Å; T215-S218 VanDerWaalsContact O-N 3.15Å; T215-S218 PolarHBondContact O-OG 3.46Å; T215-S218 PolarHBondContact OG1-N 2.74Å; T215-S218 PolarHBondContact OG1-OG 3.01Å; T215-L219 WeakPolarHBondContact O-CB 3.3Å; T215-L219 PolarHBondContact O-N 3.02Å
216	D	93.1	Very high	96.9	Very high	122 Å²	122	65.8 Å²	65.8	65%	0.652	33%	0.331	S	S	*	.	H	α-helix	trans	-58	-34	175.6	-75.9	-30.8	0	0	0	112.2	R247	D216-R247 IonicContact OD1-NH2 2.81Å
217	Q	96.6	Very high	97	Very high	154 Å²	154	65.6 Å²	65.6	72%	0.72	33%	0.332	S	S	*	.	H	α-helix	trans	-72.5	-35.7	177.4	-61.1	83.5	3.8	0	0	113.1	T215 P221	T215-Q217 PolarHBondContact O-N 2.67Å; T215-Q217 PolarHBondContact OG1-OE1 3.33Å; Q217-P221 WeakPolarHBondContact O-CD 3.46Å; Q217-P221 WeakPolarHBondContact O-CG 3.48Å
218	S	97.5	Very high	97.1	Very high	37 Å²	37	65.5 Å²	65.5	26%	0.259	33%	0.331	S	S	.	.	H	α-helix	trans	-89.7	-21.4	-176.8	67.1	0	0	0	0	113.9	T215 I220 P221 T222	T215-S218 PolarHBondContact N-OG 3.1Å; T215-S218 PolarHBondContact O-N 3.28Å; T215-S218 VanDerWaalsContact O-N 3.15Å; T215-S218 PolarHBondContact O-OG 3.46Å; T215-S218 PolarHBondContact OG1-N 2.74Å; T215-S218 PolarHBondContact OG1-OG 3.01Å; S218-I220 PolarHBondContact O-N 3.09Å; S218-P221 WeakPolarHBondContact O-CD 3.3Å; S218-T222 VanDerWaalsContact O-CB 3.3Å; S218-T222 WeakPolarHBondContact O-CB 3.46Å; S218-T222 PolarHBondContact O-N 2.73Å; S218-T222 PolarHBondContact O-OG1 3.29Å
219	L	97.9	Very high	97.2	Very high	19 Å²	19	59.1 Å²	59.1	10%	0.099	30%	0.301	C	S	.	.	H	α-helix	trans	-56.2	-53.2	-173.2	179.3	54.4	0	0	0	113.6	V180 L214 T215 I223	V180-L219 HydrophobicContact CB-CD1 4.3Å; V180-L219 HydrophobicContact CG1-CD1 3.97Å; V180-L219 HydrophobicContact CG2-CD1 3.78Å; L214-L219 HydrophobicContact CB-CB 4.33Å; L214-L219 HydrophobicContact CB-CD1 4.34Å; L214-L219 HydrophobicContact CD1-CD1 3.83Å; T215-L219 WeakPolarHBondContact O-CB 3.3Å; T215-L219 PolarHBondContact O-N 3.02Å; L219-I223 HydrophobicContact CD1-CD1 3.63Å; L219-I223 HydrophobicContact CD1-CG1 4.34Å; L219-I223 HydrophobicContact CG-CD1 4.21Å; L219-I223 VanDerWaalsContact O-CG1 3.32Å; L219-I223 WeakPolarHBondContact O-CG1 3.21Å; L219-I223 PolarHBondContact O-N 2.68Å; L219-I223 VanDerWaalsContact O-N 3.16Å
220	I	97.9	Very high	97.4	Very high	36 Å²	36	54.8 Å²	54.8	19%	0.185	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-48.3	-178	-63.7	-55.9	0	0	0	111.9	S218 T222 I223 G224 R247 Q251 A252	S218-I220 PolarHBondContact O-N 3.09Å; I220-T222 PolarHBondContact O-N 3.4Å; I220-I223 PolarHBondContact O-N 2.86Å; I220-G224 PolarHBondContact O-N 3.36Å; I220-R247 HydrophobicContact CD1-CG 4.21Å; I220-R247 VanDerWaalsContact CD1-O 3.3Å; I220-R247 WeakPolarHBondContact CD1-O 3.36Å; I220-Q251 HydrophobicContact CD1-CB 4.2Å; I220-A252 HydrophobicContact CD1-CB 4.43Å; I220-A252 HydrophobicContact CG2-CB 4.04Å; I220-A252 WeakPolarHBondContact O-CB 3.49Å
221	P	97.3	Very high	97.6	Very high	70 Å²	70	53.1 Å²	53.1	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-56.6	-45.5	174.6	-27.6	35.1	0	0	0	113.6	Q217 S218 I223 G224 H225	Q217-P221 WeakPolarHBondContact O-CD 3.46Å; Q217-P221 WeakPolarHBondContact O-CG 3.48Å; S218-P221 WeakPolarHBondContact O-CD 3.3Å; P221-I223 PolarHBondContact O-N 2.89Å; P221-G224 PolarHBondContact O-N 3.1Å; P221-G224 VanDerWaalsContact O-N 3.14Å; P221-H225 PolarHBondContact O-CD2 3.36Å; P221-H225 PolarHBondContact O-N 3.19Å
222	T	97.8	Very high	97.7	Very high	29 Å²	29	44 Å²	44	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-46.5	-180	-64.8	0	0	0	0	111.8	Y206 L214 S218 I220 G224 H225	Y206-T222 HydrophobicContact CD1-CG2 4.46Å; Y206-T222 HydrophobicContact CD2-CG2 4.19Å; Y206-T222 HydrophobicContact CE1-CG2 4Å; Y206-T222 HydrophobicContact CE2-CG2 3.73Å; L214-T222 HydrophobicContact CD1-CG2 3.86Å; L214-T222 HydrophobicContact CD2-CG2 4.22Å; S218-T222 VanDerWaalsContact O-CB 3.3Å; S218-T222 WeakPolarHBondContact O-CB 3.46Å; S218-T222 PolarHBondContact O-N 2.73Å; S218-T222 PolarHBondContact O-OG1 3.29Å; I220-T222 PolarHBondContact O-N 3.4Å; T222-G224 VanDerWaalsContact C-N 3.3Å; T222-G224 PolarHBondContact O-N 2.6Å; T222-H225 PolarHBondContact O-N 3.37Å
223	I	98.4	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-39.3	176.4	-64.3	166.7	0	0	0	110.7	V180 L219 I220 P221 H225 C226 Y229 N248 A252 A254	V180-I223 HydrophobicContact CG2-CD1 4.11Å; V180-I223 HydrophobicContact CG2-CG1 4.12Å; L219-I223 HydrophobicContact CD1-CD1 3.63Å; L219-I223 HydrophobicContact CD1-CG1 4.34Å; L219-I223 HydrophobicContact CG-CD1 4.21Å; L219-I223 VanDerWaalsContact O-CG1 3.32Å; L219-I223 WeakPolarHBondContact O-CG1 3.21Å; L219-I223 PolarHBondContact O-N 2.68Å; L219-I223 VanDerWaalsContact O-N 3.16Å; I220-I223 PolarHBondContact O-N 2.86Å; P221-I223 PolarHBondContact O-N 2.89Å; I223-H225 PolarHBondContact O-N 3.14Å; I223-C226 WeakPolarHBondContact O-CB 3.21Å; I223-C226 PolarHBondContact O-N 3.41Å; I223-Y229 HydrophobicContact CB-CD2 4.34Å; I223-Y229 HydrophobicContact CD1-CD2 3.84Å; I223-Y229 HydrophobicContact CD1-CE2 3.54Å; I223-Y229 HydrophobicContact CG1-CD2 3.81Å; I223-Y229 HydrophobicContact CG1-CE2 3.86Å; I223-Y229 HydrophobicContact CG2-CD2 3.57Å; I223-Y229 HydrophobicContact CG2-CE2 4.39Å; I223-Y229 HydrophobicContact CG2-CG 3.79Å; I223-N248 HydrophobicContact CD1-CB 3.69Å; I223-N248 WeakPolarHBondContact CG2-O 3.47Å; I223-A252 HydrophobicContact CB-CB 3.72Å; I223-A252 HydrophobicContact CG2-CB 3.59Å; I223-A254 HydrophobicContact CG2-CB 3.89Å
224	G	97.8	Very high	97.6	Very high	7 Å²	7	36 Å²	36	7%	0.072	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-22.5	-175.8	0	0	0	0	0	114.2	K172 I220 P221 T222 C226 A252	K172-G224 WeakPolarHBondContact CD-O 3.47Å; K172-G224 PolarHBondContact NZ-O 3.27Å; I220-G224 PolarHBondContact O-N 3.36Å; P221-G224 PolarHBondContact O-N 3.1Å; P221-G224 VanDerWaalsContact O-N 3.14Å; T222-G224 VanDerWaalsContact C-N 3.3Å; T222-G224 PolarHBondContact O-N 2.6Å; G224-C226 VanDerWaalsContact C-N 3.26Å; G224-C226 PolarHBondContact O-N 2.81Å; G224-A252 WeakPolarHBondContact CA-O 3.43Å
225	H	97.4	Very high	97.5	Very high	108 Å²	108	34.7 Å²	34.7	50%	0.5	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.1	172.1	-74.1	-61.3	0	0	0	114	G173 P221 T222 I223	G173-H225 PolarHBondContact N-O 3.38Å; P221-H225 PolarHBondContact O-CD2 3.36Å; P221-H225 PolarHBondContact O-N 3.19Å; T222-H225 PolarHBondContact O-N 3.37Å; I223-H225 PolarHBondContact O-N 3.14Å
226	C	98.6	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-94.8	152	177.9	-56.1	0	0	0	0	111.9	K172 C175 S178 I223 G224	K172-C226 WeakPolarHBondContact CD-O 3.42Å; K172-C226 PolarHBondContact NZ-O 3.38Å; C175-C226 HydrophobicContact CB-CB 3.82Å; C175-C226 WeakPolarHBondContact CB-SG 3.39Å; C175-C226 VanDerWaalsContact O-CA 3.31Å; C175-C226 WeakPolarHBondContact O-CA 3.25Å; C175-C226 WeakPolarHBondContact SG-CB 3.34Å; C175-C226 CovalentContact SG-SG 2.03Å; C175-C226 PolarHBondContact SG-SG 2.9Å; S178-C226 VanDerWaalsContact CB-SG 3.53Å; I223-C226 WeakPolarHBondContact O-CB 3.21Å; I223-C226 PolarHBondContact O-N 3.41Å; G224-C226 VanDerWaalsContact C-N 3.26Å; G224-C226 PolarHBondContact O-N 2.81Å
227	N	98.7	Very high	97.5	Very high	21 Å²	21	30.5 Å²	30.5	11%	0.112	17%	0.169	C	C	.	.	S	Bend	trans	-67.2	-45	171.9	-67.6	-44.4	0	0	0	110.9	K172 C175 L176 V255 Y301	K172-N227 WeakPolarHBondContact CB-OD1 3.41Å; K172-N227 VanDerWaalsContact CG-OD1 3.3Å; K172-N227 WeakPolarHBondContact CG-OD1 3.37Å; C175-N227 PolarHBondContact O-N 3.02Å; C175-N227 VanDerWaalsContact O-N 3.15Å; L176-N227 WeakPolarHBondContact O-CB 3.22Å; L176-N227 PolarHBondContact O-N 2.7Å; N227-V255 PolarHBondContact O-N 3.01Å; N227-Y301 HydrophobicContact CB-CE2 3.84Å; N227-Y301 PolarHBondContact O-OH 3.21Å
228	F	98.9	Very high	97.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.9	-175.4	-53.9	-70.6	0	0	0	112.4	L176 A177 S178 V255 V257 I276 L291 L294 A295 Y301	L176-F228 HydrophobicContact CD1-CD2 3.99Å; L176-F228 HydrophobicContact CD1-CE2 3.8Å; L176-F228 HydrophobicContact CG-CD2 4.31Å; L176-F228 VanDerWaalsContact O-CD2 3.27Å; L176-F228 WeakPolarHBondContact O-CD2 3.15Å; L176-F228 PolarHBondContact O-N 2.83Å; A177-F228 WeakPolarHBondContact CA-O 3.29Å; A177-F228 HydrophobicContact CB-CB 4.06Å; S178-F228 PolarHBondContact N-O 3.37Å; F228-V255 WeakPolarHBondContact CA-O 3.3Å; F228-V255 HydrophobicContact CD1-CB 3.76Å; F228-V255 HydrophobicContact CD1-CG1 4.17Å; F228-V255 HydrophobicContact CE1-CB 3.97Å; F228-V255 HydrophobicContact CE1-CG1 4.23Å; F228-V257 HydrophobicContact CB-CG2 4.07Å; F228-V257 HydrophobicContact CD1-CG2 4.29Å; F228-V257 HydrophobicContact CG-CG2 4.38Å; F228-I276 HydrophobicContact CD1-CD1 4.04Å; F228-I276 HydrophobicContact CE1-CD1 3.79Å; F228-L291 HydrophobicContact CD1-CD2 3.72Å; F228-L291 HydrophobicContact CD2-CB 4.13Å; F228-L291 HydrophobicContact CD2-CD2 3.95Å; F228-L291 HydrophobicContact CD2-CG 4.44Å; F228-L291 HydrophobicContact CE1-CD2 3.73Å; F228-L291 HydrophobicContact CE2-CB 3.85Å; F228-L291 HydrophobicContact CE2-CD2 3.94Å; F228-L291 HydrophobicContact CE2-CG 4.44Å; F228-L291 VanDerWaalsContact CE2-O 3.25Å; F228-L291 WeakPolarHBondContact CE2-O 3.33Å; F228-L291 HydrophobicContact CG-CD2 3.86Å; F228-L291 HydrophobicContact CZ-CB 4.35Å; F228-L291 HydrophobicContact CZ-CD2 3.84Å; F228-L294 HydrophobicContact CE1-CD2 3.68Å; F228-L294 HydrophobicContact CE1-CG 4.26Å; F228-L294 HydrophobicContact CZ-CB 4.05Å; F228-L294 HydrophobicContact CZ-CD2 3.82Å; F228-L294 HydrophobicContact CZ-CG 3.95Å; F228-A295 HydrophobicContact CE2-CB 4.06Å; F228-Y301 HydrophobicContact CE1-CD2 4.33Å; F228-Y301 HydrophobicContact CE1-CE2 4.13Å; F228-Y301 HydrophobicContact CZ-CD2 4.3Å; F228-Y301 HydrophobicContact CZ-CE2 4.31Å
229	Y	98.9	Very high	97.3	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.1	167.9	179.3	-106.3	0	0	0	109.6	V180 I223 A231 K244 N248 A249 V255 V257	V180-Y229 HydrophobicContact CB-CE2 4.16Å; V180-Y229 HydrophobicContact CG2-CE2 3.9Å; I223-Y229 HydrophobicContact CB-CD2 4.34Å; I223-Y229 HydrophobicContact CD1-CD2 3.84Å; I223-Y229 HydrophobicContact CD1-CE2 3.54Å; I223-Y229 HydrophobicContact CG1-CD2 3.81Å; I223-Y229 HydrophobicContact CG1-CE2 3.86Å; I223-Y229 HydrophobicContact CG2-CD2 3.57Å; I223-Y229 HydrophobicContact CG2-CE2 4.39Å; I223-Y229 HydrophobicContact CG2-CG 3.79Å; Y229-A231 HydrophobicContact CD1-CB 3.89Å; Y229-A231 HydrophobicContact CE1-CB 4.07Å; Y229-A231 PolarHBondContact O-N 2.83Å; Y229-K244 HydrophobicContact CE1-CB 4.32Å; Y229-K244 WeakPolarHBondContact CE1-O 3.25Å; Y229-N248 HydrophobicContact CD1-CB 4.18Å; Y229-N248 HydrophobicContact CE1-CB 3.48Å; Y229-N248 VanDerWaalsContact CE1-CB 3.48Å; Y229-N248 HydrophobicContact CE2-CB 4.36Å; Y229-N248 PolarHBondContact OH-ND2 2.76Å; Y229-A249 HydrophobicContact CD1-CB 3.88Å; Y229-A249 HydrophobicContact CG-CB 4.47Å; Y229-V255 PolarHBondContact N-O 2.86Å; Y229-V255 VanDerWaalsContact N-O 3.1Å; Y229-V257 PolarHBondContact O-N 2.84Å
230	L	98.9	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	88.4	174.2	-55.5	-168.7	0	0	0	109.2	S178 W179 Y194 L197 I203 F232 V257	S178-L230 PolarHBondContact O-N 3.22Å; W179-L230 HydrophobicContact CB-CB 4.03Å; W179-L230 HydrophobicContact CB-CD1 4.08Å; W179-L230 HydrophobicContact CB-CG 4.27Å; W179-L230 HydrophobicContact CG-CB 4Å; W179-L230 HydrophobicContact CG-CD1 4.32Å; Y194-L230 HydrophobicContact CD2-CD1 4.43Å; L197-L230 HydrophobicContact CD2-CD1 4.36Å; L197-L230 HydrophobicContact CD2-CD2 4.22Å; I203-L230 HydrophobicContact CD1-CD1 4.01Å; I203-L230 HydrophobicContact CG2-CD1 3.91Å; L230-F232 HydrophobicContact CB-CD1 4.19Å; L230-F232 HydrophobicContact CB-CD2 4.16Å; L230-F232 HydrophobicContact CB-CE1 4.08Å; L230-F232 HydrophobicContact CB-CE2 4.05Å; L230-F232 HydrophobicContact CB-CG 4.24Å; L230-F232 HydrophobicContact CB-CZ 4.01Å; L230-F232 HydrophobicContact CD1-CE2 3.83Å; L230-F232 HydrophobicContact CD1-CZ 4.04Å; L230-F232 HydrophobicContact CD2-CE1 4.25Å; L230-F232 HydrophobicContact CD2-CZ 3.91Å; L230-F232 HydrophobicContact CG-CE2 4.35Å; L230-F232 HydrophobicContact CG-CZ 4.2Å; L230-F232 PolarHBondContact O-N 2.91Å; L230-V257 CarbonylContact C-O 3.55Å; L230-V257 HydrophobicContact CD2-CB 3.82Å; L230-V257 HydrophobicContact CD2-CG1 4.2Å; L230-V257 HydrophobicContact CD2-CG2 4.2Å
231	A	98.8	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	57.1	177.8	0	0	0	0	0	110.9	Y229 K244 P256 V257 V258	Y229-A231 HydrophobicContact CD1-CB 3.89Å; Y229-A231 HydrophobicContact CE1-CB 4.07Å; Y229-A231 PolarHBondContact O-N 2.83Å; A231-K244 HydrophobicContact CB-CB 4.09Å; A231-P256 HydrophobicContact CB-CB 4.17Å; A231-V257 PolarHBondContact N-O 3.01Å; A231-V258 HydrophobicContact CB-CG1 4.19Å
232	F	98.6	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.7	-175	-62.7	-10.5	0	0	0	112.1	R190 V193 L230 K244 V257 L259 V278	R190-F232 HydrophobicContact CB-CB 3.66Å; R190-F232 HydrophobicContact CB-CD2 4.07Å; R190-F232 HydrophobicContact CB-CG 4.28Å; V193-F232 HydrophobicContact CB-CE2 4.25Å; V193-F232 HydrophobicContact CG1-CE2 3.78Å; V193-F232 HydrophobicContact CG1-CZ 3.78Å; L230-F232 HydrophobicContact CB-CD1 4.19Å; L230-F232 HydrophobicContact CB-CD2 4.16Å; L230-F232 HydrophobicContact CB-CE1 4.08Å; L230-F232 HydrophobicContact CB-CE2 4.05Å; L230-F232 HydrophobicContact CB-CG 4.24Å; L230-F232 HydrophobicContact CB-CZ 4.01Å; L230-F232 HydrophobicContact CD1-CE2 3.83Å; L230-F232 HydrophobicContact CD1-CZ 4.04Å; L230-F232 HydrophobicContact CD2-CE1 4.25Å; L230-F232 HydrophobicContact CD2-CZ 3.91Å; L230-F232 HydrophobicContact CG-CE2 4.35Å; L230-F232 HydrophobicContact CG-CZ 4.2Å; L230-F232 PolarHBondContact O-N 2.91Å; F232-K244 WeakPolarHBondContact O-CD 3.47Å; F232-V257 WeakPolarHBondContact CD1-O 3.41Å; F232-V257 HydrophobicContact CE1-CB 4.46Å; F232-V257 HydrophobicContact CE1-CG1 4.08Å; F232-V257 WeakPolarHBondContact CE1-O 3.21Å; F232-V257 HydrophobicContact CZ-CG1 4.49Å; F232-L259 HydrophobicContact CB-CB 4.3Å; F232-L259 HydrophobicContact CD1-CB 3.57Å; F232-L259 HydrophobicContact CE1-CB 4.03Å; F232-L259 HydrophobicContact CG-CB 3.99Å; F232-L259 HydrophobicContact CG-CD2 4.41Å; F232-V278 HydrophobicContact CE1-CG1 3.78Å; F232-V278 HydrophobicContact CZ-CG1 4.03Å
233	E	97.8	Very high	97.2	Very high	5 Å²	5	21.6 Å²	21.6	2%	0.023	12%	0.117	C	C	.	.			trans	-67.2	150.5	177.3	-60.2	-61.2	173.9	0	0	112.2	R190 S235 Y240 T242 K244 L259	R190-E233 WeakPolarHBondContact CD-O 3.32Å; E233-S235 WeakPolarHBondContact CB-O 3.32Å; E233-S235 PolarHBondContact O-N 3.12Å; E233-Y240 HydrophobicContact CB-CD1 4.04Å; E233-Y240 HydrophobicContact CB-CE1 4.15Å; E233-Y240 HydrophobicContact CG-CD1 4.24Å; E233-Y240 HydrophobicContact CG-CE1 4.49Å; E233-Y240 WeakPolarHBondContact CG-O 3.29Å; E233-T242 WeakPolarHBondContact OE1-CB 3.3Å; E233-T242 PolarHBondContact OE1-N 3.35Å; E233-T242 PolarHBondContact OE1-OG1 3.26Å; E233-T242 VanDerWaalsContact OE2-CG2 3.29Å; E233-T242 WeakPolarHBondContact OE2-CG2 3.4Å; E233-T242 PolarHBondContact OE2-OG1 2.68Å; E233-K244 WeakPolarHBondContact OE2-CD 3.14Å; E233-K244 WeakPolarHBondContact OE2-CE 3.42Å; E233-K244 IonicContact OE2-NZ 3.01Å; E233-K244 PolarHBondContact OE2-NZ 3.22Å; E233-L259 WeakPolarHBondContact CB-O 3.45Å; E233-L259 PolarHBondContact N-O 3.29Å
234	N	95.1	Very high	97.2	Very high	24 Å²	24	22.6 Å²	22.6	13%	0.128	12%	0.121	C	C	.	.	S	Bend	trans	-70.8	-17.5	177.6	61.7	-4.8	0	0	0	112.6	H123 Y240	H123-N234 PolarHBondContact CD2-ND2 3.36Å; H123-N234 PolarHBondContact NE2-ND2 2.83Å; H123-N234 VanDerWaalsContact NE2-ND2 3.18Å; N234-Y240 WeakPolarHBondContact OD1-CE1 3.46Å; N234-Y240 PolarHBondContact OD1-OH 2.92Å
235	S	94.4	Very high	97.3	Very high	17 Å²	17	22.2 Å²	22.2	12%	0.119	12%	0.118	C	C	.	.	S	Bend	trans	-142.9	146.7	178.9	-56.6	0	0	0	0	110.3	P120 V122 E233	P120-S235 WeakPolarHBondContact CG-OG 3.49Å; V122-S235 WeakPolarHBondContact CG2-OG 3.39Å; E233-S235 WeakPolarHBondContact CB-O 3.32Å; E233-S235 PolarHBondContact O-N 3.12Å
236	V	94.8	Very high	97.3	Very high	98 Å²	98	17.1 Å²	17.1	59%	0.594	9%	0.094	S	C	*	.			trans	-88.8	103.9	167.1	170.8	0	0	0	0	106.9	G260	V236-G260 VanDerWaalsContact CG1-O 3.27Å; V236-G260 WeakPolarHBondContact CG1-O 3.4Å; V236-G260 WeakPolarHBondContact CG2-O 3.47Å
237	A	95	Very high	97.3	Very high	13 Å²	13	19.6 Å²	19.6	11%	0.107	10%	0.103	C	C	.	.			trans	-144.9	144.8	-178.1	0	0	0	0	0	110.1	P120 P121 D239 Y240 P261	P120-A237 HydrophobicContact CB-CB 4.16Å; P121-A237 HydrophobicContact CG-CB 4.44Å; A237-D239 PolarHBondContact O-N 3.13Å; A237-Y240 WeakPolarHBondContact O-CB 3.36Å; A237-Y240 PolarHBondContact O-N 3.09Å; A237-Y240 VanDerWaalsContact O-N 3.1Å; A237-P261 WeakPolarHBondContact O-CB 3.13Å
238	L	94.8	Very high	97.2	Very high	62 Å²	62	19.1 Å²	19.1	33%	0.325	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	129.5	180	177.2	65.8	0	0	0	110.8	Y140 Y240 N265	Y140-L238 VanDerWaalsContact CE2-O 3.28Å; Y140-L238 WeakPolarHBondContact CE2-O 3.46Å; L238-Y240 PolarHBondContact O-N 2.87Å; L238-N265 WeakPolarHBondContact CD1-ND2 3.07Å
239	D	95.3	Very high	97.2	Very high	26 Å²	26	19.1 Å²	19.1	14%	0.139	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	5.5	179	-55	-19.5	0	0	0	116.5	Y140 G142 A237 I241 N265	Y140-D239 HydrophobicContact CD2-CB 4.4Å; Y140-D239 WeakPolarHBondContact CD2-O 3.48Å; G142-D239 PolarHBondContact N-OD2 3.12Å; A237-D239 PolarHBondContact O-N 3.13Å; D239-I241 PolarHBondContact O-N 2.94Å; D239-N265 PolarHBondContact OD1-ND2 2.69Å; D239-N265 VanDerWaalsContact OD1-ND2 3.08Å
240	Y	97.3	Very high	97.2	Very high	6 Å²	6	19.3 Å²	19.3	2%	0.024	10%	0.101	C	C	.	.			trans	-77.8	85.8	-176.5	-172.1	-113.9	0	0	0	111.5	L118 P120 Y140 Y150 E233 N234 A237 L238 T242 P261	L118-Y240 WeakPolarHBondContact O-CE2 3.31Å; P120-Y240 HydrophobicContact CB-CD1 4.2Å; P120-Y240 HydrophobicContact CB-CD2 4.21Å; P120-Y240 HydrophobicContact CB-CE1 4.25Å; P120-Y240 HydrophobicContact CB-CE2 4.23Å; P120-Y240 HydrophobicContact CB-CG 4.18Å; P120-Y240 HydrophobicContact CG-CD1 4.46Å; P120-Y240 HydrophobicContact CG-CE1 4.02Å; P120-Y240 HydrophobicContact CG-CE2 4.2Å; Y140-Y240 AromaticContact CD1-CD2 3.77Å; Y140-Y240 HydrophobicContact CD1-CD2 3.77Å; Y140-Y240 HydrophobicContact CD1-CE2 4.22Å; Y140-Y240 HydrophobicContact CD2-CD2 4.04Å; Y140-Y240 AromaticContact CE1-CD2 3.47Å; Y140-Y240 HydrophobicContact CE1-CD2 3.47Å; Y140-Y240 VanDerWaalsContact CE1-CD2 3.47Å; Y140-Y240 HydrophobicContact CE1-CE2 4.03Å; Y140-Y240 HydrophobicContact CE1-CG 4.46Å; Y140-Y240 VanDerWaalsContact CE2-CA 3.47Å; Y140-Y240 AromaticContact CE2-CD2 3.75Å; Y140-Y240 HydrophobicContact CE2-CD2 3.75Å; Y140-Y240 HydrophobicContact CE2-CG 4.14Å; Y140-Y240 HydrophobicContact CG-CD2 4.06Å; Y140-Y240 AromaticContact CZ-CD2 3.46Å; Y140-Y240 VanDerWaalsContact CZ-CD2 3.46Å; Y150-Y240 HydrophobicContact CE2-CE2 4.46Å; E233-Y240 HydrophobicContact CB-CD1 4.04Å; E233-Y240 HydrophobicContact CB-CE1 4.15Å; E233-Y240 HydrophobicContact CG-CD1 4.24Å; E233-Y240 HydrophobicContact CG-CE1 4.49Å; E233-Y240 WeakPolarHBondContact CG-O 3.29Å; N234-Y240 WeakPolarHBondContact OD1-CE1 3.46Å; N234-Y240 PolarHBondContact OD1-OH 2.92Å; A237-Y240 WeakPolarHBondContact O-CB 3.36Å; A237-Y240 PolarHBondContact O-N 3.09Å; A237-Y240 VanDerWaalsContact O-N 3.1Å; L238-Y240 PolarHBondContact O-N 2.87Å; Y240-T242 HydrophobicContact CD1-CG2 4.18Å; Y240-T242 HydrophobicContact CD2-CG2 4Å; Y240-T242 HydrophobicContact CE1-CG2 3.67Å; Y240-T242 HydrophobicContact CE2-CG2 3.52Å; Y240-T242 HydrophobicContact CG-CG2 4.34Å; Y240-P261 WeakPolarHBondContact O-CD 3.4Å
241	I	97.8	Very high	97.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.12	C	C	.	.			trans	-127.2	114.1	-178.8	-61.6	170.4	0	0	0	108.8	D239 L245 W246 P261 Y266 L269	D239-I241 PolarHBondContact O-N 2.94Å; I241-L245 HydrophobicContact CG2-CB 3.79Å; I241-L245 HydrophobicContact CG2-CD2 3.34Å; I241-L245 HydrophobicContact CG2-CG 4.19Å; I241-W246 PolarHBondContact O-NE1 3.23Å; I241-P261 HydrophobicContact CD1-CG 3.86Å; I241-P261 HydrophobicContact CG1-CG 3.67Å; I241-Y266 HydrophobicContact CB-CE1 4.4Å; I241-Y266 HydrophobicContact CD1-CD1 3.37Å; I241-Y266 HydrophobicContact CD1-CD2 4.23Å; I241-Y266 HydrophobicContact CD1-CE1 3.6Å; I241-Y266 HydrophobicContact CD1-CE2 4.42Å; I241-Y266 HydrophobicContact CD1-CG 3.7Å; I241-Y266 HydrophobicContact CG1-CD1 3.96Å; I241-Y266 HydrophobicContact CG1-CE1 3.61Å; I241-Y266 HydrophobicContact CG2-CD1 4.34Å; I241-Y266 HydrophobicContact CG2-CE1 3.92Å; I241-L269 HydrophobicContact CD1-CD1 4.07Å
242	T	97.8	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.			trans	-113.2	-166.1	-160.2	71.7	0	0	0	0	113.8	Y150 E233 Y240 K244 L245 W246	Y150-T242 HydrophobicContact CD2-CG2 4.1Å; Y150-T242 HydrophobicContact CE2-CG2 3.84Å; E233-T242 WeakPolarHBondContact OE1-CB 3.3Å; E233-T242 PolarHBondContact OE1-N 3.35Å; E233-T242 PolarHBondContact OE1-OG1 3.26Å; E233-T242 VanDerWaalsContact OE2-CG2 3.29Å; E233-T242 WeakPolarHBondContact OE2-CG2 3.4Å; E233-T242 PolarHBondContact OE2-OG1 2.68Å; Y240-T242 HydrophobicContact CD1-CG2 4.18Å; Y240-T242 HydrophobicContact CD2-CG2 4Å; Y240-T242 HydrophobicContact CE1-CG2 3.67Å; Y240-T242 HydrophobicContact CE2-CG2 3.52Å; Y240-T242 HydrophobicContact CG-CG2 4.34Å; T242-K244 PolarHBondContact O-N 3.14Å; T242-K244 PolarHBondContact OG1-N 2.8Å; T242-K244 PolarHBondContact OG1-NZ 2.81Å; T242-L245 PolarHBondContact O-N 3.31Å; T242-L245 VanDerWaalsContact O-N 3.13Å; T242-W246 PolarHBondContact O-N 3.08Å
243	E	97.4	Very high	96.9	Very high	62 Å²	62	23.3 Å²	23.3	29%	0.29	12%	0.121	S	C	.	.	H	α-helix	trans	-51.9	-22.9	173.3	78.2	-65.4	150.4	0	0	113.4	L245 R247 N248	E243-L245 VanDerWaalsContact C-N 3.35Å; E243-L245 PolarHBondContact O-N 2.88Å; E243-R247 HydrophobicContact CB-CB 3.98Å; E243-R247 CarbonylContact O-C 3.57Å; E243-R247 WeakPolarHBondContact O-CA 3.28Å; E243-R247 VanDerWaalsContact O-CB 3.25Å; E243-R247 WeakPolarHBondContact O-CB 3.2Å; E243-R247 PolarHBondContact O-N 2.61Å; E243-N248 PolarHBondContact O-N 2.94Å
244	K	98.3	Very high	97	Very high	21 Å²	21	23.1 Å²	23.1	9%	0.091	12%	0.12	C	C	.	.	I	π-helix	trans	-60.6	-43.5	178.2	-66	173.8	-152.4	62	0	112	Y229 A231 F232 E233 T242 N248 A249	Y229-K244 HydrophobicContact CE1-CB 4.32Å; Y229-K244 WeakPolarHBondContact CE1-O 3.25Å; A231-K244 HydrophobicContact CB-CB 4.09Å; F232-K244 WeakPolarHBondContact O-CD 3.47Å; E233-K244 WeakPolarHBondContact OE2-CD 3.14Å; E233-K244 WeakPolarHBondContact OE2-CE 3.42Å; E233-K244 IonicContact OE2-NZ 3.01Å; E233-K244 PolarHBondContact OE2-NZ 3.22Å; T242-K244 PolarHBondContact O-N 3.14Å; T242-K244 PolarHBondContact OG1-N 2.8Å; T242-K244 PolarHBondContact OG1-NZ 2.81Å; K244-N248 WeakPolarHBondContact O-CB 3.34Å; K244-A249 PolarHBondContact O-N 2.99Å
245	L	98.6	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-77.2	-56.1	172.9	-175.8	70.5	0	0	0	110.2	I241 T242 E243 Y250 P256 V258 Y266 V270	I241-L245 HydrophobicContact CG2-CB 3.79Å; I241-L245 HydrophobicContact CG2-CD2 3.34Å; I241-L245 HydrophobicContact CG2-CG 4.19Å; T242-L245 PolarHBondContact O-N 3.31Å; T242-L245 VanDerWaalsContact O-N 3.13Å; E243-L245 VanDerWaalsContact C-N 3.35Å; E243-L245 PolarHBondContact O-N 2.88Å; L245-Y250 HydrophobicContact CD1-CE1 4.14Å; L245-Y250 HydrophobicContact CD1-CE2 4.08Å; L245-Y250 HydrophobicContact CD2-CE2 3.96Å; L245-Y250 HydrophobicContact CG-CD2 4.15Å; L245-Y250 HydrophobicContact CG-CE2 3.72Å; L245-Y250 WeakPolarHBondContact O-CB 3.46Å; L245-Y250 PolarHBondContact O-N 2.95Å; L245-P256 HydrophobicContact CD1-CB 3.56Å; L245-P256 HydrophobicContact CD1-CG 3.53Å; L245-V258 HydrophobicContact CD1-CG1 3.91Å; L245-Y266 HydrophobicContact CD2-CD1 4.15Å; L245-Y266 HydrophobicContact CD2-CE1 4.21Å; L245-V270 HydrophobicContact CD2-CG1 4.01Å; L245-V270 HydrophobicContact CD2-CG2 4.43Å
246	W	98	Very high	97.4	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.109	C	C	.	.	I	π-helix	trans	-71.3	-49.7	-165.9	-62	112.1	0	0	0	113.8	G151 I153 I241 T242 Y250 L269 V270 I313 M315	G151-W246 VanDerWaalsContact O-CZ2 3.24Å; G151-W246 WeakPolarHBondContact O-CZ2 3.18Å; I153-W246 HydrophobicContact CG1-CH2 4.12Å; I153-W246 HydrophobicContact CG1-CZ3 3.76Å; I241-W246 PolarHBondContact O-NE1 3.23Å; T242-W246 PolarHBondContact O-N 3.08Å; W246-Y250 AromaticContact CE3-CD2 3.99Å; W246-Y250 HydrophobicContact CE3-CD2 3.99Å; W246-Y250 HydrophobicContact CE3-CE2 4.16Å; W246-Y250 HydrophobicContact CZ3-CD2 4.35Å; W246-Y250 HydrophobicContact CZ3-CE2 4.16Å; W246-Y250 WeakPolarHBondContact O-CB 3.19Å; W246-L269 HydrophobicContact CZ2-CB 4.45Å; W246-V270 HydrophobicContact CH2-CG1 3.4Å; W246-V270 VanDerWaalsContact CH2-CG1 3.4Å; W246-V270 HydrophobicContact CZ2-CG1 3.99Å; W246-V270 HydrophobicContact CZ3-CG1 3.95Å; W246-I313 HydrophobicContact CE3-CG2 4.26Å; W246-I313 HydrophobicContact CZ3-CG2 4.38Å; W246-I313 WeakPolarHBondContact O-CD1 3.24Å; W246-M315 HydrophobicContact CB-CG 4.27Å; W246-M315 HydrophobicContact CB-SD 3.59Å; W246-M315 VanDerWaalsContact CB-SD 3.59Å
247	R	97.4	Very high	97.6	Very high	52 Å²	52	16.7 Å²	16.7	20%	0.196	8%	0.081	C	C	.	.	I	π-helix	trans	-85.7	-61.3	-178.5	-169	177.6	176.3	-73.7	4.7	109.3	D216 I220 E243 Q251 M315	D216-R247 IonicContact OD1-NH2 2.81Å; I220-R247 HydrophobicContact CD1-CG 4.21Å; I220-R247 VanDerWaalsContact CD1-O 3.3Å; I220-R247 WeakPolarHBondContact CD1-O 3.36Å; E243-R247 HydrophobicContact CB-CB 3.98Å; E243-R247 CarbonylContact O-C 3.57Å; E243-R247 WeakPolarHBondContact O-CA 3.28Å; E243-R247 VanDerWaalsContact O-CB 3.25Å; E243-R247 WeakPolarHBondContact O-CB 3.2Å; E243-R247 PolarHBondContact O-N 2.61Å; R247-Q251 WeakPolarHBondContact O-CB 3.31Å; R247-Q251 PolarHBondContact O-N 3Å; R247-Q251 VanDerWaalsContact O-N 3.1Å; R247-M315 HydrophobicContact CB-CE 3.51Å; R247-M315 HydrophobicContact CB-SD 3.63Å; R247-M315 HydrophobicContact CG-CE 3.59Å; R247-M315 HydrophobicContact CG-SD 4.36Å; R247-M315 PolarHBondContact N-SD 3.26Å
248	N	98.3	Very high	97.8	Very high	11 Å²	11	16.1 Å²	16.1	6%	0.059	8%	0.076	C	C	.	.	I	π-helix	trans	-71.8	-49.7	-164.1	-66.7	-3.3	0	0	0	112.4	I223 Y229 E243 K244 A252	I223-N248 HydrophobicContact CD1-CB 3.69Å; I223-N248 WeakPolarHBondContact CG2-O 3.47Å; Y229-N248 HydrophobicContact CD1-CB 4.18Å; Y229-N248 HydrophobicContact CE1-CB 3.48Å; Y229-N248 VanDerWaalsContact CE1-CB 3.48Å; Y229-N248 HydrophobicContact CE2-CB 4.36Å; Y229-N248 PolarHBondContact OH-ND2 2.76Å; E243-N248 PolarHBondContact O-N 2.94Å; K244-N248 WeakPolarHBondContact O-CB 3.34Å; N248-A252 WeakPolarHBondContact O-CB 3.3Å
249	A	98.5	Very high	97.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-77.3	-59.4	177.8	0	0	0	0	0	112.1	Y229 K244 A252 G253 A254 P256	Y229-A249 HydrophobicContact CD1-CB 3.88Å; Y229-A249 HydrophobicContact CG-CB 4.47Å; K244-A249 PolarHBondContact O-N 2.99Å; A249-A252 PolarHBondContact O-N 2.92Å; A249-G253 PolarHBondContact O-N 3.02Å; A249-A254 PolarHBondContact O-N 2.8Å; A249-P256 HydrophobicContact CB-CB 3.58Å; A249-P256 HydrophobicContact CB-CG 4.12Å
250	Y	98	Very high	98	Very high	5 Å²	5	13.1 Å²	13.1	2%	0.02	6%	0.062	C	C	.	.	I	π-helix	trans	-66.2	-45.8	-171.3	-80.2	-13.7	0	0	0	113	L245 W246 A252 G253 P256 V270 S274 W307 R308 I313	L245-Y250 HydrophobicContact CD1-CE1 4.14Å; L245-Y250 HydrophobicContact CD1-CE2 4.08Å; L245-Y250 HydrophobicContact CD2-CE2 3.96Å; L245-Y250 HydrophobicContact CG-CD2 4.15Å; L245-Y250 HydrophobicContact CG-CE2 3.72Å; L245-Y250 WeakPolarHBondContact O-CB 3.46Å; L245-Y250 PolarHBondContact O-N 2.95Å; W246-Y250 AromaticContact CE3-CD2 3.99Å; W246-Y250 HydrophobicContact CE3-CD2 3.99Å; W246-Y250 HydrophobicContact CE3-CE2 4.16Å; W246-Y250 HydrophobicContact CZ3-CD2 4.35Å; W246-Y250 HydrophobicContact CZ3-CE2 4.16Å; W246-Y250 WeakPolarHBondContact O-CB 3.19Å; Y250-A252 VanDerWaalsContact C-N 3.3Å; Y250-A252 PolarHBondContact O-N 3.1Å; Y250-G253 PolarHBondContact O-N 2.88Å; Y250-P256 HydrophobicContact CD1-CG 4.21Å; Y250-P256 HydrophobicContact CE1-CG 3.71Å; Y250-V270 HydrophobicContact CE2-CG1 4.01Å; Y250-V270 WeakPolarHBondContact OH-CB 3.43Å; Y250-S274 WeakPolarHBondContact CE1-O 3.3Å; Y250-S274 PolarHBondContact OH-OG 2.78Å; Y250-W307 HydrophobicContact CD1-CH2 4.25Å; Y250-W307 AromaticContact CD1-CZ2 3.65Å; Y250-W307 HydrophobicContact CD1-CZ2 3.65Å; Y250-W307 HydrophobicContact CD2-CH2 4.03Å; Y250-W307 HydrophobicContact CD2-CZ2 4.22Å; Y250-W307 HydrophobicContact CE1-CH2 4.37Å; Y250-W307 AromaticContact CE1-CZ2 3.62Å; Y250-W307 HydrophobicContact CE1-CZ2 3.62Å; Y250-W307 HydrophobicContact CE2-CH2 4.18Å; Y250-W307 HydrophobicContact CE2-CZ2 4.22Å; Y250-W307 HydrophobicContact CG-CH2 4.08Å; Y250-W307 AromaticContact CG-CZ2 3.96Å; Y250-W307 HydrophobicContact CG-CZ2 3.96Å; Y250-W307 AromaticContact CZ-CZ2 3.94Å; Y250-R308 VanDerWaalsContact CB-NH2 3.28Å; Y250-R308 PolarHBondContact O-NH2 3.43Å; Y250-I313 HydrophobicContact CD2-CG2 3.95Å; Y250-I313 HydrophobicContact CG-CG2 4.49Å
251	Q	96.3	Very high	98	Very high	83 Å²	83	13 Å²	13	39%	0.388	6%	0.062	S	C	.	.	I	π-helix	trans	-69	-31.7	177.8	-60.4	179.9	-18.2	0	0	112.2	I220 R247 G253 I313	I220-Q251 HydrophobicContact CD1-CB 4.2Å; R247-Q251 WeakPolarHBondContact O-CB 3.31Å; R247-Q251 PolarHBondContact O-N 3Å; R247-Q251 VanDerWaalsContact O-N 3.1Å; Q251-G253 PolarHBondContact O-N 3.1Å; Q251-I313 HydrophobicContact CB-CD1 4.43Å; Q251-I313 HydrophobicContact CG-CD1 3.28Å; Q251-I313 HydrophobicContact CG-CG1 4.5Å
252	A	97.6	Very high	98	Very high	2 Å²	2	16.9 Å²	16.9	2%	0.017	9%	0.085	C	C	.	.	H	α-helix	trans	-74.9	-12.7	176.2	0	0	0	0	0	114	I220 I223 G224 N248 A249 Y250 A254	I220-A252 HydrophobicContact CD1-CB 4.43Å; I220-A252 HydrophobicContact CG2-CB 4.04Å; I220-A252 WeakPolarHBondContact O-CB 3.49Å; I223-A252 HydrophobicContact CB-CB 3.72Å; I223-A252 HydrophobicContact CG2-CB 3.59Å; G224-A252 WeakPolarHBondContact CA-O 3.43Å; N248-A252 WeakPolarHBondContact O-CB 3.3Å; A249-A252 PolarHBondContact O-N 2.92Å; Y250-A252 VanDerWaalsContact C-N 3.3Å; Y250-A252 PolarHBondContact O-N 3.1Å; A252-A254 VanDerWaalsContact C-N 3.27Å; A252-A254 PolarHBondContact O-N 3.4Å
253	G	97.6	Very high	98	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	27.6	-177	0	0	0	0	0	113.4	Y167 K172 A249 Y250 Q251 F305	Y167-G253 WeakPolarHBondContact OH-CA 3.4Å; K172-G253 WeakPolarHBondContact CE-O 3.26Å; K172-G253 PolarHBondContact NZ-O 2.94Å; A249-G253 PolarHBondContact O-N 3.02Å; Y250-G253 PolarHBondContact O-N 2.88Å; Q251-G253 PolarHBondContact O-N 3.1Å; G253-F305 WeakPolarHBondContact O-CE1 3.02Å; G253-F305 WeakPolarHBondContact O-CZ 2.99Å
254	A	98.4	Very high	98	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.008	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-93.8	144.4	167.7	0	0	0	0	0	109.3	I223 A249 A252 P256	I223-A254 HydrophobicContact CG2-CB 3.89Å; A249-A254 PolarHBondContact O-N 2.8Å; A252-A254 VanDerWaalsContact C-N 3.27Å; A252-A254 PolarHBondContact O-N 3.4Å; A254-P256 WeakPolarHBondContact O-CD 3.41Å
255	V	98.8	Very high	97.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.2	175.5	177.5	0	0	0	0	108.5	N227 F228 Y229 V257 I276 Y301 Y304 F305	N227-V255 PolarHBondContact O-N 3.01Å; F228-V255 WeakPolarHBondContact CA-O 3.3Å; F228-V255 HydrophobicContact CD1-CB 3.76Å; F228-V255 HydrophobicContact CD1-CG1 4.17Å; F228-V255 HydrophobicContact CE1-CB 3.97Å; F228-V255 HydrophobicContact CE1-CG1 4.23Å; Y229-V255 PolarHBondContact N-O 2.86Å; Y229-V255 VanDerWaalsContact N-O 3.1Å; V255-V257 PolarHBondContact O-N 2.84Å; V255-I276 HydrophobicContact CG1-CD1 3.69Å; V255-I276 HydrophobicContact CG1-CG1 4.04Å; V255-Y301 HydrophobicContact CB-CE2 4.29Å; V255-Y301 HydrophobicContact CG2-CD2 4.11Å; V255-Y301 HydrophobicContact CG2-CE2 3.52Å; V255-Y304 HydrophobicContact CG1-CD1 3.65Å; V255-Y304 HydrophobicContact CG1-CD2 4.46Å; V255-Y304 HydrophobicContact CG1-CE1 4.18Å; V255-Y304 HydrophobicContact CG1-CG 3.81Å; V255-Y304 HydrophobicContact CG2-CG 4.09Å; V255-F305 HydrophobicContact CG2-CD2 4.46Å; V255-F305 HydrophobicContact CG2-CE2 3.44Å; V255-F305 VanDerWaalsContact CG2-CE2 3.44Å; V255-F305 HydrophobicContact CG2-CZ 3.54Å
256	P	98.9	Very high	97.9	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.019	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.5	-179.4	23.5	-27.2	0	0	0	111.3	A231 L245 A249 Y250 A254 V258 S274 F275 I276	A231-P256 HydrophobicContact CB-CB 4.17Å; L245-P256 HydrophobicContact CD1-CB 3.56Å; L245-P256 HydrophobicContact CD1-CG 3.53Å; A249-P256 HydrophobicContact CB-CB 3.58Å; A249-P256 HydrophobicContact CB-CG 4.12Å; Y250-P256 HydrophobicContact CD1-CG 4.21Å; Y250-P256 HydrophobicContact CE1-CG 3.71Å; A254-P256 WeakPolarHBondContact O-CD 3.41Å; P256-V258 HydrophobicContact CB-CG1 3.88Å; P256-S274 WeakPolarHBondContact CD-O 3.44Å; P256-S274 WeakPolarHBondContact CG-O 3.34Å; P256-F275 HydrophobicContact CB-CB 4.47Å; P256-F275 HydrophobicContact CG-CB 3.77Å; P256-I276 PolarHBondContact O-N 3.06Å
257	V	98.9	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113	161.6	-173.3	0	0	0	0	106.7	F228 Y229 L230 A231 F232 V255 I276 V278 L287 L291	F228-V257 HydrophobicContact CB-CG2 4.07Å; F228-V257 HydrophobicContact CD1-CG2 4.29Å; F228-V257 HydrophobicContact CG-CG2 4.38Å; Y229-V257 PolarHBondContact O-N 2.84Å; L230-V257 CarbonylContact C-O 3.55Å; L230-V257 HydrophobicContact CD2-CB 3.82Å; L230-V257 HydrophobicContact CD2-CG1 4.2Å; L230-V257 HydrophobicContact CD2-CG2 4.2Å; A231-V257 PolarHBondContact N-O 3.01Å; F232-V257 WeakPolarHBondContact CD1-O 3.41Å; F232-V257 HydrophobicContact CE1-CB 4.46Å; F232-V257 HydrophobicContact CE1-CG1 4.08Å; F232-V257 WeakPolarHBondContact CE1-O 3.21Å; F232-V257 HydrophobicContact CZ-CG1 4.49Å; V255-V257 PolarHBondContact O-N 2.84Å; V257-I276 CarbonylContact C-O 3.45Å; V257-I276 WeakPolarHBondContact CA-O 3.42Å; V257-I276 HydrophobicContact CG2-CB 4.41Å; V257-I276 HydrophobicContact CG2-CD1 4.36Å; V257-V278 HydrophobicContact CG1-CG1 3.96Å; V257-L287 HydrophobicContact CG1-CD1 4.19Å; V257-L287 HydrophobicContact CG1-CD2 4.12Å; V257-L291 HydrophobicContact CG2-CD1 4.15Å; V257-L291 HydrophobicContact CG2-CD2 3.78Å
258	V	98.9	Very high	97.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.1	-166.2	-55	0	0	0	0	112.2	A231 L245 P256 Y266 F275 I276 H277 V278	A231-V258 HydrophobicContact CB-CG1 4.19Å; L245-V258 HydrophobicContact CD1-CG1 3.91Å; P256-V258 HydrophobicContact CB-CG1 3.88Å; V258-Y266 HydrophobicContact CB-CE1 3.8Å; V258-Y266 HydrophobicContact CB-CE2 4.18Å; V258-Y266 HydrophobicContact CG1-CD1 4.42Å; V258-Y266 HydrophobicContact CG1-CE1 3.86Å; V258-Y266 HydrophobicContact CG2-CD1 4.24Å; V258-Y266 HydrophobicContact CG2-CD2 4.11Å; V258-Y266 HydrophobicContact CG2-CE1 3.95Å; V258-Y266 HydrophobicContact CG2-CE2 3.8Å; V258-Y266 HydrophobicContact CG2-CG 4.33Å; V258-F275 HydrophobicContact CG1-CB 4.1Å; V258-F275 HydrophobicContact CG1-CD2 4.48Å; V258-F275 HydrophobicContact CG2-CD2 3.54Å; V258-F275 HydrophobicContact CG2-CE2 4.11Å; V258-F275 HydrophobicContact CG2-CG 4.39Å; V258-I276 PolarHBondContact N-O 3.34Å; V258-H277 HydrophobicContact CG2-CB 4.23Å; V258-H277 VanDerWaalsContact CG2-CD2 3.46Å; V258-H277 WeakPolarHBondContact CG2-CD2 3.41Å; V258-V278 WeakPolarHBondContact O-CG1 3.37Å; V258-V278 PolarHBondContact O-N 2.69Å; V258-V278 VanDerWaalsContact O-N 3.14Å
259	L	98.5	Very high	97.5	Very high	21 Å²	21	28 Å²	28	11%	0.11	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	120.5	168.1	170.4	69.2	0	0	0	106.9	A189 R190 V193 F232 E233 V278	A189-L259 HydrophobicContact CB-CD2 4.38Å; R190-L259 VanDerWaalsContact CA-CD2 3.47Å; R190-L259 HydrophobicContact CB-CD2 3.99Å; V193-L259 HydrophobicContact CB-CD2 4.31Å; V193-L259 HydrophobicContact CG2-CD2 3.93Å; F232-L259 HydrophobicContact CB-CB 4.3Å; F232-L259 HydrophobicContact CD1-CB 3.57Å; F232-L259 HydrophobicContact CE1-CB 4.03Å; F232-L259 HydrophobicContact CG-CB 3.99Å; F232-L259 HydrophobicContact CG-CD2 4.41Å; E233-L259 WeakPolarHBondContact CB-O 3.45Å; E233-L259 PolarHBondContact N-O 3.29Å; L259-V278 HydrophobicContact CB-CG1 4.36Å; L259-V278 HydrophobicContact CB-CG2 3.88Å; L259-V278 HydrophobicContact CD1-CG2 3.55Å; L259-V278 HydrophobicContact CG-CG2 4.24Å
260	G	97.1	Very high	97.3	Very high	5 Å²	5	28.2 Å²	28.2	5%	0.052	17%	0.165	C	C	.	.	S	Bend	trans	-179.9	-124.9	-174.9	0	0	0	0	0	108.7	V236	V236-G260 VanDerWaalsContact CG1-O 3.27Å; V236-G260 WeakPolarHBondContact CG1-O 3.4Å; V236-G260 WeakPolarHBondContact CG2-O 3.47Å
261	P	96.8	Very high	97.2	Very high	4 Å²	4	30 Å²	30	3%	0.026	18%	0.177	C	C	.	.	S	Bend	trans	-65.4	-178.6	172.1	30.4	-36.5	0	0	0	112.6	A237 Y240 I241 N265 Y266 H277	A237-P261 WeakPolarHBondContact O-CB 3.13Å; Y240-P261 WeakPolarHBondContact O-CD 3.4Å; I241-P261 HydrophobicContact CD1-CG 3.86Å; I241-P261 HydrophobicContact CG1-CG 3.67Å; P261-N265 HydrophobicContact CB-CB 3.7Å; P261-N265 HydrophobicContact CG-CB 4.03Å; P261-Y266 HydrophobicContact CG-CD2 4.07Å; P261-Y266 HydrophobicContact CG-CE2 3.71Å; P261-Y266 WeakPolarHBondContact O-CE2 3.15Å; P261-H277 PolarHBondContact O-NE2 3.43Å; P261-H277 VanDerWaalsContact O-NE2 3.08Å
262	T	97.7	Very high	97.2	Very high	82 Å²	82	29.3 Å²	29.3	50%	0.503	18%	0.18	S	C	.	.			trans	-62.4	157.8	178	70.9	0	0	0	0	112.1	A264 N265 Y266	T262-A264 PolarHBondContact O-N 2.76Å; T262-N265 WeakPolarHBondContact O-CB 3.48Å; T262-N265 PolarHBondContact O-N 2.96Å; T262-N265 PolarHBondContact OG1-N 3.46Å; T262-N265 PolarHBondContact OG1-OD1 3.16Å; T262-Y266 WeakPolarHBondContact O-CD2 3.47Å; T262-Y266 PolarHBondContact O-N 2.94Å
263	R	97.8	Very high	97.1	Very high	69 Å²	69	31.4 Å²	31.4	26%	0.26	20%	0.202	S	C	.	.	H	α-helix	trans	-50.8	-44.1	172.3	-178.2	-179.1	-179.2	82	18.7	112.2	N265 Y266 E267 P272 F275 D280	R263-N265 VanDerWaalsContact C-N 3.29Å; R263-N265 PolarHBondContact O-N 3.24Å; R263-Y266 WeakPolarHBondContact O-CB 3.49Å; R263-Y266 PolarHBondContact O-N 3.36Å; R263-Y266 VanDerWaalsContact O-N 3.12Å; R263-E267 HydrophobicContact CG-CG 4.38Å; R263-E267 IonicContact CZ-OE1 3.8Å; R263-E267 IonicContact NE-OE1 3.91Å; R263-E267 PolarHBondContact NE-OE1 3.48Å; R263-E267 IonicContact NH2-OE1 2.97Å; R263-E267 PolarHBondContact NH2-OE1 3.45Å; R263-E267 WeakPolarHBondContact O-CG 3.29Å; R263-E267 PolarHBondContact O-N 3.33Å; R263-P272 PolarHBondContact NH2-O 2.89Å; R263-F275 HydrophobicContact CG-CE2 4.28Å; R263-F275 HydrophobicContact CG-CZ 4.23Å; R263-D280 WeakPolarHBondContact CD-OD1 3.47Å; R263-D280 IonicContact CZ-OD1 3.25Å; R263-D280 IonicContact CZ-OD2 2.58Å; R263-D280 IonicContact NE-OD1 3.31Å; R263-D280 IonicContact NH1-OD1 3.96Å; R263-D280 PolarHBondContact NH1-OD1 2.79Å; R263-D280 IonicContact NH1-OD2 3.91Å; R263-D280 PolarHBondContact NH1-OD2 2.87Å
264	A	97.4	Very high	97.2	Very high	65 Å²	65	31.5 Å²	31.5	54%	0.537	20%	0.202	S	C	.	.	H	α-helix	trans	-61.6	-35.4	179.2	0	0	0	0	0	112.7	T262 E267 A268	T262-A264 PolarHBondContact O-N 2.76Å; A264-E267 PolarHBondContact O-N 2.84Å; A264-A268 PolarHBondContact O-N 3.14Å
265	N	96.4	Very high	97.2	Very high	30 Å²	30	31.6 Å²	31.6	16%	0.16	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-36.8	174.3	-70.5	122.4	0	0	0	112.6	L238 D239 P261 T262 R263 A268	L238-N265 WeakPolarHBondContact CD1-ND2 3.07Å; D239-N265 PolarHBondContact OD1-ND2 2.69Å; D239-N265 VanDerWaalsContact OD1-ND2 3.08Å; P261-N265 HydrophobicContact CB-CB 3.7Å; P261-N265 HydrophobicContact CG-CB 4.03Å; T262-N265 WeakPolarHBondContact O-CB 3.48Å; T262-N265 PolarHBondContact O-N 2.96Å; T262-N265 PolarHBondContact OG1-N 3.46Å; T262-N265 PolarHBondContact OG1-OD1 3.16Å; R263-N265 VanDerWaalsContact C-N 3.29Å; R263-N265 PolarHBondContact O-N 3.24Å; N265-A268 PolarHBondContact O-N 2.83Å
266	Y	97.7	Very high	97.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-47.2	170.7	-78.7	-86.5	0	0	0	110.4	I241 L245 V258 P261 T262 R263 A268 L269 V270 F275 H277	I241-Y266 HydrophobicContact CB-CE1 4.4Å; I241-Y266 HydrophobicContact CD1-CD1 3.37Å; I241-Y266 HydrophobicContact CD1-CD2 4.23Å; I241-Y266 HydrophobicContact CD1-CE1 3.6Å; I241-Y266 HydrophobicContact CD1-CE2 4.42Å; I241-Y266 HydrophobicContact CD1-CG 3.7Å; I241-Y266 HydrophobicContact CG1-CD1 3.96Å; I241-Y266 HydrophobicContact CG1-CE1 3.61Å; I241-Y266 HydrophobicContact CG2-CD1 4.34Å; I241-Y266 HydrophobicContact CG2-CE1 3.92Å; L245-Y266 HydrophobicContact CD2-CD1 4.15Å; L245-Y266 HydrophobicContact CD2-CE1 4.21Å; V258-Y266 HydrophobicContact CB-CE1 3.8Å; V258-Y266 HydrophobicContact CB-CE2 4.18Å; V258-Y266 HydrophobicContact CG1-CD1 4.42Å; V258-Y266 HydrophobicContact CG1-CE1 3.86Å; V258-Y266 HydrophobicContact CG2-CD1 4.24Å; V258-Y266 HydrophobicContact CG2-CD2 4.11Å; V258-Y266 HydrophobicContact CG2-CE1 3.95Å; V258-Y266 HydrophobicContact CG2-CE2 3.8Å; V258-Y266 HydrophobicContact CG2-CG 4.33Å; P261-Y266 HydrophobicContact CG-CD2 4.07Å; P261-Y266 HydrophobicContact CG-CE2 3.71Å; P261-Y266 WeakPolarHBondContact O-CE2 3.15Å; T262-Y266 WeakPolarHBondContact O-CD2 3.47Å; T262-Y266 PolarHBondContact O-N 2.94Å; R263-Y266 WeakPolarHBondContact O-CB 3.49Å; R263-Y266 PolarHBondContact O-N 3.36Å; R263-Y266 VanDerWaalsContact O-N 3.12Å; Y266-A268 PolarHBondContact O-N 3.39Å; Y266-L269 PolarHBondContact O-N 3.2Å; Y266-V270 VanDerWaalsContact O-CG2 3.29Å; Y266-V270 WeakPolarHBondContact O-CG2 3.42Å; Y266-V270 PolarHBondContact O-N 2.71Å; Y266-F275 HydrophobicContact CG-CE2 4.17Å; Y266-F275 HydrophobicContact CG-CZ 4.26Å; Y266-H277 AromaticContact CD2-CD2 3.74Å; Y266-H277 AromaticContact CD2-NE2 3.92Å; Y266-H277 AromaticContact CE2-CD2 3.9Å; Y266-H277 AromaticContact CE2-NE2 3.81Å
267	E	97.1	Very high	97.2	Very high	73 Å²	73	31.9 Å²	31.9	34%	0.341	20%	0.203	S	C	.	.	H	α-helix	trans	-64.3	-24.3	-178.7	-67.1	-178.4	166.4	0	0	113.6	R263 A264 L269 V270 P272 F275	R263-E267 HydrophobicContact CG-CG 4.38Å; R263-E267 IonicContact CZ-OE1 3.8Å; R263-E267 IonicContact NE-OE1 3.91Å; R263-E267 PolarHBondContact NE-OE1 3.48Å; R263-E267 IonicContact NH2-OE1 2.97Å; R263-E267 PolarHBondContact NH2-OE1 3.45Å; R263-E267 WeakPolarHBondContact O-CG 3.29Å; R263-E267 PolarHBondContact O-N 3.33Å; A264-E267 PolarHBondContact O-N 2.84Å; E267-L269 PolarHBondContact O-N 3.34Å; E267-V270 WeakPolarHBondContact CA-O 3.25Å; E267-P272 HydrophobicContact CB-CG 4.36Å; E267-P272 HydrophobicContact CG-CB 4.12Å; E267-P272 HydrophobicContact CG-CG 3.9Å; E267-P272 WeakPolarHBondContact OE1-CB 3.43Å; E267-F275 HydrophobicContact CG-CE1 4.1Å; E267-F275 HydrophobicContact CG-CZ 3.84Å
268	A	94.8	Very high	97.2	Very high	77 Å²	77	33 Å²	33	64%	0.636	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.1	171.8	0	0	0	0	0	113.3	A264 N265 Y266	A264-A268 PolarHBondContact O-N 3.14Å; N265-A268 PolarHBondContact O-N 2.83Å; Y266-A268 PolarHBondContact O-N 3.39Å
269	L	93.3	Very high	97.1	Very high	68 Å²	68	36.9 Å²	36.9	36%	0.356	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-26.8	-176.9	-61	-175.7	0	0	0	113.8	I241 W246 Y266 E267	I241-L269 HydrophobicContact CD1-CD1 4.07Å; W246-L269 HydrophobicContact CZ2-CB 4.45Å; Y266-L269 PolarHBondContact O-N 3.2Å; E267-L269 PolarHBondContact O-N 3.34Å
270	V	96.1	Very high	97.1	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	25%	0.25	C	C	.	.	S	Bend	trans	-137.9	151.1	-175.6	-55.6	0	0	0	0	112.6	I153 L245 W246 Y250 Y266 E267 F275	I153-V270 HydrophobicContact CD1-CB 3.9Å; I153-V270 HydrophobicContact CD1-CG1 3.83Å; I153-V270 HydrophobicContact CG1-CG1 4.41Å; L245-V270 HydrophobicContact CD2-CG1 4.01Å; L245-V270 HydrophobicContact CD2-CG2 4.43Å; W246-V270 HydrophobicContact CH2-CG1 3.4Å; W246-V270 VanDerWaalsContact CH2-CG1 3.4Å; W246-V270 HydrophobicContact CZ2-CG1 3.99Å; W246-V270 HydrophobicContact CZ3-CG1 3.95Å; Y250-V270 HydrophobicContact CE2-CG1 4.01Å; Y250-V270 WeakPolarHBondContact OH-CB 3.43Å; Y266-V270 VanDerWaalsContact O-CG2 3.29Å; Y266-V270 WeakPolarHBondContact O-CG2 3.42Å; Y266-V270 PolarHBondContact O-N 2.71Å; E267-V270 WeakPolarHBondContact CA-O 3.25Å; V270-F275 HydrophobicContact CG2-CD1 3.59Å; V270-F275 HydrophobicContact CG2-CE1 3.7Å
271	P	96.1	Very high	97.1	Very high	41 Å²	41	41 Å²	41	27%	0.266	26%	0.256	S	S	.	.			trans	-54.9	136.7	178.2	-28.5	32.9	0	0	0	112.8	I153 G273 S274 W307	I153-P271 HydrophobicContact CD1-CG 4.18Å; P271-G273 PolarHBondContact O-N 2.95Å; P271-G273 VanDerWaalsContact O-N 3.08Å; P271-S274 VanDerWaalsContact O-CB 3.3Å; P271-S274 WeakPolarHBondContact O-CB 3.4Å; P271-S274 PolarHBondContact O-N 2.84Å; P271-S274 PolarHBondContact O-OG 3.03Å; P271-W307 HydrophobicContact CB-CB 4.22Å; P271-W307 HydrophobicContact CG-CB 3.79Å; P271-W307 HydrophobicContact CG-CG 4.23Å
272	P	95.3	Very high	97.2	Very high	70 Å²	70	49.3 Å²	49.3	46%	0.455	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-52.4	-33.6	179.1	-31.5	36.2	0	0	0	115.1	R263 E267 S274	R263-P272 PolarHBondContact NH2-O 2.89Å; E267-P272 HydrophobicContact CB-CG 4.36Å; E267-P272 HydrophobicContact CG-CB 4.12Å; E267-P272 HydrophobicContact CG-CG 3.9Å; E267-P272 WeakPolarHBondContact OE1-CB 3.43Å; P272-S274 VanDerWaalsContact C-N 3.3Å; P272-S274 PolarHBondContact O-N 2.68Å
273	G	96.2	Very high	97.2	Very high	46 Å²	46	48.2 Å²	48.2	47%	0.474	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-88.3	20.3	178.4	0	0	0	0	0	114.6	P271 Y304	P271-G273 PolarHBondContact O-N 2.95Å; P271-G273 VanDerWaalsContact O-N 3.08Å; G273-Y304 VanDerWaalsContact O-CA 3.3Å; G273-Y304 WeakPolarHBondContact O-CA 3.36Å; G273-Y304 WeakPolarHBondContact O-CD1 3.48Å
274	S	98.1	Very high	97.3	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-110	-1.8	-177.9	70.1	0	0	0	0	114.4	Y250 P256 P271 P272 W307	Y250-S274 WeakPolarHBondContact CE1-O 3.3Å; Y250-S274 PolarHBondContact OH-OG 2.78Å; P256-S274 WeakPolarHBondContact CD-O 3.44Å; P256-S274 WeakPolarHBondContact CG-O 3.34Å; P271-S274 VanDerWaalsContact O-CB 3.3Å; P271-S274 WeakPolarHBondContact O-CB 3.4Å; P271-S274 PolarHBondContact O-N 2.84Å; P271-S274 PolarHBondContact O-OG 3.03Å; P272-S274 VanDerWaalsContact C-N 3.3Å; P272-S274 PolarHBondContact O-N 2.68Å; S274-W307 VanDerWaalsContact CB-CD1 3.48Å
275	F	98.8	Very high	97.3	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.013	29%	0.288	C	S	.	.			trans	-153	163.1	-178.2	67.2	-85.9	0	0	0	111.4	P256 V258 R263 Y266 E267 V270 H277	P256-F275 HydrophobicContact CB-CB 4.47Å; P256-F275 HydrophobicContact CG-CB 3.77Å; V258-F275 HydrophobicContact CG1-CB 4.1Å; V258-F275 HydrophobicContact CG1-CD2 4.48Å; V258-F275 HydrophobicContact CG2-CD2 3.54Å; V258-F275 HydrophobicContact CG2-CE2 4.11Å; V258-F275 HydrophobicContact CG2-CG 4.39Å; R263-F275 HydrophobicContact CG-CE2 4.28Å; R263-F275 HydrophobicContact CG-CZ 4.23Å; Y266-F275 HydrophobicContact CG-CE2 4.17Å; Y266-F275 HydrophobicContact CG-CZ 4.26Å; E267-F275 HydrophobicContact CG-CE1 4.1Å; E267-F275 HydrophobicContact CG-CZ 3.84Å; V270-F275 HydrophobicContact CG2-CD1 3.59Å; V270-F275 HydrophobicContact CG2-CE1 3.7Å; F275-H277 HydrophobicContact CD2-CB 4.31Å; F275-H277 HydrophobicContact CE2-CB 3.99Å
276	I	98.9	Very high	97.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119	174.4	-60.7	163.2	0	0	0	107.2	F228 V255 P256 V257 V258 F281 L287 F290 L291 L294 Y304	F228-I276 HydrophobicContact CD1-CD1 4.04Å; F228-I276 HydrophobicContact CE1-CD1 3.79Å; V255-I276 HydrophobicContact CG1-CD1 3.69Å; V255-I276 HydrophobicContact CG1-CG1 4.04Å; P256-I276 PolarHBondContact O-N 3.06Å; V257-I276 CarbonylContact C-O 3.45Å; V257-I276 WeakPolarHBondContact CA-O 3.42Å; V257-I276 HydrophobicContact CG2-CB 4.41Å; V257-I276 HydrophobicContact CG2-CD1 4.36Å; V258-I276 PolarHBondContact N-O 3.34Å; I276-F281 HydrophobicContact CG2-CE2 3.63Å; I276-F281 HydrophobicContact CG2-CZ 4.08Å; I276-L287 HydrophobicContact CG2-CD1 3.95Å; I276-F290 HydrophobicContact CD1-CD1 4.44Å; I276-F290 HydrophobicContact CD1-CE1 3.8Å; I276-F290 HydrophobicContact CG1-CE1 4.04Å; I276-F290 HydrophobicContact CG2-CD1 4.44Å; I276-F290 HydrophobicContact CG2-CE1 4.18Å; I276-L291 HydrophobicContact CD1-CD2 3.64Å; I276-L294 HydrophobicContact CD1-CD2 3.76Å; I276-Y304 HydrophobicContact CD1-CE1 4.37Å; I276-Y304 HydrophobicContact CG1-CD1 4.49Å; I276-Y304 HydrophobicContact CG1-CE1 3.63Å
277	H	98.8	Very high	97.5	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.046	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134	179.2	-158.9	-86.7	0	0	0	109.9	V258 P261 Y266 F275 S279 D280	V258-H277 HydrophobicContact CG2-CB 4.23Å; V258-H277 VanDerWaalsContact CG2-CD2 3.46Å; V258-H277 WeakPolarHBondContact CG2-CD2 3.41Å; P261-H277 PolarHBondContact O-NE2 3.43Å; P261-H277 VanDerWaalsContact O-NE2 3.08Å; Y266-H277 AromaticContact CD2-CD2 3.74Å; Y266-H277 AromaticContact CD2-NE2 3.92Å; Y266-H277 AromaticContact CE2-CD2 3.9Å; Y266-H277 AromaticContact CE2-NE2 3.81Å; F275-H277 HydrophobicContact CD2-CB 4.31Å; F275-H277 HydrophobicContact CE2-CB 3.99Å; H277-S279 PolarHBondContact CE1-OG 2.84Å; H277-S279 VanDerWaalsContact CE1-OG 3.28Å; H277-S279 WeakPolarHBondContact ND1-CB 3.45Å; H277-S279 PolarHBondContact ND1-N 3.05Å; H277-S279 VanDerWaalsContact ND1-N 3.19Å; H277-S279 PolarHBondContact ND1-OG 3.37Å; H277-S279 PolarHBondContact O-N 3.33Å; H277-S279 VanDerWaalsContact O-N 3.15Å; H277-D280 WeakPolarHBondContact CB-OD2 3.29Å; H277-D280 PolarHBondContact N-OD2 3.16Å; H277-D280 WeakPolarHBondContact O-CB 2.96Å; H277-D280 VanDerWaalsContact O-CG 3.28Å; H277-D280 PolarHBondContact O-N 2.87Å
278	V	98.6	Very high	97.6	Very high	22 Å²	22	44.4 Å²	44.4	13%	0.133	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-60.9	-28.4	-179.4	-65.6	0	0	0	0	113	V193 F232 V257 V258 L259 D280 F281 L287	V193-V278 HydrophobicContact CG1-CG1 4.27Å; F232-V278 HydrophobicContact CE1-CG1 3.78Å; F232-V278 HydrophobicContact CZ-CG1 4.03Å; V257-V278 HydrophobicContact CG1-CG1 3.96Å; V258-V278 WeakPolarHBondContact O-CG1 3.37Å; V258-V278 PolarHBondContact O-N 2.69Å; V258-V278 VanDerWaalsContact O-N 3.14Å; L259-V278 HydrophobicContact CB-CG1 4.36Å; L259-V278 HydrophobicContact CB-CG2 3.88Å; L259-V278 HydrophobicContact CD1-CG2 3.55Å; L259-V278 HydrophobicContact CG-CG2 4.24Å; V278-D280 PolarHBondContact O-N 2.74Å; V278-F281 PolarHBondContact O-N 3.48Å; V278-L287 HydrophobicContact CB-CD2 4.47Å; V278-L287 HydrophobicContact CG1-CD2 3.96Å
279	S	97.5	Very high	97.8	Very high	82 Å²	82	43.8 Å²	43.8	57%	0.573	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-77.9	-2.3	177.5	78.3	0	0	0	0	114.3	H277 F281	H277-S279 PolarHBondContact CE1-OG 2.84Å; H277-S279 VanDerWaalsContact CE1-OG 3.28Å; H277-S279 WeakPolarHBondContact ND1-CB 3.45Å; H277-S279 PolarHBondContact ND1-N 3.05Å; H277-S279 VanDerWaalsContact ND1-N 3.19Å; H277-S279 PolarHBondContact ND1-OG 3.37Å; H277-S279 PolarHBondContact O-N 3.33Å; H277-S279 VanDerWaalsContact O-N 3.15Å; S279-F281 PolarHBondContact O-N 2.72Å
280	D	98.2	Very high	98	Very high	71 Å²	71	42.2 Å²	42.2	38%	0.38	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-71.9	-8.3	172.1	-58.4	-30	0	0	0	111.4	R263 H277 V278	R263-D280 WeakPolarHBondContact CD-OD1 3.47Å; R263-D280 IonicContact CZ-OD1 3.25Å; R263-D280 IonicContact CZ-OD2 2.58Å; R263-D280 IonicContact NE-OD1 3.31Å; R263-D280 IonicContact NH1-OD1 3.96Å; R263-D280 PolarHBondContact NH1-OD1 2.79Å; R263-D280 IonicContact NH1-OD2 3.91Å; R263-D280 PolarHBondContact NH1-OD2 2.87Å; H277-D280 WeakPolarHBondContact CB-OD2 3.29Å; H277-D280 PolarHBondContact N-OD2 3.16Å; H277-D280 WeakPolarHBondContact O-CB 2.96Å; H277-D280 VanDerWaalsContact O-CG 3.28Å; H277-D280 PolarHBondContact O-N 2.87Å; V278-D280 PolarHBondContact O-N 2.74Å
281	F	98.6	Very high	98.2	Very high	42 Å²	42	42 Å²	42	18%	0.184	26%	0.256	C	S	.	.	S	Bend	trans	-122.6	139.9	-173.9	-54.8	-86.8	0	0	0	111.1	I276 V278 S279 S283 L287 F290	I276-F281 HydrophobicContact CG2-CE2 3.63Å; I276-F281 HydrophobicContact CG2-CZ 4.08Å; V278-F281 PolarHBondContact O-N 3.48Å; S279-F281 PolarHBondContact O-N 2.72Å; F281-S283 PolarHBondContact O-N 3.23Å; F281-L287 HydrophobicContact CB-CB 4.15Å; F281-L287 HydrophobicContact CD1-CB 4.39Å; F281-L287 HydrophobicContact CD2-CB 3.88Å; F281-L287 HydrophobicContact CD2-CD1 3.67Å; F281-L287 HydrophobicContact CD2-CG 4.3Å; F281-L287 HydrophobicContact CE2-CB 4.45Å; F281-L287 HydrophobicContact CE2-CD1 3.46Å; F281-L287 VanDerWaalsContact CE2-CD1 3.46Å; F281-L287 HydrophobicContact CG-CB 3.85Å; F281-L287 HydrophobicContact CG-CD1 4.41Å; F281-L287 HydrophobicContact CZ-CD1 4.04Å; F281-F290 HydrophobicContact CD1-CB 4.29Å; F281-F290 HydrophobicContact CE1-CB 3.37Å; F281-F290 HydrophobicContact CE1-CD1 4.01Å; F281-F290 AromaticContact CE1-CD2 3.82Å; F281-F290 HydrophobicContact CE1-CD2 3.82Å; F281-F290 AromaticContact CE1-CG 3.47Å; F281-F290 HydrophobicContact CE1-CG 3.47Å; F281-F290 VanDerWaalsContact CE1-CG 3.47Å; F281-F290 HydrophobicContact CZ-CB 3.78Å; F281-F290 AromaticContact CZ-CD1 3.5Å; F281-F290 HydrophobicContact CZ-CD1 3.5Å; F281-F290 AromaticContact CZ-CD2 3.97Å; F281-F290 HydrophobicContact CZ-CD2 3.97Å; F281-F290 HydrophobicContact CZ-CE1 4.01Å; F281-F290 HydrophobicContact CZ-CE2 4.41Å; F281-F290 AromaticContact CZ-CG 3.47Å; F281-F290 HydrophobicContact CZ-CG 3.47Å; F281-F290 VanDerWaalsContact CZ-CG 3.47Å; F281-F290 HydrophobicContact CZ-CZ 4.42Å
282	N	97.8	Very high	98.3	Very high	179 Å²	179	44.3 Å²	44.3	96%	0.957	26%	0.264	S	S	*	.	S	Bend	trans	-69.1	-17.5	176.5	-67.1	-18.8	0	0	0	113.1
283	S	98.4	Very high	98.4	Very high	58 Å²	58	45.9 Å²	45.9	41%	0.406	27%	0.265	S	S	.	.	S	Bend	trans	-156.4	160.9	179.6	72.2	0	0	0	0	111.8	F281 E285 G286 L287	F281-S283 PolarHBondContact O-N 3.23Å; S283-E285 PolarHBondContact O-N 2.83Å; S283-E285 PolarHBondContact OG-N 3.19Å; S283-G286 PolarHBondContact O-N 3.38Å; S283-G286 PolarHBondContact OG-N 2.67Å; S283-L287 PolarHBondContact O-N 3.47Å
284	T	98.6	Very high	98.6	Very high	26 Å²	26	43.7 Å²	43.7	16%	0.16	24%	0.242	C	C	.	.	H	α-helix	trans	-66.8	-22.3	172.4	56	0	0	0	0	112.9	V193 S196 L197 A288	V193-T284 HydrophobicContact CG1-CG2 4.31Å; S196-T284 WeakPolarHBondContact CB-OG1 3.4Å; S196-T284 PolarHBondContact OG-OG1 2.9Å; L197-T284 HydrophobicContact CB-CG2 4.45Å; L197-T284 VanDerWaalsContact CD1-O 3.24Å; L197-T284 WeakPolarHBondContact CD1-O 3.38Å; T284-A288 VanDerWaalsContact O-CB 3.32Å; T284-A288 WeakPolarHBondContact O-CB 3.46Å; T284-A288 PolarHBondContact O-N 2.87Å
285	E	98.7	Very high	98.5	Very high	100 Å²	100	45.1 Å²	45.1	47%	0.467	25%	0.254	S	S	.	.	H	α-helix	trans	-68.3	-45.4	170.9	-177.1	171.3	-166.7	0	0	110.9	Y200 S283 L287 A288 V289	Y200-E285 HydrophobicContact CD1-CB 4.05Å; Y200-E285 HydrophobicContact CD1-CG 3.79Å; Y200-E285 HydrophobicContact CD2-CB 4.31Å; Y200-E285 HydrophobicContact CE1-CB 3.7Å; Y200-E285 HydrophobicContact CE1-CG 3.58Å; Y200-E285 HydrophobicContact CE2-CB 4Å; Y200-E285 HydrophobicContact CG-CB 4.33Å; Y200-E285 HydrophobicContact CG-CG 4.43Å; S283-E285 PolarHBondContact O-N 2.83Å; S283-E285 PolarHBondContact OG-N 3.19Å; E285-L287 VanDerWaalsContact C-N 3.32Å; E285-L287 PolarHBondContact O-N 3.17Å; E285-A288 WeakPolarHBondContact O-CB 3.49Å; E285-A288 PolarHBondContact O-N 3.11Å; E285-A288 VanDerWaalsContact O-N 3.12Å; E285-V289 WeakPolarHBondContact O-CG2 3.33Å; E285-V289 PolarHBondContact O-N 2.91Å
286	G	98.8	Very high	98.4	Very high	29 Å²	29	50.8 Å²	50.8	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-42.4	174.1	0	0	0	0	0	112.2	S283 F290	S283-G286 PolarHBondContact O-N 3.38Å; S283-G286 PolarHBondContact OG-N 2.67Å; G286-F290 WeakPolarHBondContact O-CB 3.25Å; G286-F290 PolarHBondContact O-N 2.92Å
287	L	98.9	Very high	98.4	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-46.7	171.8	173.8	60.6	0	0	0	111.6	L197 V257 I276 V278 F281 S283 E285 V289 F290 L291	L197-L287 HydrophobicContact CD1-CB 4.4Å; L197-L287 HydrophobicContact CD1-CD2 4.09Å; L197-L287 HydrophobicContact CD1-CG 4.1Å; L197-L287 HydrophobicContact CD2-CD2 4.09Å; V257-L287 HydrophobicContact CG1-CD1 4.19Å; V257-L287 HydrophobicContact CG1-CD2 4.12Å; I276-L287 HydrophobicContact CG2-CD1 3.95Å; V278-L287 HydrophobicContact CB-CD2 4.47Å; V278-L287 HydrophobicContact CG1-CD2 3.96Å; F281-L287 HydrophobicContact CB-CB 4.15Å; F281-L287 HydrophobicContact CD1-CB 4.39Å; F281-L287 HydrophobicContact CD2-CB 3.88Å; F281-L287 HydrophobicContact CD2-CD1 3.67Å; F281-L287 HydrophobicContact CD2-CG 4.3Å; F281-L287 HydrophobicContact CE2-CB 4.45Å; F281-L287 HydrophobicContact CE2-CD1 3.46Å; F281-L287 VanDerWaalsContact CE2-CD1 3.46Å; F281-L287 HydrophobicContact CG-CB 3.85Å; F281-L287 HydrophobicContact CG-CD1 4.41Å; F281-L287 HydrophobicContact CZ-CD1 4.04Å; S283-L287 PolarHBondContact O-N 3.47Å; E285-L287 VanDerWaalsContact C-N 3.32Å; E285-L287 PolarHBondContact O-N 3.17Å; L287-V289 PolarHBondContact O-N 3.39Å; L287-F290 WeakPolarHBondContact O-CB 3.19Å; L287-F290 PolarHBondContact O-N 3.23Å; L287-L291 HydrophobicContact CD1-CD1 4.04Å; L287-L291 HydrophobicContact CD1-CD2 4.27Å; L287-L291 HydrophobicContact CD1-CG 3.96Å; L287-L291 HydrophobicContact CG-CD1 4.12Å; L287-L291 HydrophobicContact CG-CG 4.4Å; L287-L291 VanDerWaalsContact O-CG 3.3Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3.1Å
288	A	98.9	Very high	98.2	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-58.7	-47.8	178.5	0	0	0	0	0	112.8	L197 Y200 I201 T284 E285 F290 L291 Q292	L197-A288 HydrophobicContact CD1-CB 3.88Å; Y200-A288 HydrophobicContact CG-CB 4.23Å; I201-A288 HydrophobicContact CG1-CB 4.26Å; I201-A288 HydrophobicContact CG2-CB 3.79Å; T284-A288 VanDerWaalsContact O-CB 3.32Å; T284-A288 WeakPolarHBondContact O-CB 3.46Å; T284-A288 PolarHBondContact O-N 2.87Å; E285-A288 WeakPolarHBondContact O-CB 3.49Å; E285-A288 PolarHBondContact O-N 3.11Å; E285-A288 VanDerWaalsContact O-N 3.12Å; A288-F290 VanDerWaalsContact C-N 3.3Å; A288-F290 PolarHBondContact O-N 3.03Å; A288-L291 PolarHBondContact O-N 3.2Å; A288-Q292 WeakPolarHBondContact O-CG 3.35Å; A288-Q292 PolarHBondContact O-N 2.8Å
289	V	98.8	Very high	98.1	Very high	63 Å²	63	63.6 Å²	63.6	38%	0.382	36%	0.355	S	S	.	.	H	α-helix	trans	-58.1	-45	176.3	170.1	0	0	0	0	110.4	E285 L287 L291 Q292 Q293	E285-V289 WeakPolarHBondContact O-CG2 3.33Å; E285-V289 PolarHBondContact O-N 2.91Å; L287-V289 PolarHBondContact O-N 3.39Å; V289-L291 PolarHBondContact O-N 2.82Å; V289-Q292 PolarHBondContact O-N 2.04Å; V289-Q293 HydrophobicContact CG1-CG 4.49Å; V289-Q293 WeakPolarHBondContact O-CG 3.5Å; V289-Q293 PolarHBondContact O-N 3.35Å
290	F	98.9	Very high	98.1	Very high	35 Å²	35	65 Å²	65	15%	0.154	35%	0.348	C	S	.	.	H	α-helix	trans	-60.6	-45.9	177.1	178.6	-92.9	0	0	0	112.6	I276 F281 G286 L287 A288 Q293 L294 Y304	I276-F290 HydrophobicContact CD1-CD1 4.44Å; I276-F290 HydrophobicContact CD1-CE1 3.8Å; I276-F290 HydrophobicContact CG1-CE1 4.04Å; I276-F290 HydrophobicContact CG2-CD1 4.44Å; I276-F290 HydrophobicContact CG2-CE1 4.18Å; F281-F290 HydrophobicContact CD1-CB 4.29Å; F281-F290 HydrophobicContact CE1-CB 3.37Å; F281-F290 HydrophobicContact CE1-CD1 4.01Å; F281-F290 AromaticContact CE1-CD2 3.82Å; F281-F290 HydrophobicContact CE1-CD2 3.82Å; F281-F290 AromaticContact CE1-CG 3.47Å; F281-F290 HydrophobicContact CE1-CG 3.47Å; F281-F290 VanDerWaalsContact CE1-CG 3.47Å; F281-F290 HydrophobicContact CZ-CB 3.78Å; F281-F290 AromaticContact CZ-CD1 3.5Å; F281-F290 HydrophobicContact CZ-CD1 3.5Å; F281-F290 AromaticContact CZ-CD2 3.97Å; F281-F290 HydrophobicContact CZ-CD2 3.97Å; F281-F290 HydrophobicContact CZ-CE1 4.01Å; F281-F290 HydrophobicContact CZ-CE2 4.41Å; F281-F290 AromaticContact CZ-CG 3.47Å; F281-F290 HydrophobicContact CZ-CG 3.47Å; F281-F290 VanDerWaalsContact CZ-CG 3.47Å; F281-F290 HydrophobicContact CZ-CZ 4.42Å; G286-F290 WeakPolarHBondContact O-CB 3.25Å; G286-F290 PolarHBondContact O-N 2.92Å; L287-F290 WeakPolarHBondContact O-CB 3.19Å; L287-F290 PolarHBondContact O-N 3.23Å; A288-F290 VanDerWaalsContact C-N 3.3Å; A288-F290 PolarHBondContact O-N 3.03Å; F290-Q293 PolarHBondContact O-N 2.61Å; F290-L294 HydrophobicContact CD1-CD2 4.5Å; F290-L294 HydrophobicContact CE1-CD2 3.72Å; F290-L294 HydrophobicContact CZ-CD2 4.18Å; F290-L294 WeakPolarHBondContact O-CB 3.46Å; F290-L294 PolarHBondContact O-N 3.38Å; F290-Y304 WeakPolarHBondContact CZ-OH 3.21Å
291	L	98.9	Very high	98.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-41.3	179.5	-65.9	178.3	0	0	0	111.8	I201 F228 V257 I276 L287 A288 V289 L294 A295	I201-L291 HydrophobicContact CD1-CD1 3.75Å; F228-L291 HydrophobicContact CD1-CD2 3.72Å; F228-L291 HydrophobicContact CD2-CB 4.13Å; F228-L291 HydrophobicContact CD2-CD2 3.95Å; F228-L291 HydrophobicContact CD2-CG 4.44Å; F228-L291 HydrophobicContact CE1-CD2 3.73Å; F228-L291 HydrophobicContact CE2-CB 3.85Å; F228-L291 HydrophobicContact CE2-CD2 3.94Å; F228-L291 HydrophobicContact CE2-CG 4.44Å; F228-L291 VanDerWaalsContact CE2-O 3.25Å; F228-L291 WeakPolarHBondContact CE2-O 3.33Å; F228-L291 HydrophobicContact CG-CD2 3.86Å; F228-L291 HydrophobicContact CZ-CB 4.35Å; F228-L291 HydrophobicContact CZ-CD2 3.84Å; V257-L291 HydrophobicContact CG2-CD1 4.15Å; V257-L291 HydrophobicContact CG2-CD2 3.78Å; I276-L291 HydrophobicContact CD1-CD2 3.64Å; L287-L291 HydrophobicContact CD1-CD1 4.04Å; L287-L291 HydrophobicContact CD1-CD2 4.27Å; L287-L291 HydrophobicContact CD1-CG 3.96Å; L287-L291 HydrophobicContact CG-CD1 4.12Å; L287-L291 HydrophobicContact CG-CG 4.4Å; L287-L291 VanDerWaalsContact O-CG 3.3Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3.1Å; A288-L291 PolarHBondContact O-N 3.2Å; V289-L291 PolarHBondContact O-N 2.82Å; L291-L294 PolarHBondContact O-N 2.96Å; L291-A295 WeakPolarHBondContact O-CB 3.49Å; L291-A295 PolarHBondContact O-N 3.22Å
292	Q	98.6	Very high	98	Very high	90 Å²	90	63.9 Å²	63.9	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-48.4	176.1	-73.8	174.7	-33.7	0	0	111.7	L176 I201 A288 V289 A295 T296	L176-Q292 HydrophobicContact CD2-CG 4.06Å; I201-Q292 HydrophobicContact CG2-CG 3.66Å; A288-Q292 WeakPolarHBondContact O-CG 3.35Å; A288-Q292 PolarHBondContact O-N 2.8Å; V289-Q292 PolarHBondContact O-N 2.04Å; Q292-A295 PolarHBondContact O-N 3.43Å; Q292-T296 PolarHBondContact O-N 2.84Å
293	Q	98.5	Very high	98	Very high	103 Å²	103	56.4 Å²	56.4	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-46	177.8	-71.1	175.1	-4.9	0	0	111.5	V289 F290 A295 T296 D297	V289-Q293 HydrophobicContact CG1-CG 4.49Å; V289-Q293 WeakPolarHBondContact O-CG 3.5Å; V289-Q293 PolarHBondContact O-N 3.35Å; F290-Q293 PolarHBondContact O-N 2.61Å; Q293-A295 VanDerWaalsContact C-N 3.33Å; Q293-A295 PolarHBondContact O-N 3.19Å; Q293-T296 PolarHBondContact O-N 2.93Å; Q293-T296 VanDerWaalsContact O-N 3.15Å; Q293-T296 PolarHBondContact O-OG1 2.98Å; Q293-D297 PolarHBondContact O-N 3.12Å; Q293-D297 VanDerWaalsContact O-N 3.11Å
294	L	98.5	Very high	98	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-37.4	-179.5	-178.1	61	0	0	0	112.2	F228 I276 F290 L291 T296 D297 R300 Y301 Y304	F228-L294 HydrophobicContact CE1-CD2 3.68Å; F228-L294 HydrophobicContact CE1-CG 4.26Å; F228-L294 HydrophobicContact CZ-CB 4.05Å; F228-L294 HydrophobicContact CZ-CD2 3.82Å; F228-L294 HydrophobicContact CZ-CG 3.95Å; I276-L294 HydrophobicContact CD1-CD2 3.76Å; F290-L294 HydrophobicContact CD1-CD2 4.5Å; F290-L294 HydrophobicContact CE1-CD2 3.72Å; F290-L294 HydrophobicContact CZ-CD2 4.18Å; F290-L294 WeakPolarHBondContact O-CB 3.46Å; F290-L294 PolarHBondContact O-N 3.38Å; L291-L294 PolarHBondContact O-N 2.96Å; L294-T296 PolarHBondContact O-N 3.1Å; L294-D297 PolarHBondContact O-N 3.01Å; L294-R300 HydrophobicContact CD1-CB 3.55Å; L294-Y301 HydrophobicContact CG-CD2 4.35Å; L294-Y304 HydrophobicContact CD1-CD2 4.36Å; L294-Y304 HydrophobicContact CD1-CE2 3.89Å; L294-Y304 HydrophobicContact CD2-CD2 4.09Å; L294-Y304 HydrophobicContact CD2-CE2 3.48Å; L294-Y304 VanDerWaalsContact CD2-CE2 3.48Å; L294-Y304 HydrophobicContact CG-CE2 4.33Å
295	A	97.7	Very high	97.9	Very high	31 Å²	31	55.2 Å²	55.2	26%	0.256	29%	0.29	S	S	.	.	H	α-helix	trans	-64.1	-25.1	176.5	0	0	0	0	0	113.6	L176 F228 L291 Q292 Q293	L176-A295 HydrophobicContact CD1-CB 3.48Å; L176-A295 VanDerWaalsContact CD1-CB 3.48Å; F228-A295 HydrophobicContact CE2-CB 4.06Å; L291-A295 WeakPolarHBondContact O-CB 3.49Å; L291-A295 PolarHBondContact O-N 3.22Å; Q292-A295 PolarHBondContact O-N 3.43Å; Q293-A295 VanDerWaalsContact C-N 3.33Å; Q293-A295 PolarHBondContact O-N 3.19Å
296	T	96.7	Very high	97.7	Very high	122 Å²	122	57 Å²	57	75%	0.748	30%	0.297	S	S	*	.	H	α-helix	trans	-93.4	-16.5	177.7	59.6	0	0	0	0	113.6	Q292 Q293 L294	Q292-T296 PolarHBondContact O-N 2.84Å; Q293-T296 PolarHBondContact O-N 2.93Å; Q293-T296 VanDerWaalsContact O-N 3.15Å; Q293-T296 PolarHBondContact O-OG1 2.98Å; L294-T296 PolarHBondContact O-N 3.1Å
297	D	97.8	Very high	97.5	Very high	63 Å²	63	56.6 Å²	56.6	34%	0.337	29%	0.286	S	S	.	.			trans	-98.5	95.4	177.4	-172.4	-34.8	0	0	0	110.5	Q293 L294 G299 R300 Y301	Q293-D297 PolarHBondContact O-N 3.12Å; Q293-D297 VanDerWaalsContact O-N 3.11Å; L294-D297 PolarHBondContact O-N 3.01Å; D297-G299 VanDerWaalsContact C-N 3.33Å; D297-G299 PolarHBondContact O-N 2.73Å; D297-G299 PolarHBondContact OD1-N 2.66Å; D297-G299 VanDerWaalsContact OD1-N 3.12Å; D297-R300 HydrophobicContact CB-CB 4.13Å; D297-R300 HydrophobicContact CB-CG 4.39Å; D297-R300 PolarHBondContact O-N 3.34Å; D297-R300 PolarHBondContact OD1-N 3.37Å; D297-R300 WeakPolarHBondContact OD2-CD 2.95Å; D297-R300 VanDerWaalsContact OD2-CG 3.31Å; D297-R300 WeakPolarHBondContact OD2-CG 3.49Å; D297-Y301 VanDerWaalsContact O-CB 3.3Å; D297-Y301 WeakPolarHBondContact O-CB 3.19Å; D297-Y301 PolarHBondContact O-N 3.2Å
298	R	95.3	Very high	97.3	Very high	186 Å²	186	57.9 Å²	57.9	70%	0.702	29%	0.291	S	S	*	.	H	α-helix	trans	-56.4	-44.2	-178.6	-177.1	175.4	177.2	156.6	4.5	112.6	Y301 E302	R298-Y301 PolarHBondContact O-N 3.2Å; R298-E302 HydrophobicContact CG-CG 4.17Å; R298-E302 IonicContact CZ-OE1 3.26Å; R298-E302 VanDerWaalsContact CZ-OE1 3.31Å; R298-E302 IonicContact NE-OE1 3.14Å; R298-E302 PolarHBondContact NE-OE1 3.2Å; R298-E302 IonicContact NE-OE2 3.88Å; R298-E302 IonicContact NH2-OE1 2.68Å; R298-E302 PolarHBondContact NH2-OE1 3.19Å; R298-E302 WeakPolarHBondContact O-CB 3.09Å; R298-E302 VanDerWaalsContact O-CG 3.23Å; R298-E302 WeakPolarHBondContact O-CG 3.31Å; R298-E302 PolarHBondContact O-N 2.88Å
299	G	96.5	Very high	96.8	Very high	52 Å²	52	64.6 Å²	64.6	54%	0.536	32%	0.322	S	S	.	.	H	α-helix	trans	-67.1	-42.9	-175.5	0	0	0	0	0	112.2	D297 G303	D297-G299 VanDerWaalsContact C-N 3.33Å; D297-G299 PolarHBondContact O-N 2.73Å; D297-G299 PolarHBondContact OD1-N 2.66Å; D297-G299 VanDerWaalsContact OD1-N 3.12Å; G299-G303 PolarHBondContact O-N 2.91Å; G299-G303 VanDerWaalsContact O-N 3.13Å
300	R	97.9	Very high	96.3	Very high	113 Å²	113	65.5 Å²	65.5	43%	0.426	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-41.9	175	-69.3	177.7	68	-164.4	-2.7	111.7	L294 D297 G303 Y304	L294-R300 HydrophobicContact CD1-CB 3.55Å; D297-R300 HydrophobicContact CB-CB 4.13Å; D297-R300 HydrophobicContact CB-CG 4.39Å; D297-R300 PolarHBondContact O-N 3.34Å; D297-R300 PolarHBondContact OD1-N 3.37Å; D297-R300 WeakPolarHBondContact OD2-CD 2.95Å; D297-R300 VanDerWaalsContact OD2-CG 3.31Å; D297-R300 WeakPolarHBondContact OD2-CG 3.49Å; R300-G303 WeakPolarHBondContact O-CA 3.03Å; R300-G303 PolarHBondContact O-N 2.71Å; R300-Y304 WeakPolarHBondContact O-CD2 3.48Å
301	Y	98.1	Very high	96	Very high	14 Å²	14	67 Å²	67	6%	0.055	34%	0.335	C	S	.	.	H	α-helix	trans	-62.8	-49.4	178.7	-178.1	-92.1	0	0	0	111.8	I169 K172 N227 F228 V255 L294 D297 R298 G303 Y304 F305	I169-Y301 HydrophobicContact CG2-CE1 4.22Å; K172-Y301 VanDerWaalsContact CE-OH 3.25Å; K172-Y301 WeakPolarHBondContact CE-OH 3.25Å; N227-Y301 HydrophobicContact CB-CE2 3.84Å; N227-Y301 PolarHBondContact O-OH 3.21Å; F228-Y301 HydrophobicContact CE1-CD2 4.33Å; F228-Y301 HydrophobicContact CE1-CE2 4.13Å; F228-Y301 HydrophobicContact CZ-CD2 4.3Å; F228-Y301 HydrophobicContact CZ-CE2 4.31Å; V255-Y301 HydrophobicContact CB-CE2 4.29Å; V255-Y301 HydrophobicContact CG2-CD2 4.11Å; V255-Y301 HydrophobicContact CG2-CE2 3.52Å; L294-Y301 HydrophobicContact CG-CD2 4.35Å; D297-Y301 VanDerWaalsContact O-CB 3.3Å; D297-Y301 WeakPolarHBondContact O-CB 3.19Å; D297-Y301 PolarHBondContact O-N 3.2Å; R298-Y301 PolarHBondContact O-N 3.2Å; Y301-G303 PolarHBondContact O-N 3.21Å; Y301-Y304 WeakPolarHBondContact O-CB 3.49Å; Y301-Y304 PolarHBondContact O-N 3.08Å; Y301-Y304 VanDerWaalsContact O-N 3.08Å; Y301-F305 HydrophobicContact CD1-CE2 4.14Å; Y301-F305 HydrophobicContact CE1-CD2 4.42Å; Y301-F305 AromaticContact CE1-CE2 3.53Å; Y301-F305 HydrophobicContact CE1-CE2 3.53Å; Y301-F305 HydrophobicContact CE1-CZ 4.24Å; Y301-F305 AromaticContact CZ-CE2 3.75Å
302	E	96.8	Very high	95.7	Very high	74 Å²	74	72.9 Å²	72.9	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-26.6	176.5	-69	-179.3	167.6	0	0	112	I169 R298 Y304 F305	I169-E302 HydrophobicContact CD1-CB 4.07Å; I169-E302 HydrophobicContact CD1-CG 3.71Å; R298-E302 HydrophobicContact CG-CG 4.17Å; R298-E302 IonicContact CZ-OE1 3.26Å; R298-E302 VanDerWaalsContact CZ-OE1 3.31Å; R298-E302 IonicContact NE-OE1 3.14Å; R298-E302 PolarHBondContact NE-OE1 3.2Å; R298-E302 IonicContact NE-OE2 3.88Å; R298-E302 IonicContact NH2-OE1 2.68Å; R298-E302 PolarHBondContact NH2-OE1 3.19Å; R298-E302 WeakPolarHBondContact O-CB 3.09Å; R298-E302 VanDerWaalsContact O-CG 3.23Å; R298-E302 WeakPolarHBondContact O-CG 3.31Å; R298-E302 PolarHBondContact O-N 2.88Å; E302-Y304 PolarHBondContact O-N 2.97Å; E302-F305 PolarHBondContact O-N 2.8Å
303	G	97.3	Very high	95.4	Very high	23 Å²	23	69.7 Å²	69.7	24%	0.237	34%	0.343	C	S	.	.	H	α-helix	trans	-50.7	-36.1	171.1	0	0	0	0	0	114.1	G299 R300 Y301 F305 K306	G299-G303 PolarHBondContact O-N 2.91Å; G299-G303 VanDerWaalsContact O-N 3.13Å; R300-G303 WeakPolarHBondContact O-CA 3.03Å; R300-G303 PolarHBondContact O-N 2.71Å; Y301-G303 PolarHBondContact O-N 3.21Å; G303-F305 PolarHBondContact O-N 2.89Å; G303-K306 PolarHBondContact O-N 3.38Å
304	Y	98.3	Very high	95.2	Very high	43 Å²	43	68 Å²	68	17%	0.169	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.1	180	-76.7	-92.4	0	0	0	114.5	V255 G273 I276 F290 L294 R300 Y301 E302 W307	V255-Y304 HydrophobicContact CG1-CD1 3.65Å; V255-Y304 HydrophobicContact CG1-CD2 4.46Å; V255-Y304 HydrophobicContact CG1-CE1 4.18Å; V255-Y304 HydrophobicContact CG1-CG 3.81Å; V255-Y304 HydrophobicContact CG2-CG 4.09Å; G273-Y304 VanDerWaalsContact O-CA 3.3Å; G273-Y304 WeakPolarHBondContact O-CA 3.36Å; G273-Y304 WeakPolarHBondContact O-CD1 3.48Å; I276-Y304 HydrophobicContact CD1-CE1 4.37Å; I276-Y304 HydrophobicContact CG1-CD1 4.49Å; I276-Y304 HydrophobicContact CG1-CE1 3.63Å; F290-Y304 WeakPolarHBondContact CZ-OH 3.21Å; L294-Y304 HydrophobicContact CD1-CD2 4.36Å; L294-Y304 HydrophobicContact CD1-CE2 3.89Å; L294-Y304 HydrophobicContact CD2-CD2 4.09Å; L294-Y304 HydrophobicContact CD2-CE2 3.48Å; L294-Y304 VanDerWaalsContact CD2-CE2 3.48Å; L294-Y304 HydrophobicContact CG-CE2 4.33Å; R300-Y304 WeakPolarHBondContact O-CD2 3.48Å; Y301-Y304 WeakPolarHBondContact O-CB 3.49Å; Y301-Y304 PolarHBondContact O-N 3.08Å; Y301-Y304 VanDerWaalsContact O-N 3.08Å; E302-Y304 PolarHBondContact O-N 2.97Å; Y304-W307 PolarHBondContact O-NE1 3Å
305	F	96.8	Very high	95	Very high	15 Å²	15	69.3 Å²	69.3	7%	0.066	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-1.4	-179.9	-60	-86.2	0	0	0	113	Y167 I169 G253 V255 Y301 E302 G303 W307 R308	Y167-F305 HydrophobicContact CD1-CB 4.33Å; Y167-F305 HydrophobicContact CD1-CD1 4.43Å; Y167-F305 HydrophobicContact CE1-CB 4.27Å; Y167-F305 AromaticContact CE1-CD1 3.59Å; Y167-F305 HydrophobicContact CE1-CD1 3.59Å; Y167-F305 HydrophobicContact CE1-CE1 4.32Å; Y167-F305 HydrophobicContact CE1-CG 4.2Å; I169-F305 HydrophobicContact CD1-CB 3.96Å; I169-F305 HydrophobicContact CD1-CD2 3.52Å; I169-F305 HydrophobicContact CD1-CE2 4.2Å; I169-F305 HydrophobicContact CD1-CG 3.82Å; I169-F305 HydrophobicContact CG1-CB 4.04Å; I169-F305 HydrophobicContact CG1-CD1 4.23Å; I169-F305 HydrophobicContact CG1-CD2 3.86Å; I169-F305 HydrophobicContact CG1-CE2 4.39Å; I169-F305 HydrophobicContact CG1-CG 3.76Å; I169-F305 HydrophobicContact CG2-CE2 4.37Å; I169-F305 HydrophobicContact CG2-CZ 4.49Å; G253-F305 WeakPolarHBondContact O-CE1 3.02Å; G253-F305 WeakPolarHBondContact O-CZ 2.99Å; V255-F305 HydrophobicContact CG2-CD2 4.46Å; V255-F305 HydrophobicContact CG2-CE2 3.44Å; V255-F305 VanDerWaalsContact CG2-CE2 3.44Å; V255-F305 HydrophobicContact CG2-CZ 3.54Å; Y301-F305 HydrophobicContact CD1-CE2 4.14Å; Y301-F305 HydrophobicContact CE1-CD2 4.42Å; Y301-F305 AromaticContact CE1-CE2 3.53Å; Y301-F305 HydrophobicContact CE1-CE2 3.53Å; Y301-F305 HydrophobicContact CE1-CZ 4.24Å; Y301-F305 AromaticContact CZ-CE2 3.75Å; E302-F305 PolarHBondContact O-N 2.8Å; G303-F305 PolarHBondContact O-N 2.89Å; F305-W307 PolarHBondContact O-N 2.79Å; F305-W307 VanDerWaalsContact O-N 3.13Å; F305-R308 WeakPolarHBondContact O-CB 3.39Å; F305-R308 PolarHBondContact O-N 2.02Å
306	K	94.8	Very high	94.8	Very high	138 Å²	138	68.7 Å²	68.7	60%	0.6	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-55	-35.2	-178	-75.5	-178.3	176.7	-178.6	0	113.5	G303 R308 Q309	G303-K306 PolarHBondContact O-N 3.38Å; K306-R308 PolarHBondContact O-N 3.06Å; K306-R308 VanDerWaalsContact O-N 3.12Å; K306-Q309 WeakPolarHBondContact O-CB 3.46Å; K306-Q309 VanDerWaalsContact O-CG 3.31Å; K306-Q309 WeakPolarHBondContact O-CG 3.22Å; K306-Q309 PolarHBondContact O-N 3.48Å; K306-Q309 VanDerWaalsContact O-N 3.09Å
307	W	94.6	Very high	94.5	Very high	20 Å²	20	67.5 Å²	67.5	8%	0.076	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-59.9	-22.9	177.4	66.4	-88.1	0	0	0	113.8	I153 Y250 P271 S274 Y304 F305 Q309 T310 H311 I313	I153-W307 HydrophobicContact CD1-CE3 4.18Å; I153-W307 HydrophobicContact CD1-CZ3 4Å; I153-W307 HydrophobicContact CG1-CZ3 4.28Å; Y250-W307 HydrophobicContact CD1-CH2 4.25Å; Y250-W307 AromaticContact CD1-CZ2 3.65Å; Y250-W307 HydrophobicContact CD1-CZ2 3.65Å; Y250-W307 HydrophobicContact CD2-CH2 4.03Å; Y250-W307 HydrophobicContact CD2-CZ2 4.22Å; Y250-W307 HydrophobicContact CE1-CH2 4.37Å; Y250-W307 AromaticContact CE1-CZ2 3.62Å; Y250-W307 HydrophobicContact CE1-CZ2 3.62Å; Y250-W307 HydrophobicContact CE2-CH2 4.18Å; Y250-W307 HydrophobicContact CE2-CZ2 4.22Å; Y250-W307 HydrophobicContact CG-CH2 4.08Å; Y250-W307 AromaticContact CG-CZ2 3.96Å; Y250-W307 HydrophobicContact CG-CZ2 3.96Å; Y250-W307 AromaticContact CZ-CZ2 3.94Å; P271-W307 HydrophobicContact CB-CB 4.22Å; P271-W307 HydrophobicContact CG-CB 3.79Å; P271-W307 HydrophobicContact CG-CG 4.23Å; S274-W307 VanDerWaalsContact CB-CD1 3.48Å; Y304-W307 PolarHBondContact O-NE1 3Å; F305-W307 PolarHBondContact O-N 2.79Å; F305-W307 VanDerWaalsContact O-N 3.13Å; W307-Q309 PolarHBondContact O-N 3.44Å; W307-T310 PolarHBondContact O-N 3.18Å; W307-T310 PolarHBondContact O-OG1 3.45Å; W307-H311 HydrophobicContact CE3-CB 4.25Å; W307-H311 PolarHBondContact O-N 3.34Å; W307-I313 HydrophobicContact CH2-CG2 3.6Å; W307-I313 HydrophobicContact CZ3-CG2 3.95Å
308	R	93.1	Very high	94.3	Very high	30 Å²	30	65.8 Å²	65.8	11%	0.113	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-70.1	-13	177.3	-68.5	-75.3	-175.2	145.6	3.1	114.2	Y167 Y250 F305 K306 T310 H311	Y167-R308 VanDerWaalsContact CB-CB 3.49Å; Y167-R308 HydrophobicContact CD1-CB 3.76Å; Y167-R308 HydrophobicContact CD1-CG 3.8Å; Y167-R308 HydrophobicContact CD2-CB 4.12Å; Y167-R308 HydrophobicContact CD2-CG 4.08Å; Y167-R308 HydrophobicContact CE1-CG 4.09Å; Y167-R308 HydrophobicContact CE2-CG 4.36Å; Y167-R308 HydrophobicContact CG-CB 3.51Å; Y167-R308 HydrophobicContact CG-CG 3.79Å; Y250-R308 VanDerWaalsContact CB-NH2 3.28Å; Y250-R308 PolarHBondContact O-NH2 3.43Å; F305-R308 WeakPolarHBondContact O-CB 3.39Å; F305-R308 PolarHBondContact O-N 2.02Å; K306-R308 PolarHBondContact O-N 3.06Å; K306-R308 VanDerWaalsContact O-N 3.12Å; R308-T310 VanDerWaalsContact C-N 3.3Å; R308-H311 WeakPolarHBondContact CA-O 3.3Å
309	Q	89.3	Confident	94.4	Very high	141 Å²	141	58.1 Å²	58.1	66%	0.659	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-70.9	-31.3	176.1	-63.3	175.2	7.2	0	0	111.6	K306 W307	K306-Q309 WeakPolarHBondContact O-CB 3.46Å; K306-Q309 VanDerWaalsContact O-CG 3.31Å; K306-Q309 WeakPolarHBondContact O-CG 3.22Å; K306-Q309 PolarHBondContact O-N 3.48Å; K306-Q309 VanDerWaalsContact O-N 3.09Å; W307-Q309 PolarHBondContact O-N 3.44Å
310	T	88.9	Confident	94.4	Very high	82 Å²	82	57.1 Å²	57.1	50%	0.503	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-17.2	-174.9	49	0	0	0	0	112.8	P155 V156 W307 R308	P155-T310 WeakPolarHBondContact CA-O 3.5Å; V156-T310 PolarHBondContact N-O 2.93Å; W307-T310 PolarHBondContact O-N 3.18Å; W307-T310 PolarHBondContact O-OG1 3.45Å; R308-T310 VanDerWaalsContact C-N 3.3Å
311	H	91.9	Very high	94.3	Very high	66 Å²	66	52.7 Å²	52.7	31%	0.306	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.1	-176.1	-54.6	78.4	0	0	0	113.3	I153 V154 W307 R308	I153-H311 HydrophobicContact CG2-CB 3.29Å; V154-H311 CarbonylContact O-C 3.36Å; V154-H311 VanDerWaalsContact O-CA 3.29Å; V154-H311 WeakPolarHBondContact O-CA 3.43Å; V154-H311 WeakPolarHBondContact O-CB 3.37Å; W307-H311 HydrophobicContact CE3-CB 4.25Å; W307-H311 PolarHBondContact O-N 3.34Å; R308-H311 WeakPolarHBondContact CA-O 3.3Å
312	R	92	Very high	94.2	Very high	125 Å²	125	52.4 Å²	52.4	47%	0.472	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	165.7	169.7	65.3	-176.6	178.5	102.9	-5.2	110	I153 V154 V156	I153-R312 WeakPolarHBondContact CA-O 3.41Å; V154-R312 HydrophobicContact CG2-CG 3.51Å; V154-R312 PolarHBondContact N-O 3.16Å; V154-R312 PolarHBondContact O-N 2.82Å; V156-R312 HydrophobicContact CG2-CB 4.42Å
313	I	93.9	Very high	94.2	Very high	22 Å²	22	49 Å²	49	11%	0.113	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	140	173.4	59.3	172.2	0	0	0	110	K152 W246 Y250 Q251 W307	K152-I313 WeakPolarHBondContact O-CA 3.33Å; W246-I313 HydrophobicContact CE3-CG2 4.26Å; W246-I313 HydrophobicContact CZ3-CG2 4.38Å; W246-I313 WeakPolarHBondContact O-CD1 3.24Å; Y250-I313 HydrophobicContact CD2-CG2 3.95Å; Y250-I313 HydrophobicContact CG-CG2 4.49Å; Q251-I313 HydrophobicContact CB-CD1 4.43Å; Q251-I313 HydrophobicContact CG-CD1 3.28Å; Q251-I313 HydrophobicContact CG-CG1 4.5Å; W307-I313 HydrophobicContact CH2-CG2 3.6Å; W307-I313 HydrophobicContact CZ3-CG2 3.95Å
314	K	94.1	Very high	94.2	Very high	69 Å²	69	48 Å²	48	30%	0.3	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.4	163	178.6	178.4	174.3	-177.9	0	107.1	G151 K152 V154 E321	G151-K314 CarbonylContact C-O 3.55Å; G151-K314 WeakPolarHBondContact CA-O 3.35Å; K152-K314 HydrophobicContact CG-CB 4.13Å; K152-K314 PolarHBondContact N-O 2.97Å; K152-K314 PolarHBondContact O-N 3.42Å; V154-K314 HydrophobicContact CG1-CB 4.15Å; V154-K314 HydrophobicContact CG2-CB 4.3Å; K314-E321 WeakPolarHBondContact CE-OE1 3.4Å; K314-E321 IonicContact NZ-OE1 3.54Å; K314-E321 PolarHBondContact NZ-OE1 3.48Å
315	M	94.1	Very high	94.1	Very high	27 Å²	27	47.1 Å²	47.1	13%	0.133	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	153.6	174.7	-64.6	-138.8	-56.1	0	0	110.5	W246 R247 T317	W246-M315 HydrophobicContact CB-CG 4.27Å; W246-M315 HydrophobicContact CB-SD 3.59Å; W246-M315 VanDerWaalsContact CB-SD 3.59Å; R247-M315 HydrophobicContact CB-CE 3.51Å; R247-M315 HydrophobicContact CB-SD 3.63Å; R247-M315 HydrophobicContact CG-CE 3.59Å; R247-M315 HydrophobicContact CG-SD 4.36Å; R247-M315 PolarHBondContact N-SD 3.26Å; M315-T317 HydrophobicContact CB-CG2 4.03Å; M315-T317 HydrophobicContact CE-CG2 3.47Å; M315-T317 VanDerWaalsContact CE-CG2 3.47Å
316	Y	92.6	Very high	94.1	Very high	18 Å²	18	46.4 Å²	46.4	7%	0.071	22%	0.218	C	C	.	.			trans	-103.7	75.2	174	-66.4	-77.6	0	0	0	109.1	M148 P149 Y150 K152 E321 R322	M148-Y316 HydrophobicContact SD-CD1 3.65Å; M148-Y316 HydrophobicContact SD-CD2 4.17Å; M148-Y316 HydrophobicContact SD-CE1 3.77Å; M148-Y316 HydrophobicContact SD-CE2 4.29Å; M148-Y316 HydrophobicContact SD-CG 3.82Å; P149-Y316 WeakPolarHBondContact O-CD2 3.35Å; Y150-Y316 PolarHBondContact O-N 2.95Å; Y150-Y316 VanDerWaalsContact O-N 3.12Å; K152-Y316 HydrophobicContact CD-CE2 4.16Å; K152-Y316 WeakPolarHBondContact CD-OH 3.49Å; K152-Y316 WeakPolarHBondContact CE-OH 3.47Å; K152-Y316 HydrophobicContact CG-CE2 4.13Å; K152-Y316 PolarHBondContact NZ-OH 3.47Å; Y316-E321 HydrophobicContact CD1-CG 4.3Å; Y316-R322 PolarHBondContact O-NE 3.2Å; Y316-R322 PolarHBondContact O-NH2 2.97Å
317	T	91.1	Very high	94.2	Very high	97 Å²	97	40.6 Å²	40.6	60%	0.595	19%	0.194	S	C	*	.			trans	-92.6	-18.5	-178.6	52.6	0	0	0	0	113.2	M315	M315-T317 HydrophobicContact CB-CG2 4.03Å; M315-T317 HydrophobicContact CE-CG2 3.47Å; M315-T317 VanDerWaalsContact CE-CG2 3.47Å
318	D	94.3	Very high	94.2	Very high	27 Å²	27	43.7 Å²	43.7	14%	0.144	22%	0.215	C	C	.	.			trans	-93.1	127.1	177.9	-159.5	-35.1	0	0	0	110.8	Y67 R320 E321 R322	Y67-D318 WeakPolarHBondContact OH-CB 3.31Å; Y67-D318 PolarHBondContact OH-OD2 3.11Å; D318-R320 VanDerWaalsContact C-N 3.27Å; D318-R320 PolarHBondContact O-N 2.88Å; D318-R320 VanDerWaalsContact OD1-CB 3.3Å; D318-R320 WeakPolarHBondContact OD1-CB 3.44Å; D318-R320 WeakPolarHBondContact OD1-CG 3.38Å; D318-R320 PolarHBondContact OD1-N 2.94Å; D318-R320 IonicContact OD1-NE 2.71Å; D318-R320 PolarHBondContact OD1-NE 3.27Å; D318-R320 VanDerWaalsContact OD1-NE 3.14Å; D318-R320 IonicContact OD2-CZ 3.4Å; D318-R320 IonicContact OD2-NE 2.61Å; D318-R320 PolarHBondContact OD2-NE 3.01Å; D318-R320 IonicContact OD2-NH2 2.73Å; D318-R320 PolarHBondContact OD2-NH2 3.36Å; D318-E321 HydrophobicContact CB-CB 4.25Å; D318-R322 WeakPolarHBondContact O-CG 3.24Å; D318-R322 PolarHBondContact O-N 3.14Å
319	W	95.4	Very high	94.4	Very high	25 Å²	25	43.5 Å²	43.5	10%	0.095	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-29.7	174.9	-76.9	111.6	0	0	0	112.4	W50 P51 F52 Y56 L116 L118 R322 L323	W50-W319 HydrophobicContact CZ3-CB 4Å; P51-W319 HydrophobicContact CB-CD2 4.03Å; P51-W319 HydrophobicContact CB-CH2 4.12Å; P51-W319 HydrophobicContact CB-CZ2 3.56Å; P51-W319 HydrophobicContact CG-CD2 3.73Å; P51-W319 HydrophobicContact CG-CE3 3.92Å; P51-W319 HydrophobicContact CG-CG 4.25Å; P51-W319 HydrophobicContact CG-CH2 4.13Å; P51-W319 HydrophobicContact CG-CZ2 3.96Å; P51-W319 HydrophobicContact CG-CZ3 4.13Å; F52-W319 HydrophobicContact CD2-CZ2 4.46Å; F52-W319 HydrophobicContact CE2-CZ2 4.02Å; Y56-W319 HydrophobicContact CE2-CB 4.38Å; Y56-W319 AromaticContact CE2-CD1 3.65Å; Y56-W319 HydrophobicContact CE2-CG 4.42Å; Y56-W319 AromaticContact CZ-CD1 3.97Å; L116-W319 HydrophobicContact CD2-CE3 4.43Å; L116-W319 HydrophobicContact CD2-CZ3 3.9Å; L118-W319 HydrophobicContact CD1-CH2 3.54Å; L118-W319 HydrophobicContact CD1-CZ2 4.4Å; L118-W319 HydrophobicContact CD1-CZ3 3.98Å; L118-W319 HydrophobicContact CG-CH2 4.27Å; W319-R322 HydrophobicContact CE3-CB 4.3Å; W319-R322 VanDerWaalsContact CE3-CD 3.46Å; W319-R322 HydrophobicContact CE3-CG 4.49Å; W319-R322 WeakPolarHBondContact O-CB 3.43Å; W319-R322 PolarHBondContact O-N 3Å; W319-L323 VanDerWaalsContact O-CG 3.25Å; W319-L323 WeakPolarHBondContact O-CG 3.27Å; W319-L323 PolarHBondContact O-N 3.16Å
320	R	96.8	Very high	94.7	Very high	31 Å²	31	39 Å²	39	12%	0.117	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-45.6	178.2	-58.1	172.6	-62.5	151.6	12.4	110.2	W50 Y56 S57 L58 V62 E66 Y67 L74 D318 R322 L323 C324	W50-R320 HydrophobicContact CH2-CG 4.31Å; Y56-R320 HydrophobicContact CD1-CG 4.44Å; Y56-R320 HydrophobicContact CG-CG 4.37Å; S57-R320 VanDerWaalsContact O-CD 3.25Å; S57-R320 WeakPolarHBondContact O-CD 3.42Å; L58-R320 HydrophobicContact CD2-CG 3.89Å; V62-R320 HydrophobicContact CG1-CB 4.02Å; E66-R320 IonicContact OE1-CZ 2.76Å; E66-R320 IonicContact OE1-NH1 3.67Å; E66-R320 PolarHBondContact OE1-NH1 3.1Å; E66-R320 IonicContact OE1-NH2 3.16Å; E66-R320 PolarHBondContact OE1-NH2 3.34Å; E66-R320 IonicContact OE2-CZ 3.4Å; E66-R320 IonicContact OE2-NH1 2.71Å; E66-R320 IonicContact OE2-NH2 3.37Å; E66-R320 PolarHBondContact OE2-NH2 3.27Å; Y67-R320 HydrophobicContact CE2-CB 3.91Å; L74-R320 HydrophobicContact CD1-CB 4.33Å; D318-R320 VanDerWaalsContact C-N 3.27Å; D318-R320 PolarHBondContact O-N 2.88Å; D318-R320 VanDerWaalsContact OD1-CB 3.3Å; D318-R320 WeakPolarHBondContact OD1-CB 3.44Å; D318-R320 WeakPolarHBondContact OD1-CG 3.38Å; D318-R320 PolarHBondContact OD1-N 2.94Å; D318-R320 IonicContact OD1-NE 2.71Å; D318-R320 PolarHBondContact OD1-NE 3.27Å; D318-R320 VanDerWaalsContact OD1-NE 3.14Å; D318-R320 IonicContact OD2-CZ 3.4Å; D318-R320 IonicContact OD2-NE 2.61Å; D318-R320 PolarHBondContact OD2-NE 3.01Å; D318-R320 IonicContact OD2-NH2 2.73Å; D318-R320 PolarHBondContact OD2-NH2 3.36Å; R320-R322 VanDerWaalsContact C-N 3.3Å; R320-R322 PolarHBondContact O-N 2.88Å; R320-L323 PolarHBondContact O-N 2.79Å; R320-L323 VanDerWaalsContact O-N 3.16Å; R320-C324 PolarHBondContact O-N 3.35Å; R320-C324 PolarHBondContact O-SG 2.86Å
321	E	96.1	Very high	94.8	Very high	19 Å²	19	41.9 Å²	41.9	9%	0.089	20%	0.202	C	C	.	.	H	α-helix	trans	-56.5	-45.3	173.4	-170	-179	-174.1	0	0	111.7	Y67 K314 Y316 D318 L323 C324 N325	Y67-E321 HydrophobicContact CD1-CB 3.97Å; Y67-E321 HydrophobicContact CD1-CG 3.78Å; Y67-E321 HydrophobicContact CD2-CB 4.46Å; Y67-E321 HydrophobicContact CE1-CB 3.5Å; Y67-E321 VanDerWaalsContact CE1-CB 3.5Å; Y67-E321 HydrophobicContact CE1-CG 3.79Å; Y67-E321 HydrophobicContact CE2-CB 4.02Å; Y67-E321 VanDerWaalsContact CE2-N 3.32Å; Y67-E321 HydrophobicContact CG-CB 4.43Å; Y67-E321 HydrophobicContact CG-CG 4.29Å; Y67-E321 PolarHBondContact OH-N 3.38Å; K314-E321 WeakPolarHBondContact CE-OE1 3.4Å; K314-E321 IonicContact NZ-OE1 3.54Å; K314-E321 PolarHBondContact NZ-OE1 3.48Å; Y316-E321 HydrophobicContact CD1-CG 4.3Å; D318-E321 HydrophobicContact CB-CB 4.25Å; E321-L323 VanDerWaalsContact C-N 3.33Å; E321-L323 PolarHBondContact O-N 2.81Å; E321-C324 PolarHBondContact O-N 3.4Å; E321-N325 PolarHBondContact O-N 2.83Å; E321-N325 VanDerWaalsContact O-N 3.11Å; E321-N325 PolarHBondContact O-ND2 2.8Å
322	R	95.9	Very high	95	Very high	9 Å²	9	45.7 Å²	45.7	3%	0.034	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-46.1	178.9	-67.6	175.7	174.2	-91.3	1.4	110.5	M138 M148 Y316 D318 W319 R320 N325	M138-R322 HydrophobicContact CE-CB 3.83Å; M138-R322 WeakPolarHBondContact CE-O 3.35Å; M148-R322 HydrophobicContact CG-CB 4.3Å; M148-R322 HydrophobicContact CG-CG 3.8Å; M148-R322 PolarHBondContact O-NH1 3.15Å; M148-R322 HydrophobicContact SD-CG 4.1Å; Y316-R322 PolarHBondContact O-NE 3.2Å; Y316-R322 PolarHBondContact O-NH2 2.97Å; D318-R322 WeakPolarHBondContact O-CG 3.24Å; D318-R322 PolarHBondContact O-N 3.14Å; W319-R322 HydrophobicContact CE3-CB 4.3Å; W319-R322 VanDerWaalsContact CE3-CD 3.46Å; W319-R322 HydrophobicContact CE3-CG 4.49Å; W319-R322 WeakPolarHBondContact O-CB 3.43Å; W319-R322 PolarHBondContact O-N 3Å; R320-R322 VanDerWaalsContact C-N 3.3Å; R320-R322 PolarHBondContact O-N 2.88Å; R322-N325 WeakPolarHBondContact O-CB 3.35Å; R322-N325 PolarHBondContact O-N 3.08Å
323	L	97.3	Very high	95.1	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-42.3	179.7	-65	166.3	0	0	0	112.3	L47 L74 V88 W319 R320 E321 N325 I326	L47-L323 HydrophobicContact CB-CD1 4.37Å; L47-L323 HydrophobicContact CD1-CD1 4.39Å; L47-L323 HydrophobicContact CD1-CD2 4.17Å; L47-L323 HydrophobicContact CD2-CD1 3.91Å; L47-L323 HydrophobicContact CG-CD1 4.46Å; L74-L323 HydrophobicContact CD1-CB 3.93Å; L74-L323 HydrophobicContact CD2-CB 3.9Å; V88-L323 HydrophobicContact CB-CD2 4.21Å; V88-L323 HydrophobicContact CG1-CD2 3.86Å; V88-L323 HydrophobicContact CG2-CD2 4.06Å; W319-L323 VanDerWaalsContact O-CG 3.25Å; W319-L323 WeakPolarHBondContact O-CG 3.27Å; W319-L323 PolarHBondContact O-N 3.16Å; R320-L323 PolarHBondContact O-N 2.79Å; R320-L323 VanDerWaalsContact O-N 3.16Å; E321-L323 VanDerWaalsContact C-N 3.33Å; E321-L323 PolarHBondContact O-N 2.81Å; L323-N325 PolarHBondContact O-N 2.8Å; L323-I326 HydrophobicContact CD2-CD1 4.13Å; L323-I326 WeakPolarHBondContact O-CB 3.32Å; L323-I326 WeakPolarHBondContact O-CD1 3.29Å; L323-I326 VanDerWaalsContact O-CG1 3.25Å; L323-I326 WeakPolarHBondContact O-CG1 3.35Å; L323-I326 PolarHBondContact O-N 2.78Å
324	C	97.1	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-31.2	176.1	-65.7	0	0	0	0	112.6	C63 Y67 I69 R320 E321 I326 C327	C63-C324 WeakPolarHBondContact CA-SG 3.3Å; C63-C324 HydrophobicContact CB-CB 3.85Å; C63-C324 WeakPolarHBondContact CB-SG 3.27Å; C63-C324 VanDerWaalsContact SG-CA 3.54Å; C63-C324 WeakPolarHBondContact SG-CB 3.44Å; C63-C324 CovalentContact SG-SG 2.04Å; C63-C324 PolarHBondContact SG-SG 3.41Å; Y67-C324 HydrophobicContact CD2-CB 4.24Å; I69-C324 HydrophobicContact CD1-CB 3.71Å; R320-C324 PolarHBondContact O-N 3.35Å; R320-C324 PolarHBondContact O-SG 2.86Å; E321-C324 PolarHBondContact O-N 3.4Å; C324-I326 PolarHBondContact O-N 2.91Å; C324-I326 VanDerWaalsContact O-N 3.1Å; C324-C327 WeakPolarHBondContact O-CB 3.49Å; C324-C327 PolarHBondContact O-N 2.68Å
325	N	95.7	Very high	95	Very high	26 Å²	26	40.5 Å²	40.5	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-16.5	174.1	-88	-88.8	0	0	0	113	M148 E321 R322 L323 C327 V328 N329	M148-N325 HydrophobicContact CE-CB 3.36Å; E321-N325 PolarHBondContact O-N 2.83Å; E321-N325 VanDerWaalsContact O-N 3.11Å; E321-N325 PolarHBondContact O-ND2 2.8Å; R322-N325 WeakPolarHBondContact O-CB 3.35Å; R322-N325 PolarHBondContact O-N 3.08Å; L323-N325 PolarHBondContact O-N 2.8Å; N325-C327 VanDerWaalsContact C-N 3.3Å; N325-C327 PolarHBondContact O-N 3.28Å; N325-V328 PolarHBondContact O-N 3.5Å; N325-N329 PolarHBondContact O-N 3.1Å; N325-N329 PolarHBondContact O-ND2 2.92Å
326	I	97.6	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-43.8	171.9	-61.6	165	0	0	0	110.4	I45 V86 V88 L114 M138 I146 L323 C324 V328 N329 Y330	I45-I326 HydrophobicContact CD1-CB 4.22Å; I45-I326 HydrophobicContact CD1-CG2 3.73Å; I45-I326 HydrophobicContact CG2-CD1 3.76Å; V86-I326 HydrophobicContact CB-CG2 4.5Å; V86-I326 HydrophobicContact CG1-CG2 4.28Å; V86-I326 HydrophobicContact CG2-CG2 4.17Å; V88-I326 HydrophobicContact CG2-CD1 3.43Å; V88-I326 VanDerWaalsContact CG2-CD1 3.43Å; L114-I326 HydrophobicContact CD1-CD1 3.92Å; L114-I326 HydrophobicContact CD1-CG1 4Å; L114-I326 HydrophobicContact CD1-CG2 4.43Å; M138-I326 HydrophobicContact SD-CD1 4.44Å; M138-I326 HydrophobicContact SD-CG1 4.23Å; I146-I326 HydrophobicContact CD1-CB 4.14Å; I146-I326 HydrophobicContact CD1-CG1 3.81Å; I146-I326 HydrophobicContact CD1-CG2 4.09Å; L323-I326 HydrophobicContact CD2-CD1 4.13Å; L323-I326 WeakPolarHBondContact O-CB 3.32Å; L323-I326 WeakPolarHBondContact O-CD1 3.29Å; L323-I326 VanDerWaalsContact O-CG1 3.25Å; L323-I326 WeakPolarHBondContact O-CG1 3.35Å; L323-I326 PolarHBondContact O-N 2.78Å; C324-I326 PolarHBondContact O-N 2.91Å; C324-I326 VanDerWaalsContact O-N 3.1Å; I326-V328 PolarHBondContact O-N 3.32Å; I326-N329 CarbonylContact O-C 3.58Å; I326-N329 PolarHBondContact O-N 2.82Å; I326-N329 VanDerWaalsContact O-N 3.16Å; I326-Y330 PolarHBondContact O-N 2.71Å
327	C	96.8	Very high	94.9	Very high	16 Å²	16	49.1 Å²	49.1	11%	0.108	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-41.1	178.6	-62.4	0	0	0	0	112.4	L43 I69 C72 C324 N325 N329 Y330	L43-C327 HydrophobicContact CD1-CB 4.1Å; I69-C327 HydrophobicContact CG2-CB 4.06Å; C72-C327 HydrophobicContact CB-CB 3.54Å; C72-C327 WeakPolarHBondContact CB-SG 3.36Å; C72-C327 WeakPolarHBondContact SG-CB 3.35Å; C72-C327 CovalentContact SG-SG 2.02Å; C72-C327 PolarHBondContact SG-SG 3.01Å; C324-C327 WeakPolarHBondContact O-CB 3.49Å; C324-C327 PolarHBondContact O-N 2.68Å; N325-C327 VanDerWaalsContact C-N 3.3Å; N325-C327 PolarHBondContact O-N 3.28Å; C327-N329 PolarHBondContact O-N 2.99Å; C327-Y330 WeakPolarHBondContact O-CB 3.35Å; C327-Y330 PolarHBondContact O-N 3.32Å
328	V	95.4	Very high	95.2	Very high	85 Å²	85	46.4 Å²	46.4	52%	0.515	24%	0.238	S	C	.	.	H	α-helix	trans	-57.6	-34.3	175.6	178.6	0	0	0	0	111.7	I69 N325 I326	I69-V328 HydrophobicContact CD1-CG2 3.57Å; I69-V328 HydrophobicContact CG1-CG2 3.76Å; I69-V328 HydrophobicContact CG2-CG2 3.98Å; N325-V328 PolarHBondContact O-N 3.5Å; I326-V328 PolarHBondContact O-N 3.32Å
329	N	95.5	Very high	95.4	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.139	24%	0.236	C	C	.	.	H	α-helix	trans	-97.1	-12.3	-176.6	-65.7	-73.1	0	0	0	113.1	I146 N325 I326 C327 Q331 R332 L333	I146-N329 HydrophobicContact CD1-CB 4.38Å; I146-N329 HydrophobicContact CG1-CB 4.18Å; N325-N329 PolarHBondContact O-N 3.1Å; N325-N329 PolarHBondContact O-ND2 2.92Å; I326-N329 CarbonylContact O-C 3.58Å; I326-N329 PolarHBondContact O-N 2.82Å; I326-N329 VanDerWaalsContact O-N 3.16Å; C327-N329 PolarHBondContact O-N 2.99Å; N329-Q331 PolarHBondContact O-N 2.87Å; N329-R332 HydrophobicContact CB-CG 4.43Å; N329-R332 WeakPolarHBondContact O-CG 3.32Å; N329-R332 PolarHBondContact O-N 3.33Å; N329-R332 VanDerWaalsContact O-N 3.08Å; N329-R332 PolarHBondContact OD1-NE 2.93Å; N329-R332 PolarHBondContact OD1-NH2 3.48Å; N329-L333 WeakPolarHBondContact O-CG 3.43Å; N329-L333 PolarHBondContact O-N 2.91Å
330	Y	95.5	Very high	95.5	Very high	47 Å²	47	53.5 Å²	53.5	18%	0.184	27%	0.265	C	S	.	.	H	α-helix	trans	-53.1	-48.4	-168.1	-174.9	-91.2	0	0	0	113.4	L43 V86 W136 I326 C327 R332 L333	L43-Y330 HydrophobicContact CD1-CD1 3.79Å; L43-Y330 HydrophobicContact CD1-CD2 4.02Å; L43-Y330 HydrophobicContact CD1-CE1 4.47Å; L43-Y330 HydrophobicContact CD1-CG 3.53Å; L43-Y330 HydrophobicContact CD2-CD1 3.83Å; L43-Y330 HydrophobicContact CD2-CD2 4.16Å; L43-Y330 HydrophobicContact CD2-CE1 3.66Å; L43-Y330 HydrophobicContact CD2-CE2 4Å; L43-Y330 HydrophobicContact CD2-CG 4.08Å; L43-Y330 HydrophobicContact CG-CD1 4.49Å; L43-Y330 HydrophobicContact CG-CG 4.48Å; V86-Y330 HydrophobicContact CG2-CD2 3.94Å; V86-Y330 HydrophobicContact CG2-CE2 3.74Å; W136-Y330 AromaticContact CH2-CD2 3.77Å; W136-Y330 HydrophobicContact CH2-CD2 3.77Å; W136-Y330 AromaticContact CH2-CE2 3.65Å; W136-Y330 HydrophobicContact CH2-CE2 3.65Å; W136-Y330 HydrophobicContact CZ3-CD2 4.03Å; W136-Y330 HydrophobicContact CZ3-CE2 4.11Å; I326-Y330 PolarHBondContact O-N 2.71Å; C327-Y330 WeakPolarHBondContact O-CB 3.35Å; C327-Y330 PolarHBondContact O-N 3.32Å; Y330-R332 PolarHBondContact O-N 3.47Å; Y330-L333 WeakPolarHBondContact O-CB 3.47Å; Y330-L333 PolarHBondContact O-N 3.3Å
331	Q	92.8	Very high	95.6	Very high	142 Å²	142	56.1 Å²	56.1	66%	0.664	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.9	-175.6	-62.1	-61	-21.6	0	0	113.9	N329	N329-Q331 PolarHBondContact O-N 2.87Å
332	R	94.3	Very high	95.6	Very high	145 Å²	145	55.2 Å²	55.2	55%	0.547	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.5	177.1	63.2	166.8	-169.5	86.5	0.8	113.2	D145 N329 Y330	D145-R332 PolarHBondContact O-NH1 2.91Å; D145-R332 PolarHBondContact O-NH2 2.83Å; N329-R332 HydrophobicContact CB-CG 4.43Å; N329-R332 WeakPolarHBondContact O-CG 3.32Å; N329-R332 PolarHBondContact O-N 3.33Å; N329-R332 VanDerWaalsContact O-N 3.08Å; N329-R332 PolarHBondContact OD1-NE 2.93Å; N329-R332 PolarHBondContact OD1-NH2 3.48Å; Y330-R332 PolarHBondContact O-N 3.47Å
333	L	95.5	Very high	95.6	Very high	15 Å²	15	57.3 Å²	57.3	8%	0.079	29%	0.287	C	S	.	.	S	Bend	trans	-82.4	141.7	-176.6	-68	174.2	0	0	0	111.3	W136 D145 I146 N329 Y330 G335	W136-L333 HydrophobicContact CD2-CB 4.23Å; W136-L333 HydrophobicContact CD2-CD1 3.72Å; W136-L333 HydrophobicContact CD2-CG 4.46Å; W136-L333 HydrophobicContact CE3-CD1 3.6Å; W136-L333 HydrophobicContact CG-CD1 4.34Å; W136-L333 HydrophobicContact CH2-CB 4.06Å; W136-L333 HydrophobicContact CH2-CD1 3.91Å; W136-L333 HydrophobicContact CZ2-CB 3.52Å; W136-L333 HydrophobicContact CZ2-CD1 4.07Å; W136-L333 HydrophobicContact CZ2-CG 4.43Å; W136-L333 HydrophobicContact CZ3-CD1 3.69Å; D145-L333 HydrophobicContact CB-CD2 3.72Å; I146-L333 HydrophobicContact CD1-CD1 3.87Å; I146-L333 HydrophobicContact CG1-CD1 4.02Å; I146-L333 HydrophobicContact CG1-CD2 4.24Å; N329-L333 WeakPolarHBondContact O-CG 3.43Å; N329-L333 PolarHBondContact O-N 2.91Å; Y330-L333 WeakPolarHBondContact O-CB 3.47Å; Y330-L333 PolarHBondContact O-N 3.3Å; L333-G335 PolarHBondContact O-N 3.3Å
334	P	93.4	Very high	95.6	Very high	55 Å²	55	59.4 Å²	59.4	36%	0.357	31%	0.305	S	S	.	.			trans	-68.7	127.3	-178.1	26.5	-33.2	0	0	0	111.1	W136 K337	W136-P334 PolarHBondContact NE1-O 2.89Å; P334-K337 HydrophobicContact CB-CB 3.92Å; P334-K337 HydrophobicContact CG-CB 3.58Å; P334-K337 HydrophobicContact CG-CD 3.48Å; P334-K337 VanDerWaalsContact CG-CD 3.48Å; P334-K337 HydrophobicContact CG-CG 4.17Å
335	G	91.1	Very high	95.5	Very high	38 Å²	38	60.4 Å²	60.4	39%	0.392	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-36	-179.5	0	0	0	0	0	114	R112 L333	R112-G335 PolarHBondContact NE-O 2.93Å; R112-G335 PolarHBondContact NH2-O 3.41Å; L333-G335 PolarHBondContact O-N 3.3Å
336	N	90	Very high	95.5	Very high	163 Å²	163	59.4 Å²	59.4	87%	0.872	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	21	-171.7	-62.9	-27	0	0	0	113.8
337	K	95.8	Very high	95.2	Very high	63 Å²	63	62.3 Å²	62.3	27%	0.274	32%	0.324	S	S	.	.			trans	-81.7	140.5	-178.2	-175.2	173.6	176.1	-177.6	0	111.6	N135 D145 P334 Y339	N135-K337 VanDerWaalsContact CA-O 3.3Å; N135-K337 WeakPolarHBondContact CA-O 3.4Å; N135-K337 VanDerWaalsContact CB-O 3.26Å; N135-K337 WeakPolarHBondContact CB-O 3.45Å; N135-K337 PolarHBondContact ND2-O 3.48Å; D145-K337 VanDerWaalsContact CG-NZ 3.35Å; D145-K337 IonicContact OD1-NZ 3.37Å; D145-K337 PolarHBondContact OD1-NZ 2.83Å; D145-K337 IonicContact OD2-NZ 3.14Å; D145-K337 PolarHBondContact OD2-NZ 3.33Å; P334-K337 HydrophobicContact CB-CB 3.92Å; P334-K337 HydrophobicContact CG-CB 3.58Å; P334-K337 HydrophobicContact CG-CD 3.48Å; P334-K337 VanDerWaalsContact CG-CD 3.48Å; P334-K337 HydrophobicContact CG-CG 4.17Å; K337-Y339 HydrophobicContact CD-CE2 4.33Å; K337-Y339 VanDerWaalsContact CE-CE2 3.45Å; K337-Y339 WeakPolarHBondContact CE-OH 3.41Å; K337-Y339 VanDerWaalsContact NZ-CZ 3.34Å; K337-Y339 PolarHBondContact NZ-OH 2.85Å
338	V	97.4	Very high	94.7	Very high	40 Å²	40	69 Å²	69	24%	0.242	35%	0.347	C	S	.	.			trans	-139.9	134.8	170.1	178.2	0	0	0	0	108.2	G132 F134 Y340	G132-V338 WeakPolarHBondContact O-CG1 3.49Å; F134-V338 WeakPolarHBondContact O-CA 3.43Å; V338-Y340 HydrophobicContact CB-CE2 4.1Å; V338-Y340 HydrophobicContact CG1-CD1 4.28Å; V338-Y340 HydrophobicContact CG1-CE1 4.08Å; V338-Y340 HydrophobicContact CG1-CE2 4.42Å; V338-Y340 PolarHBondContact O-N 3.09Å
339	Y	97.9	Very high	94.6	Very high	22 Å²	22	68.2 Å²	68.2	9%	0.086	34%	0.338	C	S	.	.			trans	-84	93.2	170.6	-74.8	-89.3	0	0	0	109.9	G132 F134 N135 T137 D145 K337 D341 L342 W345	G132-Y339 PolarHBondContact N-O 3.37Å; F134-Y339 PolarHBondContact O-N 2.9Å; N135-Y339 WeakPolarHBondContact O-CD2 3.47Å; N135-Y339 WeakPolarHBondContact O-CE2 3.35Å; T137-Y339 HydrophobicContact CG2-CD2 4.03Å; T137-Y339 HydrophobicContact CG2-CE1 4.2Å; T137-Y339 HydrophobicContact CG2-CE2 3.56Å; T137-Y339 HydrophobicContact CG2-CG 4.49Å; T137-Y339 PolarHBondContact OG1-OH 2.82Å; T137-Y339 VanDerWaalsContact OG1-OH 3.1Å; D145-Y339 WeakPolarHBondContact OD2-CE2 3.26Å; D145-Y339 VanDerWaalsContact OD2-CZ 3.28Å; D145-Y339 PolarHBondContact OD2-OH 2.85Å; K337-Y339 HydrophobicContact CD-CE2 4.33Å; K337-Y339 VanDerWaalsContact CE-CE2 3.45Å; K337-Y339 WeakPolarHBondContact CE-OH 3.41Å; K337-Y339 VanDerWaalsContact NZ-CZ 3.34Å; K337-Y339 PolarHBondContact NZ-OH 2.85Å; Y339-D341 PolarHBondContact O-N 3.48Å; Y339-L342 HydrophobicContact CG-CD1 4.36Å; Y339-W345 HydrophobicContact CD1-CB 4.02Å; Y339-W345 HydrophobicContact CD1-CG 4.01Å; Y339-W345 HydrophobicContact CE1-CB 4.03Å; Y339-W345 AromaticContact CE1-CD1 3.47Å; Y339-W345 VanDerWaalsContact CE1-CD1 3.47Å; Y339-W345 HydrophobicContact CE1-CD2 4Å; Y339-W345 AromaticContact CE1-CG 3.54Å; Y339-W345 HydrophobicContact CE1-CG 3.54Å; Y339-W345 AromaticContact CE1-NE1 3.89Å
340	Y	98.1	Very high	94.6	Very high	179 Å²	179	70.4 Å²	70.4	70%	0.702	35%	0.349	S	S	*	.	S	Bend	trans	-70.4	-20.7	173.2	-65.7	-72.1	0	0	0	113.2	N131 V338	N131-Y340 WeakPolarHBondContact CB-O 3.35Å; N131-Y340 PolarHBondContact ND2-O 3.17Å; V338-Y340 HydrophobicContact CB-CE2 4.1Å; V338-Y340 HydrophobicContact CG1-CD1 4.28Å; V338-Y340 HydrophobicContact CG1-CE1 4.08Å; V338-Y340 HydrophobicContact CG1-CE2 4.42Å; V338-Y340 PolarHBondContact O-N 3.09Å
341	D	97.7	Very high	94.5	Very high	85 Å²	85	71.7 Å²	71.7	46%	0.455	36%	0.358	S	S	.	.			trans	-133.4	81.2	173.8	-163.7	-14.8	0	0	0	109.5	Y339 E343 A344 W345	Y339-D341 PolarHBondContact O-N 3.48Å; D341-E343 VanDerWaalsContact C-N 3.35Å; D341-A344 HydrophobicContact CB-CB 4.1Å; D341-A344 VanDerWaalsContact OD1-CB 3.28Å; D341-A344 WeakPolarHBondContact OD1-CB 3.37Å; D341-A344 PolarHBondContact OD1-N 3.39Å; D341-A344 VanDerWaalsContact OD2-CB 3.23Å; D341-A344 WeakPolarHBondContact OD2-CB 3.46Å; D341-W345 PolarHBondContact O-N 3.04Å
342	L	97.5	Very high	94.6	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-71.5	-35.1	179.6	-176.8	64.2	0	0	0	110.9	W115 L127 N131 F134 T137 Y339 W345 A346	W115-L342 HydrophobicContact CD2-CD1 4.4Å; W115-L342 HydrophobicContact CD2-CD2 4.28Å; W115-L342 HydrophobicContact CG-CD2 3.97Å; L127-L342 HydrophobicContact CB-CD2 4.43Å; L127-L342 HydrophobicContact CB-CG 4.4Å; L127-L342 HydrophobicContact CD1-CD2 4.43Å; L127-L342 HydrophobicContact CD1-CG 4.1Å; N131-L342 PolarHBondContact OD1-N 3.22Å; F134-L342 HydrophobicContact CD2-CD2 3.78Å; F134-L342 HydrophobicContact CE2-CD2 4.26Å; T137-L342 HydrophobicContact CG2-CD1 3.93Å; Y339-L342 HydrophobicContact CG-CD1 4.36Å; L342-W345 HydrophobicContact CD1-CE3 3.9Å; L342-W345 HydrophobicContact CD1-CZ3 4.43Å; L342-W345 PolarHBondContact O-N 2.98Å; L342-A346 VanDerWaalsContact O-CB 3.31Å; L342-A346 WeakPolarHBondContact O-CB 3.5Å; L342-A346 PolarHBondContact O-N 3.15Å
343	E	96.4	Very high	94.6	Very high	53 Å²	53	62.7 Å²	62.7	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-58.5	-51.6	175.4	-178.1	70.2	-172.5	0	0	110.7	L127 T128 D341 W345 A346 S347	L127-E343 WeakPolarHBondContact CA-OE2 3.42Å; L127-E343 HydrophobicContact CB-CB 4.2Å; L127-E343 WeakPolarHBondContact CB-OE2 3.17Å; L127-E343 WeakPolarHBondContact CG-OE2 3.43Å; L127-E343 PolarHBondContact N-OE2 3.45Å; T128-E343 HydrophobicContact CG2-CB 4.05Å; T128-E343 HydrophobicContact CG2-CG 4.19Å; D341-E343 VanDerWaalsContact C-N 3.35Å; E343-W345 VanDerWaalsContact C-N 3.3Å; E343-W345 PolarHBondContact O-N 3.09Å; E343-A346 PolarHBondContact O-N 3.05Å; E343-S347 WeakPolarHBondContact O-CB 3.45Å; E343-S347 PolarHBondContact O-N 3.3Å; E343-S347 PolarHBondContact O-OG 3.02Å
344	A	96.4	Very high	94.6	Very high	48 Å²	48	65.9 Å²	65.9	40%	0.397	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-37	179.1	0	0	0	0	0	112	D341 R348	D341-A344 HydrophobicContact CB-CB 4.1Å; D341-A344 VanDerWaalsContact OD1-CB 3.28Å; D341-A344 WeakPolarHBondContact OD1-CB 3.37Å; D341-A344 PolarHBondContact OD1-N 3.39Å; D341-A344 VanDerWaalsContact OD2-CB 3.23Å; D341-A344 WeakPolarHBondContact OD2-CB 3.46Å; A344-R348 WeakPolarHBondContact O-CG 3.27Å
345	W	95.8	Very high	94.7	Very high	20 Å²	20	66.6 Å²	66.6	8%	0.076	34%	0.343	C	S	.	.	H	α-helix	trans	-66.7	-45.8	176.3	172.4	87.7	0	0	0	112	W115 T137 R141 A144 Y339 D341 L342 E343 S347 R348	W115-W345 HydrophobicContact CE3-CH2 4.35Å; W115-W345 AromaticContact CE3-CZ3 3.82Å; W115-W345 HydrophobicContact CE3-CZ3 3.82Å; W115-W345 HydrophobicContact CH2-CZ3 4.11Å; W115-W345 HydrophobicContact CZ3-CE3 4.46Å; W115-W345 AromaticContact CZ3-CH2 3.92Å; W115-W345 HydrophobicContact CZ3-CH2 3.92Å; W115-W345 AromaticContact CZ3-CZ3 3.37Å; W115-W345 HydrophobicContact CZ3-CZ3 3.37Å; T137-W345 HydrophobicContact CG2-CD2 3.98Å; T137-W345 HydrophobicContact CG2-CE3 3.7Å; T137-W345 HydrophobicContact CG2-CH2 3.61Å; T137-W345 HydrophobicContact CG2-CZ2 3.85Å; T137-W345 HydrophobicContact CG2-CZ3 3.52Å; T137-W345 WeakPolarHBondContact OG1-CH2 3.3Å; T137-W345 WeakPolarHBondContact OG1-CZ2 3.48Å; R141-W345 PolarHBondContact NH1-O 2.92Å; A144-W345 HydrophobicContact CB-CH2 4.46Å; A144-W345 HydrophobicContact CB-CZ2 3.97Å; Y339-W345 HydrophobicContact CD1-CB 4.02Å; Y339-W345 HydrophobicContact CD1-CG 4.01Å; Y339-W345 HydrophobicContact CE1-CB 4.03Å; Y339-W345 AromaticContact CE1-CD1 3.47Å; Y339-W345 VanDerWaalsContact CE1-CD1 3.47Å; Y339-W345 HydrophobicContact CE1-CD2 4Å; Y339-W345 AromaticContact CE1-CG 3.54Å; Y339-W345 HydrophobicContact CE1-CG 3.54Å; Y339-W345 AromaticContact CE1-NE1 3.89Å; D341-W345 PolarHBondContact O-N 3.04Å; L342-W345 HydrophobicContact CD1-CE3 3.9Å; L342-W345 HydrophobicContact CD1-CZ3 4.43Å; L342-W345 PolarHBondContact O-N 2.98Å; E343-W345 VanDerWaalsContact C-N 3.3Å; E343-W345 PolarHBondContact O-N 3.09Å; W345-S347 VanDerWaalsContact C-N 3.33Å; W345-S347 PolarHBondContact O-N 2.9Å; W345-R348 VanDerWaalsContact NE1-NH2 3.19Å; W345-R348 PolarHBondContact O-NE 2.98Å
346	A	94.4	Very high	95	Very high	5 Å²	5	68.8 Å²	68.8	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-75.2	-21.8	-174.9	0	0	0	0	0	113.2	W115 P121 L127 L342 E343	W115-A346 HydrophobicContact CH2-CB 4.26Å; P121-A346 WeakPolarHBondContact CG-O 3.26Å; L127-A346 HydrophobicContact CD1-CB 3.33Å; L342-A346 VanDerWaalsContact O-CB 3.31Å; L342-A346 WeakPolarHBondContact O-CB 3.5Å; L342-A346 PolarHBondContact O-N 3.15Å; E343-A346 PolarHBondContact O-N 3.05Å
347	S	91.9	Very high	95.4	Very high	61 Å²	61	61 Å²	61	43%	0.427	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.5	-175.5	-60.1	0	0	0	0	115.3	E343 W345	E343-S347 WeakPolarHBondContact O-CB 3.45Å; E343-S347 PolarHBondContact O-N 3.3Å; E343-S347 PolarHBondContact O-OG 3.02Å; W345-S347 VanDerWaalsContact C-N 3.33Å; W345-S347 PolarHBondContact O-N 2.9Å
348	R	85.1	Confident	95.3	Very high	156 Å²	156	60.8 Å²	60.8	59%	0.589	30%	0.297	S	S	*	.			trans	-74.6	0	-178.1	-57.4	177.4	-66.7	167.6	10.9	113.8	R141 D143 A344 W345	R141-R348 PolarHBondContact NH1-O 3.41Å; D143-R348 IonicContact OD2-CZ 3.56Å; D143-R348 IonicContact OD2-NH1 3.2Å; D143-R348 IonicContact OD2-NH2 3.99Å; D143-R348 PolarHBondContact OD2-NH2 3.48Å; A344-R348 WeakPolarHBondContact O-CG 3.27Å; W345-R348 VanDerWaalsContact NE1-NH2 3.19Å; W345-R348 PolarHBondContact O-NE 2.98Å

Retrieved 348 of 348 residues in 990.1 ms (Link to these results)

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