A0A077Z9M9_TRITR Loading...

Heparan sulfate glucosamine 3 O sulfotransferase

AlphaFold DB , UniProt , Accession A0A077Z9M9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 301 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	48.4	Very low	64.3	Low	229 Å²	229	132.9 Å²	132.9	100%	1.128	67%	0.67	S	S	*	*				0	0.7	0	-77.8	169.3	79.2	0	0	115.1
2	Y	52.4	Low	65.2	Low	216 Å²	216	129.8 Å²	129.8	85%	0.847	66%	0.657	S	S	*	*			trans	-87.3	-18.4	-176	-83.5	-84.3	0	0	0	116.5
3	F	52.9	Low	66.1	Low	192 Å²	192	132.8 Å²	132.8	84%	0.842	66%	0.655	S	S	*	*	H	α-helix	trans	-77.5	-29.7	-175.6	-80	-83.5	0	0	0	114.8	S5	F3-S5 PolarHBondContact O-N 3.04Å
4	A	56.7	Low	67	Low	74 Å²	74	131.7 Å²	131.7	61%	0.612	65%	0.653	S	S	*	*	H	α-helix	trans	-70.3	-30.7	-178.3	0	0	0	0	0	113.2	V8	A4-V8 WeakPolarHBondContact O-CG2 3.23Å; A4-V8 PolarHBondContact O-N 2.71Å
5	S	67.3	Low	67.8	Low	87 Å²	87	129.6 Å²	129.6	61%	0.608	64%	0.644	S	S	*	*	H	α-helix	trans	-73.6	-36.8	-176.9	-161.8	0	0	0	0	112.5	F3 Y9	F3-S5 PolarHBondContact O-N 3.04Å; S5-Y9 WeakPolarHBondContact O-CB 3.24Å; S5-Y9 PolarHBondContact O-N 3.41Å; S5-Y9 VanDerWaalsContact O-N 3.1Å
6	L	69.5	Low	68.3	Low	112 Å²	112	131.6 Å²	131.6	59%	0.586	65%	0.648	S	S	*	*	H	α-helix	trans	-68.8	-38	-179.8	-158.9	76.6	0	0	0	112	Y9 L10	L6-Y9 PolarHBondContact O-N 2.93Å; L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.99Å; L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 PolarHBondContact O-N 3.11Å
7	H	70.1	Confident	69	Low	137 Å²	137	128.1 Å²	128.1	63%	0.634	64%	0.638	S	S	*	*	H	α-helix	trans	-68	-39	-179	-139	-72.9	0	0	0	112.2	T11	H7-T11 WeakPolarHBondContact O-CB 3.32Å; H7-T11 VanDerWaalsContact O-CG2 3.32Å; H7-T11 WeakPolarHBondContact O-CG2 3.42Å; H7-T11 PolarHBondContact O-N 2.68Å; H7-T11 PolarHBondContact O-OG1 3.49Å
8	V	72.1	Confident	69.7	Low	86 Å²	86	125.7 Å²	125.7	52%	0.521	63%	0.627	S	S	.	*	H	α-helix	trans	-68.1	-37.8	173.8	176.6	0	0	0	0	111	A4 T11 N12	A4-V8 WeakPolarHBondContact O-CG2 3.23Å; A4-V8 PolarHBondContact O-N 2.71Å; V8-T11 WeakPolarHBondContact CA-OG1 3.4Å; V8-T11 PolarHBondContact O-OG1 3.28Å; V8-N12 WeakPolarHBondContact O-CB 3.26Å; V8-N12 PolarHBondContact O-N 2.9Å; V8-N12 VanDerWaalsContact O-N 3.08Å; V8-N12 PolarHBondContact O-ND2 2.88Å
9	Y	69.6	Low	70.1	Confident	150 Å²	150	124.1 Å²	124.1	59%	0.588	62%	0.621	S	S	*	*	H	α-helix	trans	-68.2	-43	178.9	-155.7	-91.3	0	0	0	112.5	S5 L6 R13	S5-Y9 WeakPolarHBondContact O-CB 3.24Å; S5-Y9 PolarHBondContact O-N 3.41Å; S5-Y9 VanDerWaalsContact O-N 3.1Å; L6-Y9 PolarHBondContact O-N 2.93Å; Y9-R13 PolarHBondContact O-N 3.29Å; Y9-R13 VanDerWaalsContact O-N 3.13Å
10	L	72.9	Confident	70.5	Confident	105 Å²	105	120.7 Å²	120.7	55%	0.55	61%	0.613	S	S	.	*	H	α-helix	trans	-66.6	-43.6	176.9	-82.1	156.4	0	0	0	112.1	L6 R13 L14	L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 HydrophobicContact CG-CD1 3.99Å; L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 PolarHBondContact O-N 3.11Å; L10-R13 PolarHBondContact O-N 3.35Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 PolarHBondContact O-N 2.8Å
11	T	75.5	Confident	70.7	Confident	74 Å²	74	120.1 Å²	120.1	45%	0.454	61%	0.61	S	S	.	*	H	α-helix	trans	-64.3	-41.6	178.2	44.8	0	0	0	0	112.2	H7 V8 L14 L15	H7-T11 WeakPolarHBondContact O-CB 3.32Å; H7-T11 VanDerWaalsContact O-CG2 3.32Å; H7-T11 WeakPolarHBondContact O-CG2 3.42Å; H7-T11 PolarHBondContact O-N 2.68Å; H7-T11 PolarHBondContact O-OG1 3.49Å; V8-T11 WeakPolarHBondContact CA-OG1 3.4Å; V8-T11 PolarHBondContact O-OG1 3.28Å; T11-L14 PolarHBondContact O-N 2.8Å; T11-L15 WeakPolarHBondContact O-CB 3.32Å; T11-L15 PolarHBondContact O-N 3.44Å
12	N	74.8	Confident	71.9	Confident	96 Å²	96	112.5 Å²	112.5	51%	0.513	58%	0.577	S	S	.	*	H	α-helix	trans	-64	-41	175.2	-85.9	-32.7	0	0	0	112.7	V8 L15 F16	V8-N12 WeakPolarHBondContact O-CB 3.26Å; V8-N12 PolarHBondContact O-N 2.9Å; V8-N12 VanDerWaalsContact O-N 3.08Å; V8-N12 PolarHBondContact O-ND2 2.88Å; N12-L15 PolarHBondContact O-N 3.49Å; N12-F16 WeakPolarHBondContact O-CB 3.23Å; N12-F16 PolarHBondContact O-N 2.94Å
13	R	76.7	Confident	72.8	Confident	168 Å²	168	106 Å²	106	63%	0.634	56%	0.56	S	S	*	*	H	α-helix	trans	-64.7	-42.3	174.8	-87.8	-169.4	164.6	-142.2	-1.8	112.1	Y9 L10 L15 F16 C17	Y9-R13 PolarHBondContact O-N 3.29Å; Y9-R13 VanDerWaalsContact O-N 3.13Å; L10-R13 PolarHBondContact O-N 3.35Å; R13-L15 VanDerWaalsContact C-N 3.33Å; R13-L15 PolarHBondContact O-N 2.97Å; R13-F16 PolarHBondContact O-N 2.77Å; R13-C17 WeakPolarHBondContact O-CB 3.34Å; R13-C17 PolarHBondContact O-N 2.82Å; R13-C17 PolarHBondContact O-SG 3.47Å
14	L	78.5	Confident	73.9	Confident	118 Å²	118	102.7 Å²	102.7	62%	0.618	55%	0.545	S	S	*	.	H	α-helix	trans	-62.5	-43.5	177.7	-147.4	89.3	0	0	0	110.9	L10 T11 F16 C17 I18	L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 PolarHBondContact O-N 2.8Å; T11-L14 PolarHBondContact O-N 2.8Å; L14-F16 PolarHBondContact O-N 3.44Å; L14-C17 PolarHBondContact O-N 3.27Å; L14-I18 HydrophobicContact CD2-CD1 4.25Å; L14-I18 HydrophobicContact CG-CD1 4.37Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.37Å; L14-I18 PolarHBondContact O-N 2.85Å
15	L	78.9	Confident	74.7	Confident	100 Å²	100	103.4 Å²	103.4	52%	0.524	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-42.6	177	-167.2	70.7	0	0	0	111.5	T11 N12 R13 I18 L19	T11-L15 WeakPolarHBondContact O-CB 3.32Å; T11-L15 PolarHBondContact O-N 3.44Å; N12-L15 PolarHBondContact O-N 3.49Å; R13-L15 VanDerWaalsContact C-N 3.33Å; R13-L15 PolarHBondContact O-N 2.97Å; L15-I18 PolarHBondContact O-N 3.47Å; L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.64Å
16	F	77.2	Confident	74.5	Confident	161 Å²	161	106.5 Å²	106.5	71%	0.706	54%	0.541	S	S	*	.	H	α-helix	trans	-63.9	-41.4	175.8	-128	-86.4	0	0	0	112.2	N12 R13 L14 L19 A20	N12-F16 WeakPolarHBondContact O-CB 3.23Å; N12-F16 PolarHBondContact O-N 2.94Å; R13-F16 PolarHBondContact O-N 2.77Å; L14-F16 PolarHBondContact O-N 3.44Å; F16-L19 PolarHBondContact O-N 2.86Å; F16-A20 WeakPolarHBondContact O-CB 3.29Å; F16-A20 PolarHBondContact O-N 2.89Å
17	C	79.6	Confident	74.2	Confident	72 Å²	72	107.2 Å²	107.2	49%	0.486	55%	0.545	S	S	.	.	H	α-helix	trans	-64.4	-41.4	175.5	-71.6	0	0	0	0	111.7	R13 L14 A20 L21	R13-C17 WeakPolarHBondContact O-CB 3.34Å; R13-C17 PolarHBondContact O-N 2.82Å; R13-C17 PolarHBondContact O-SG 3.47Å; L14-C17 PolarHBondContact O-N 3.27Å; C17-A20 PolarHBondContact O-N 3.39Å; C17-L21 VanDerWaalsContact O-CB 3.26Å; C17-L21 WeakPolarHBondContact O-CB 3.45Å; C17-L21 WeakPolarHBondContact O-CD1 3.41Å; C17-L21 WeakPolarHBondContact O-CG 3.48Å; C17-L21 PolarHBondContact O-N 3.34Å
18	I	80.7	Confident	74.2	Confident	86 Å²	86	106.7 Å²	106.7	44%	0.441	55%	0.546	S	S	.	.	H	α-helix	trans	-65.3	-42.4	176.3	-67.6	164	0	0	0	110.4	L14 L15 L21 T22	L14-I18 HydrophobicContact CD2-CD1 4.25Å; L14-I18 HydrophobicContact CG-CD1 4.37Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.37Å; L14-I18 PolarHBondContact O-N 2.85Å; L15-I18 PolarHBondContact O-N 3.47Å; I18-L21 PolarHBondContact O-N 2.89Å; I18-T22 HydrophobicContact CG2-CG2 4.26Å; I18-T22 WeakPolarHBondContact O-CB 3.48Å; I18-T22 VanDerWaalsContact O-CG2 3.23Å; I18-T22 WeakPolarHBondContact O-CG2 3.48Å; I18-T22 PolarHBondContact O-N 2.91Å; I18-T22 PolarHBondContact O-OG1 3.32Å
19	L	78.6	Confident	73.7	Confident	95 Å²	95	105.3 Å²	105.3	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-65	-41.7	175.9	-71.5	170.2	0	0	0	111.9	L15 F16 T22 T23	L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.64Å; F16-L19 PolarHBondContact O-N 2.86Å; L19-T22 VanDerWaalsContact CA-OG1 3.32Å; L19-T22 WeakPolarHBondContact CA-OG1 3.41Å; L19-T22 PolarHBondContact O-OG1 2.96Å; L19-T23 WeakPolarHBondContact O-CB 3.35Å; L19-T23 PolarHBondContact O-N 3.49Å; L19-T23 PolarHBondContact O-OG1 3.41Å
20	A	76.6	Confident	72.7	Confident	56 Å²	56	100.3 Å²	100.3	46%	0.463	53%	0.534	S	S	.	.	H	α-helix	trans	-66.1	-43.7	176.6	0	0	0	0	0	111.9	F16 C17 T23 F24	F16-A20 WeakPolarHBondContact O-CB 3.29Å; F16-A20 PolarHBondContact O-N 2.89Å; C17-A20 PolarHBondContact O-N 3.39Å; A20-T23 PolarHBondContact O-N 3.44Å; A20-F24 VanDerWaalsContact O-CB 3.29Å; A20-F24 WeakPolarHBondContact O-CB 3.44Å; A20-F24 PolarHBondContact O-N 3.34Å
21	L	76	Confident	71.6	Confident	108 Å²	108	105.4 Å²	105.4	57%	0.565	55%	0.546	S	S	*	.	H	α-helix	trans	-66.4	-43.6	177.2	-81.4	161.9	0	0	0	111.8	C17 I18 T23 F24 V25	C17-L21 VanDerWaalsContact O-CB 3.26Å; C17-L21 WeakPolarHBondContact O-CB 3.45Å; C17-L21 WeakPolarHBondContact O-CD1 3.41Å; C17-L21 WeakPolarHBondContact O-CG 3.48Å; C17-L21 PolarHBondContact O-N 3.34Å; I18-L21 PolarHBondContact O-N 2.89Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 2.93Å; L21-F24 PolarHBondContact O-N 3.29Å; L21-V25 WeakPolarHBondContact O-CB 3.47Å; L21-V25 VanDerWaalsContact O-CG2 3.23Å; L21-V25 WeakPolarHBondContact O-CG2 3.11Å; L21-V25 PolarHBondContact O-N 2.93Å
22	T	74.3	Confident	70.1	Confident	69 Å²	69	108.1 Å²	108.1	42%	0.423	56%	0.557	S	S	.	*	H	α-helix	trans	-62.2	-44.2	175.9	48.8	0	0	0	0	110.6	I18 L19 F24 V25 Y26	I18-T22 HydrophobicContact CG2-CG2 4.26Å; I18-T22 WeakPolarHBondContact O-CB 3.48Å; I18-T22 VanDerWaalsContact O-CG2 3.23Å; I18-T22 WeakPolarHBondContact O-CG2 3.48Å; I18-T22 PolarHBondContact O-N 2.91Å; I18-T22 PolarHBondContact O-OG1 3.32Å; L19-T22 VanDerWaalsContact CA-OG1 3.32Å; L19-T22 WeakPolarHBondContact CA-OG1 3.41Å; L19-T22 PolarHBondContact O-OG1 2.96Å; T22-F24 PolarHBondContact O-N 3.49Å; T22-V25 PolarHBondContact O-N 3.13Å; T22-Y26 VanDerWaalsContact O-CB 3.26Å; T22-Y26 WeakPolarHBondContact O-CB 3.42Å; T22-Y26 PolarHBondContact O-N 3.35Å
23	T	71.3	Confident	68.5	Low	80 Å²	80	108.8 Å²	108.8	49%	0.491	57%	0.565	S	S	.	*	H	α-helix	trans	-62.1	-42.4	175.4	-47.7	0	0	0	0	111.6	L19 A20 L21 Y26 L27	L19-T23 WeakPolarHBondContact O-CB 3.35Å; L19-T23 PolarHBondContact O-N 3.49Å; L19-T23 PolarHBondContact O-OG1 3.41Å; A20-T23 PolarHBondContact O-N 3.44Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 2.93Å; T23-Y26 PolarHBondContact O-N 3.4Å; T23-L27 HydrophobicContact CG2-CD1 4.27Å; T23-L27 WeakPolarHBondContact O-CB 3.24Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.45Å; T23-L27 PolarHBondContact O-N 3.08Å
24	F	74.9	Confident	66.9	Low	122 Å²	122	105.8 Å²	105.8	54%	0.535	57%	0.567	S	S	.	*	H	α-helix	trans	-67.2	-43.3	178.7	-171.8	-104.5	0	0	0	112.6	A20 L21 T22 Y26 L27 L28	A20-F24 VanDerWaalsContact O-CB 3.29Å; A20-F24 WeakPolarHBondContact O-CB 3.44Å; A20-F24 PolarHBondContact O-N 3.34Å; L21-F24 PolarHBondContact O-N 3.29Å; T22-F24 PolarHBondContact O-N 3.49Å; F24-Y26 VanDerWaalsContact C-N 3.33Å; F24-L27 PolarHBondContact O-N 3.06Å; F24-L28 HydrophobicContact CD1-CD1 3.78Å; F24-L28 HydrophobicContact CD1-CG 4.44Å; F24-L28 HydrophobicContact CE1-CD1 3.44Å; F24-L28 VanDerWaalsContact CE1-CD1 3.44Å; F24-L28 HydrophobicContact CE1-CG 4.2Å; F24-L28 HydrophobicContact CZ-CD1 4.08Å; F24-L28 HydrophobicContact CZ-CG 4.47Å; F24-L28 WeakPolarHBondContact O-CG 3.29Å; F24-L28 PolarHBondContact O-N 2.93Å
25	V	73.1	Confident	65.2	Low	89 Å²	89	106.4 Å²	106.4	54%	0.539	58%	0.576	S	S	.	*	H	α-helix	trans	-66.1	-37.1	173.9	173.2	0	0	0	0	110.6	L21 T22 L28 S29	L21-V25 WeakPolarHBondContact O-CB 3.47Å; L21-V25 VanDerWaalsContact O-CG2 3.23Å; L21-V25 WeakPolarHBondContact O-CG2 3.11Å; L21-V25 PolarHBondContact O-N 2.93Å; T22-V25 PolarHBondContact O-N 3.13Å; V25-L28 PolarHBondContact O-N 3.3Å; V25-S29 WeakPolarHBondContact O-CB 3.32Å; V25-S29 PolarHBondContact O-N 3.1Å
26	Y	64	Low	63.8	Low	153 Å²	153	109.8 Å²	109.8	60%	0.6	59%	0.587	S	S	*	*	H	α-helix	trans	-63.7	-41.6	173.9	-130.5	-97.7	0	0	0	111.6	T22 T23 F24 S29	T22-Y26 VanDerWaalsContact O-CB 3.26Å; T22-Y26 WeakPolarHBondContact O-CB 3.42Å; T22-Y26 PolarHBondContact O-N 3.35Å; T23-Y26 PolarHBondContact O-N 3.4Å; F24-Y26 VanDerWaalsContact C-N 3.33Å; Y26-S29 PolarHBondContact O-N 3.48Å; Y26-S29 PolarHBondContact O-OG 2.96Å
27	L	63.9	Low	62.5	Low	127 Å²	127	106.8 Å²	106.8	67%	0.665	59%	0.586	S	S	*	*	H	α-helix	trans	-65.6	-39.9	175.2	-73.6	166	0	0	0	112	T23 F24 S29	T23-L27 HydrophobicContact CG2-CD1 4.27Å; T23-L27 WeakPolarHBondContact O-CB 3.24Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.45Å; T23-L27 PolarHBondContact O-N 3.08Å; F24-L27 PolarHBondContact O-N 3.06Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.46Å
28	L	68.7	Low	61.2	Low	125 Å²	125	114.7 Å²	114.7	65%	0.654	61%	0.605	S	S	*	*	H	α-helix	trans	-69.6	-26.5	174.4	-73.5	174.3	0	0	0	113.1	F24 V25 G30	F24-L28 HydrophobicContact CD1-CD1 3.78Å; F24-L28 HydrophobicContact CD1-CG 4.44Å; F24-L28 HydrophobicContact CE1-CD1 3.44Å; F24-L28 VanDerWaalsContact CE1-CD1 3.44Å; F24-L28 HydrophobicContact CE1-CG 4.2Å; F24-L28 HydrophobicContact CZ-CD1 4.08Å; F24-L28 HydrophobicContact CZ-CG 4.47Å; F24-L28 WeakPolarHBondContact O-CG 3.29Å; F24-L28 PolarHBondContact O-N 2.93Å; V25-L28 PolarHBondContact O-N 3.3Å; L28-G30 PolarHBondContact O-N 3.35Å; L28-G30 VanDerWaalsContact O-N 3.11Å
29	S	62.8	Low	60.1	Low	58 Å²	58	113.1 Å²	113.1	41%	0.406	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-3.7	-179.3	77.9	0	0	0	0	114.3	V25 Y26 L27 R31	V25-S29 WeakPolarHBondContact O-CB 3.32Å; V25-S29 PolarHBondContact O-N 3.1Å; Y26-S29 PolarHBondContact O-N 3.48Å; Y26-S29 PolarHBondContact O-OG 2.96Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.46Å; S29-R31 PolarHBondContact O-N 2.91Å
30	G	47.4	Very low	59.5	Low	44 Å²	44	115.2 Å²	115.2	45%	0.454	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	65.1	1.7	173.5	0	0	0	0	0	115.5	L28 L32	L28-G30 PolarHBondContact O-N 3.35Å; L28-G30 VanDerWaalsContact O-N 3.11Å; G30-L32 VanDerWaalsContact C-N 3.31Å; G30-L32 PolarHBondContact O-N 2.87Å
31	R	50.8	Low	59.8	Low	213 Å²	213	120 Å²	120	80%	0.804	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-5.5	-173.6	-75.7	-170.6	-173.6	-163.4	2.5	115.3	S29	S29-R31 PolarHBondContact O-N 2.91Å
32	L	42.7	Very low	60.3	Low	131 Å²	131	117.4 Å²	117.4	69%	0.686	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.3	80	159.6	-69	169.4	0	0	0	105.8	G30 P34	G30-L32 VanDerWaalsContact C-N 3.31Å; G30-L32 PolarHBondContact O-N 2.87Å; L32-P34 VanDerWaalsContact C-N 3.34Å; L32-P34 WeakPolarHBondContact O-CD 3.44Å
33	T	41.7	Very low	61.3	Low	109 Å²	109	119.8 Å²	119.8	67%	0.669	62%	0.624	S	S	*	*			trans	-63.9	110.5	143.5	46.4	0	0	0	0	103.4	T35	T33-T35 PolarHBondContact O-N 3.29Å
34	P	44.1	Very low	62.5	Low	106 Å²	106	121.1 Å²	121.1	69%	0.688	62%	0.62	S	S	*	*			trans	-56.4	121	157.7	-6.9	24.2	0	0	0	102.2	L32 F36	L32-P34 VanDerWaalsContact C-N 3.34Å; L32-P34 WeakPolarHBondContact O-CD 3.44Å; P34-F36 PolarHBondContact O-N 2.74Å
35	T	43	Very low	63.5	Low	130 Å²	130	116.6 Å²	116.6	80%	0.798	60%	0.599	S	S	*	*			trans	-61.1	77.2	151.5	51.2	0	0	0	0	104.5	T33 S37	T33-T35 PolarHBondContact O-N 3.29Å; T35-S37 PolarHBondContact O-N 2.65Å
36	F	48.4	Very low	64.7	Low	171 Å²	171	114.9 Å²	114.9	75%	0.75	59%	0.587	S	S	*	*			trans	-64	81.7	152.3	-157.9	-92.8	0	0	0	101.2	P34 R38	P34-F36 PolarHBondContact O-N 2.74Å; F36-R38 VanDerWaalsContact C-N 3.25Å; F36-R38 PolarHBondContact O-N 2.69Å
37	S	51	Low	66.3	Low	98 Å²	98	107.8 Å²	107.8	69%	0.685	56%	0.559	S	S	*	*			trans	-42	110.8	156.4	52.9	0	0	0	0	102.2	T35 G39	T35-S37 PolarHBondContact O-N 2.65Å; S37-G39 PolarHBondContact O-N 2.8Å
38	R	50.7	Low	67.9	Low	239 Å²	239	104 Å²	104	90%	0.902	54%	0.544	S	S	*	.			trans	-55.8	90.7	176.9	-105.2	177.5	170.3	168.5	-2.1	104	F36 R40	F36-R38 VanDerWaalsContact C-N 3.25Å; F36-R38 PolarHBondContact O-N 2.69Å; R38-R40 PolarHBondContact O-N 2.89Å
39	G	58.2	Low	69.4	Low	52 Å²	52	98.1 Å²	98.1	54%	0.536	51%	0.513	S	S	.	.			trans	-58.4	112.9	-179.9	0	0	0	0	0	102.9	S37 L41	S37-G39 PolarHBondContact O-N 2.8Å; G39-L41 PolarHBondContact O-N 2.58Å
40	R	66.5	Low	71.1	Confident	140 Å²	140	95.3 Å²	95.3	53%	0.528	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-54.8	117.6	-177.3	-169.7	178.1	-164.7	170.5	7.2	105.9	R38 A42	R38-R40 PolarHBondContact O-N 2.89Å; R40-A42 PolarHBondContact O-N 2.83Å
41	L	81.6	Confident	73.5	Confident	156 Å²	156	93.2 Å²	93.2	82%	0.817	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-50.7	128.2	-175.5	-72.6	173.9	0	0	0	109.2	G39 R43	G39-L41 PolarHBondContact O-N 2.58Å; L41-R43 PolarHBondContact O-N 2.55Å
42	A	88.1	Confident	75.8	Confident	54 Å²	54	83.2 Å²	83.2	45%	0.446	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-58.1	131.6	-179.3	0	0	0	0	0	108.9	R40 F101 T102	R40-A42 PolarHBondContact O-N 2.83Å; A42-F101 HydrophobicContact CB-CB 4.12Å; A42-F101 HydrophobicContact CB-CD1 4.19Å; A42-F101 HydrophobicContact CB-CG 4.5Å; A42-F101 WeakPolarHBondContact O-CD1 2.97Å; A42-T102 WeakPolarHBondContact CA-O 3.47Å
43	R	93.8	Very high	77.8	Confident	118 Å²	118	77 Å²	77	45%	0.445	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.8	-177.1	64.6	-179.8	-171.7	-177.4	4.5	111.4	L41 R45 T102	L41-R43 PolarHBondContact O-N 2.55Å; R43-R45 HydrophobicContact CG-CG 4.18Å; R43-R45 VanDerWaalsContact CG-NH1 3.28Å; R43-R45 VanDerWaalsContact NE-CZ 3.26Å; R43-R45 PolarHBondContact O-N 3.41Å; R43-T102 PolarHBondContact N-O 3.09Å; R43-T102 PolarHBondContact O-N 3.38Å; R43-T102 PolarHBondContact O-OG1 3.2Å
44	R	96.4	Very high	80.1	Confident	109 Å²	109	71.8 Å²	71.8	41%	0.411	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	106.5	174	-67.6	-171.5	169.4	139.4	-3.9	109.4	R96 S97 M99 F101	R44-R96 HydrophobicContact CB-CG 4.3Å; R44-R96 WeakPolarHBondContact CB-O 2.99Å; R44-R96 WeakPolarHBondContact CD-O 3.27Å; R44-R96 VanDerWaalsContact O-CD 3.26Å; R44-R96 WeakPolarHBondContact O-CD 3.27Å; R44-R96 VanDerWaalsContact O-CG 3.3Å; R44-R96 WeakPolarHBondContact O-CG 3.36Å; R44-S97 WeakPolarHBondContact CD-O 3.44Å; R44-S97 PolarHBondContact NE-O 3.36Å; R44-S97 VanDerWaalsContact NE-O 3.16Å; R44-S97 PolarHBondContact NH1-O 2.65Å; R44-M99 HydrophobicContact CB-CB 4.24Å; R44-M99 WeakPolarHBondContact CD-O 3.38Å; R44-M99 VanDerWaalsContact CG-O 3.26Å; R44-M99 WeakPolarHBondContact CG-O 3.32Å; R44-M99 PolarHBondContact NE-O 3.32Å; R44-M99 VanDerWaalsContact NE-O 3.09Å; R44-F101 HydrophobicContact CG-CD1 4.08Å; R44-F101 HydrophobicContact CG-CE1 4.04Å; R44-F101 HydrophobicContact CG-CG 4.44Å; R44-F101 HydrophobicContact CG-CZ 4.35Å
45	R	96.6	Very high	82.4	Confident	27 Å²	27	71.4 Å²	71.4	10%	0.102	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-92.8	145.2	175.7	-68	176.5	176.5	79.1	-14.2	109	R43 M99 T102 Q104 V109	R43-R45 HydrophobicContact CG-CG 4.18Å; R43-R45 VanDerWaalsContact CG-NH1 3.28Å; R43-R45 VanDerWaalsContact NE-CZ 3.26Å; R43-R45 PolarHBondContact O-N 3.41Å; R45-M99 WeakPolarHBondContact O-CB 3.49Å; R45-M99 VanDerWaalsContact O-CG 3.25Å; R45-M99 WeakPolarHBondContact O-CG 3.06Å; R45-T102 VanDerWaalsContact CD-OG1 3.31Å; R45-T102 WeakPolarHBondContact CD-OG1 3.35Å; R45-T102 WeakPolarHBondContact CG-OG1 3.39Å; R45-T102 PolarHBondContact NH1-O 2.94Å; R45-T102 PolarHBondContact NH1-OG1 3.43Å; R45-Q104 VanDerWaalsContact CZ-O 3.28Å; R45-Q104 PolarHBondContact NH2-O 2.83Å; R45-V109 HydrophobicContact CB-CG2 4.48Å
46	L	98	Very high	84.9	Confident	53 Å²	53	67.4 Å²	67.4	28%	0.277	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-62.6	154.4	172.7	-72	169.3	0	0	0	110.3	I92 Y95 R96 L129	L46-I92 HydrophobicContact CD1-CD1 3.96Å; L46-I92 HydrophobicContact CD1-CG1 4.27Å; L46-I92 HydrophobicContact CD2-CG1 4.34Å; L46-Y95 HydrophobicContact CD2-CD1 3.71Å; L46-Y95 HydrophobicContact CD2-CE1 4.16Å; L46-R96 HydrophobicContact CD2-CB 3.93Å; L46-R96 HydrophobicContact CD2-CG 4.13Å; L46-R96 HydrophobicContact CG-CG 4.27Å; L46-L129 HydrophobicContact CD1-CD1 4.09Å
47	P	98.3	Very high	87.1	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.026	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.7	138.5	176.6	25.5	-25.6	0	0	0	110.3	L50 Y95 M99 V109 E111 M133	P47-L50 HydrophobicContact CB-CD2 4.16Å; P47-L50 HydrophobicContact CG-CD2 3.98Å; P47-Y95 HydrophobicContact CG-CE1 3.84Å; P47-Y95 WeakPolarHBondContact CG-OH 3.48Å; P47-M99 HydrophobicContact CB-SD 4.47Å; P47-M99 HydrophobicContact CG-CE 4.29Å; P47-M99 HydrophobicContact CG-SD 4.09Å; P47-V109 VanDerWaalsContact CA-O 3.23Å; P47-V109 WeakPolarHBondContact CA-O 3.37Å; P47-V109 HydrophobicContact CB-CG1 4.18Å; P47-V109 WeakPolarHBondContact CB-O 3.49Å; P47-E111 HydrophobicContact CB-CB 4.22Å; P47-E111 HydrophobicContact CG-CB 4.26Å; P47-M133 WeakPolarHBondContact O-CE 3.36Å
48	S	98.3	Very high	89.2	Confident	48 Å²	48	55.9 Å²	55.9	34%	0.336	27%	0.271	S	S	.	.	S	Bend	trans	-101	-3.4	168.1	54.2	0	0	0	0	111.9	V109 K134	S48-V109 PolarHBondContact N-O 3.19Å; S48-K134 PolarHBondContact O-N 3.03Å; S48-K134 VanDerWaalsContact O-N 3.09Å
49	C	98.8	Very high	91.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.9	174.4	174.8	0	0	0	0	111.6	V108 V109 V110 E111 K134 L229	C49-V108 HydrophobicContact CB-CG1 4Å; C49-V109 PolarHBondContact N-O 2.97Å; C49-V110 HydrophobicContact CB-CG2 4.11Å; C49-V110 WeakPolarHBondContact O-CA 3.47Å; C49-E111 PolarHBondContact O-N 3.38Å; C49-E111 VanDerWaalsContact O-N 3.14Å; C49-K134 CarbonylContact C-O 3.57Å; C49-K134 VanDerWaalsContact CA-O 3.24Å; C49-K134 WeakPolarHBondContact CA-O 3.46Å; C49-K134 HydrophobicContact CB-CB 4.31Å; C49-L229 HydrophobicContact CB-CD2 3.87Å
50	L	98.9	Very high	93.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.7	170.3	-55.9	179	0	0	0	111.1	P47 I52 F82 E111 Y116 V126 M133 K134 L135 I136	P47-L50 HydrophobicContact CB-CD2 4.16Å; P47-L50 HydrophobicContact CG-CD2 3.98Å; L50-I52 HydrophobicContact CB-CG2 4.08Å; L50-F82 HydrophobicContact CD1-CD2 4.02Å; L50-F82 HydrophobicContact CD1-CE2 3.6Å; L50-F82 HydrophobicContact CD1-CZ 4.39Å; L50-F82 HydrophobicContact CD2-CE2 4.21Å; L50-E111 CarbonylContact C-O 3.6Å; L50-E111 WeakPolarHBondContact CA-O 3.37Å; L50-E111 HydrophobicContact CD2-CB 3.8Å; L50-E111 WeakPolarHBondContact CD2-OE2 3.5Å; L50-Y116 HydrophobicContact CD1-CD2 4.5Å; L50-Y116 HydrophobicContact CD1-CE2 4.44Å; L50-V126 HydrophobicContact CD1-CB 4.3Å; L50-V126 HydrophobicContact CD1-CG1 3.6Å; L50-V126 HydrophobicContact CD1-CG2 3.56Å; L50-M133 HydrophobicContact CD1-CE 4.42Å; L50-M133 HydrophobicContact CD1-CG 4.26Å; L50-M133 HydrophobicContact CD1-SD 4.3Å; L50-M133 HydrophobicContact CD2-SD 4.41Å; L50-M133 HydrophobicContact CG-CE 4.23Å; L50-M133 HydrophobicContact CG-CG 4.13Å; L50-M133 HydrophobicContact CG-SD 3.71Å; L50-K134 PolarHBondContact N-O 3.29Å; L50-L135 HydrophobicContact CB-CD2 4.07Å; L50-L135 HydrophobicContact CD1-CD2 4.41Å; L50-L135 WeakPolarHBondContact O-CA 3.42Å; L50-I136 PolarHBondContact O-N 3.02Å
51	I	98.8	Very high	94.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	96.7	165.3	-56.3	170.2	0	0	0	108.2	T59 M62 L63 L66 V110 E111 K112 T113 I136 V138	I51-T59 HydrophobicContact CG2-CG2 3.98Å; I51-M62 HydrophobicContact CD1-CB 4.44Å; I51-M62 HydrophobicContact CD1-CG 3.98Å; I51-L63 HydrophobicContact CD1-CB 3.83Å; I51-L63 HydrophobicContact CD1-CD1 3.9Å; I51-L66 HydrophobicContact CD1-CD1 4.13Å; I51-V110 HydrophobicContact CD1-CG1 3.78Å; I51-V110 HydrophobicContact CG1-CG1 3.81Å; I51-E111 PolarHBondContact N-O 3.06Å; I51-K112 HydrophobicContact CB-CB 3.83Å; I51-K112 HydrophobicContact CB-CG 3.72Å; I51-K112 HydrophobicContact CD1-CB 4.34Å; I51-K112 HydrophobicContact CD1-CG 4.5Å; I51-K112 HydrophobicContact CG2-CB 4.48Å; I51-K112 HydrophobicContact CG2-CG 3.82Å; I51-K112 WeakPolarHBondContact O-CA 3.39Å; I51-T113 PolarHBondContact O-N 3.17Å; I51-I136 CarbonylContact C-O 3.57Å; I51-I136 WeakPolarHBondContact CA-O 3.36Å; I51-I136 HydrophobicContact CG1-CB 4.06Å; I51-I136 HydrophobicContact CG1-CD1 4.48Å; I51-I136 HydrophobicContact CG1-CG2 4.39Å; I51-V138 HydrophobicContact CG2-CG2 4Å
52	I	98.1	Very high	95.4	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.159	C	C	.	.			trans	-83.7	-13.8	-176.9	63.8	172.6	0	0	0	113.5	L50 P114 Y116 F117 L135 I136 L137 W197	L50-I52 HydrophobicContact CB-CG2 4.08Å; I52-P114 CarbonylContact O-C 3.57Å; I52-P114 WeakPolarHBondContact O-CA 3.19Å; I52-Y116 HydrophobicContact CG2-CD2 4.17Å; I52-F117 HydrophobicContact CB-CB 4.41Å; I52-F117 HydrophobicContact CD1-CD2 4.08Å; I52-F117 HydrophobicContact CG1-CB 4.42Å; I52-F117 WeakPolarHBondContact O-CB 3.47Å; I52-F117 PolarHBondContact O-N 2.94Å; I52-L135 HydrophobicContact CG2-CD2 4.08Å; I52-I136 PolarHBondContact N-O 3.45Å; I52-I136 VanDerWaalsContact N-O 3.12Å; I52-L137 HydrophobicContact CG1-CB 4.34Å; I52-W197 HydrophobicContact CB-CH2 4.47Å; I52-W197 HydrophobicContact CB-CZ2 4.26Å; I52-W197 HydrophobicContact CD1-CD2 3.62Å; I52-W197 HydrophobicContact CD1-CE3 3.98Å; I52-W197 HydrophobicContact CD1-CG 4.05Å; I52-W197 HydrophobicContact CD1-CH2 4.3Å; I52-W197 HydrophobicContact CD1-CZ2 4Å; I52-W197 HydrophobicContact CD1-CZ3 4.29Å; I52-W197 HydrophobicContact CG2-CH2 3.63Å; I52-W197 HydrophobicContact CG2-CZ2 3.9Å; I52-W197 HydrophobicContact CG2-CZ3 4.15Å
53	G	85.1	Confident	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-50.7	167	-155.1	0	0	0	0	0	118.9	R55 T59 P114 V138	G53-R55 PolarHBondContact O-N 2.83Å; G53-T59 WeakPolarHBondContact O-CG2 3.48Å; G53-P114 WeakPolarHBondContact O-CA 3.45Å; G53-P114 WeakPolarHBondContact O-CB 3.31Å; G53-V138 CarbonylContact C-O 3.6Å; G53-V138 WeakPolarHBondContact CA-O 3.42Å
54	A	89.8	Confident	95.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-57.4	136.6	-172.3	0	0	0	0	0	112.5	K56 G57 F117 V138 Y190	A54-K56 PolarHBondContact O-N 2.81Å; A54-G57 WeakPolarHBondContact O-CA 3.48Å; A54-G57 PolarHBondContact O-N 3.2Å; A54-F117 HydrophobicContact CB-CD1 4.19Å; A54-F117 HydrophobicContact CB-CE1 4.45Å; A54-V138 PolarHBondContact N-O 2.83Å; A54-Y190 HydrophobicContact CB-CE1 3.72Å
55	R	93.3	Very high	96	Very high	97 Å²	97	19.9 Å²	19.9	37%	0.366	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	132	171.7	-173	-176.7	177.6	-153.7	15.3	109.2	G53 G57 P114 R145 D149 Q152	G53-R55 PolarHBondContact O-N 2.83Å; R55-G57 VanDerWaalsContact C-N 3.27Å; R55-G57 PolarHBondContact O-N 3.09Å; R55-P114 HydrophobicContact CB-CB 4.37Å; R55-R145 WeakPolarHBondContact O-CG 3.25Å; R55-R145 PolarHBondContact O-NE 3.09Å; R55-D149 WeakPolarHBondContact CD-OD1 3.39Å; R55-D149 IonicContact CZ-OD1 3.15Å; R55-D149 IonicContact NE-OD1 2.79Å; R55-D149 PolarHBondContact NE-OD1 2.94Å; R55-D149 IonicContact NH1-OD1 2.67Å; R55-D149 PolarHBondContact NH1-OD1 2.92Å; R55-D149 IonicContact NH1-OD2 3.82Å; R55-Q152 VanDerWaalsContact NH2-CG 3.28Å
56	K	95	Very high	96	Very high	46 Å²	46	18.6 Å²	18.6	20%	0.2	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	13.2	-174.2	-48	-57.6	-64.7	-175.8	0	115.7	A54 R145 S148 D149 Q152	A54-K56 PolarHBondContact O-N 2.81Å; K56-R145 HydrophobicContact CB-CG 4.43Å; K56-S148 WeakPolarHBondContact CE-OG 3.1Å; K56-D149 HydrophobicContact CG-CB 4.04Å; K56-Q152 HydrophobicContact CD-CB 4.23Å
57	G	95.1	Very high	95.9	Very high	1 Å²	1	17 Å²	17	1%	0.01	9%	0.089	C	C	.	.	S	Bend	trans	-85.9	-5.9	174.7	0	0	0	0	0	115.7	A54 R55 V138 G211	A54-G57 WeakPolarHBondContact O-CA 3.48Å; A54-G57 PolarHBondContact O-N 3.2Å; R55-G57 VanDerWaalsContact C-N 3.27Å; R55-G57 PolarHBondContact O-N 3.09Å; G57-V138 WeakPolarHBondContact O-CG1 3.43Å; G57-G211 WeakPolarHBondContact O-CA 3.48Å
58	G	95	Very high	95.8	Very high	27 Å²	27	17.1 Å²	17.1	28%	0.278	9%	0.09	S	C	.	.	S	Bend	trans	102.2	10	-177.7	0	0	0	0	0	114.9	R60 A61 M62	G58-R60 PolarHBondContact O-N 3.09Å; G58-R60 VanDerWaalsContact O-N 3.1Å; G58-A61 WeakPolarHBondContact O-CA 3.29Å; G58-A61 WeakPolarHBondContact O-CB 3.42Å; G58-A61 PolarHBondContact O-N 3.47Å; G58-M62 PolarHBondContact O-N 2.78Å
59	T	96.8	Very high	95.7	Very high	9 Å²	9	15 Å²	15	6%	0.055	8%	0.075	C	C	.	.	H	α-helix	trans	-50.3	-37.2	178.8	54.4	0	0	0	0	114.7	I51 G53 L63 K112 P114 V138	I51-T59 HydrophobicContact CG2-CG2 3.98Å; G53-T59 WeakPolarHBondContact O-CG2 3.48Å; T59-L63 PolarHBondContact O-N 3.42Å; T59-K112 VanDerWaalsContact C-CD 3.46Å; T59-K112 VanDerWaalsContact O-CD 3.25Å; T59-K112 WeakPolarHBondContact O-CD 3.39Å; T59-P114 HydrophobicContact CG2-CG 4.19Å; T59-P114 VanDerWaalsContact OG1-CG 3.29Å; T59-P114 WeakPolarHBondContact OG1-CG 3.12Å; T59-V138 HydrophobicContact CG2-CB 3.96Å; T59-V138 HydrophobicContact CG2-CG2 4.11Å
60	R	95.9	Very high	95.5	Very high	71 Å²	71	19 Å²	19	27%	0.268	10%	0.101	S	C	.	.	H	α-helix	trans	-68.1	-37.9	175.9	178.8	59	179.6	-151.2	6.9	112.6	G58 Q64 P76 L261	G58-R60 PolarHBondContact O-N 3.09Å; G58-R60 VanDerWaalsContact O-N 3.1Å; R60-Q64 WeakPolarHBondContact O-CG 3.38Å; R60-Q64 PolarHBondContact O-N 3.34Å; R60-Q64 VanDerWaalsContact O-N 3.1Å; R60-P76 PolarHBondContact NH1-O 2.94Å; R60-L261 HydrophobicContact CG-CD2 3.87Å
61	A	95.8	Very high	95.4	Very high	12 Å²	12	22.9 Å²	22.9	10%	0.099	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-48.4	176.6	0	0	0	0	0	109.7	G58 L63 Q64 F65 L214 L261	G58-A61 WeakPolarHBondContact O-CA 3.29Å; G58-A61 WeakPolarHBondContact O-CB 3.42Å; G58-A61 PolarHBondContact O-N 3.47Å; A61-L63 PolarHBondContact O-N 3.03Å; A61-Q64 PolarHBondContact O-N 2.84Å; A61-F65 HydrophobicContact CB-CD2 4.38Å; A61-F65 HydrophobicContact CB-CE2 4.02Å; A61-F65 WeakPolarHBondContact O-CB 3.43Å; A61-F65 VanDerWaalsContact O-CD2 3.3Å; A61-F65 WeakPolarHBondContact O-CD2 3.25Å; A61-F65 VanDerWaalsContact O-CG 3.29Å; A61-F65 WeakPolarHBondContact O-CG 3.49Å; A61-F65 PolarHBondContact O-N 2.89Å; A61-L214 HydrophobicContact CB-CD2 3.97Å; A61-L261 HydrophobicContact CB-CD1 3.88Å; A61-L261 HydrophobicContact CB-CD2 4.15Å
62	M	97.8	Very high	95.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-53.8	-51.3	175.3	-179.3	58.6	79.4	0	0	111.6	I51 G58 Q64 F65 L66 I136 V138 A209 L214 E221 L222 A225	I51-M62 HydrophobicContact CD1-CB 4.44Å; I51-M62 HydrophobicContact CD1-CG 3.98Å; G58-M62 PolarHBondContact O-N 2.78Å; M62-Q64 PolarHBondContact O-N 3.22Å; M62-F65 PolarHBondContact O-N 3.35Å; M62-L66 HydrophobicContact CG-CD1 3.94Å; M62-L66 HydrophobicContact CG-CG 4.45Å; M62-L66 WeakPolarHBondContact O-CB 3.49Å; M62-L66 VanDerWaalsContact O-CG 3.27Å; M62-L66 WeakPolarHBondContact O-CG 3.41Å; M62-L66 PolarHBondContact O-N 3.07Å; M62-L66 HydrophobicContact SD-CD1 3.89Å; M62-L66 HydrophobicContact SD-CD2 4.45Å; M62-L66 HydrophobicContact SD-CG 3.94Å; M62-I136 HydrophobicContact CG-CG2 4.21Å; M62-V138 HydrophobicContact CB-CG2 3.99Å; M62-V138 HydrophobicContact CG-CG2 4.11Å; M62-A209 HydrophobicContact CE-CB 3.62Å; M62-L214 HydrophobicContact CB-CD2 4.04Å; M62-L214 HydrophobicContact CE-CD1 4.15Å; M62-L214 HydrophobicContact CE-CD2 4.44Å; M62-E221 HydrophobicContact CE-CB 4.13Å; M62-L222 HydrophobicContact SD-CD2 3.93Å; M62-A225 HydrophobicContact SD-CB 4.36Å
63	L	97.6	Very high	95.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.8	-48.5	178	-177.3	73.5	0	0	0	112.6	I51 T59 A61 L66 S67 I74 V110 K112	I51-L63 HydrophobicContact CD1-CB 3.83Å; I51-L63 HydrophobicContact CD1-CD1 3.9Å; T59-L63 PolarHBondContact O-N 3.42Å; A61-L63 PolarHBondContact O-N 3.03Å; L63-L66 PolarHBondContact O-N 2.79Å; L63-S67 PolarHBondContact O-N 3.04Å; L63-I74 HydrophobicContact CD1-CB 3.74Å; L63-I74 HydrophobicContact CD1-CG2 3.63Å; L63-I74 HydrophobicContact CD2-CD1 4.36Å; L63-I74 HydrophobicContact CG-CB 4.06Å; L63-I74 HydrophobicContact CG-CD1 4.07Å; L63-I74 HydrophobicContact CG-CG2 4.06Å; L63-V110 HydrophobicContact CD1-CB 4.29Å; L63-V110 HydrophobicContact CD1-CG1 3.83Å; L63-K112 HydrophobicContact CB-CB 4.46Å; L63-K112 HydrophobicContact CB-CD 4.07Å; L63-K112 HydrophobicContact CD1-CB 4.03Å; L63-K112 HydrophobicContact CD2-CB 4.03Å; L63-K112 HydrophobicContact CD2-CD 4.09Å; L63-K112 HydrophobicContact CG-CB 4.4Å
64	Q	95.5	Very high	95.9	Very high	16 Å²	16	28.7 Å²	28.7	8%	0.075	14%	0.142	C	C	.	.	H	α-helix	trans	-72.9	-33.7	-175.9	-74.3	-170.8	-81.7	0	0	113.1	R60 A61 M62 S67 Y251	R60-Q64 WeakPolarHBondContact O-CG 3.38Å; R60-Q64 PolarHBondContact O-N 3.34Å; R60-Q64 VanDerWaalsContact O-N 3.1Å; A61-Q64 PolarHBondContact O-N 2.84Å; M62-Q64 PolarHBondContact O-N 3.22Å; Q64-S67 PolarHBondContact O-N 3.08Å; Q64-S67 PolarHBondContact O-OG 3.42Å; Q64-Y251 HydrophobicContact CB-CE1 3.85Å
65	F	97	Very high	96.3	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-71.9	-36.6	174.2	-65.3	-32.1	0	0	0	111.5	A61 M62 S67 L68 L214 P218 L222 L240 Y249 Y251	A61-F65 HydrophobicContact CB-CD2 4.38Å; A61-F65 HydrophobicContact CB-CE2 4.02Å; A61-F65 WeakPolarHBondContact O-CB 3.43Å; A61-F65 VanDerWaalsContact O-CD2 3.3Å; A61-F65 WeakPolarHBondContact O-CD2 3.25Å; A61-F65 VanDerWaalsContact O-CG 3.29Å; A61-F65 WeakPolarHBondContact O-CG 3.49Å; A61-F65 PolarHBondContact O-N 2.89Å; M62-F65 PolarHBondContact O-N 3.35Å; F65-S67 PolarHBondContact O-N 3.3Å; F65-L68 VanDerWaalsContact O-CB 3.22Å; F65-L68 WeakPolarHBondContact O-CB 3.39Å; F65-L68 WeakPolarHBondContact O-CG 3.42Å; F65-L68 PolarHBondContact O-N 3.24Å; F65-L214 HydrophobicContact CD2-CD1 4.09Å; F65-L214 HydrophobicContact CE2-CD1 4.34Å; F65-P218 HydrophobicContact CD2-CB 4.32Å; F65-P218 HydrophobicContact CE2-CB 4.01Å; F65-L222 HydrophobicContact CB-CD1 3.63Å; F65-L222 HydrophobicContact CB-CD2 3.33Å; F65-L222 HydrophobicContact CB-CG 4.1Å; F65-L222 HydrophobicContact CD2-CD1 4.07Å; F65-L222 HydrophobicContact CD2-CD2 4.32Å; F65-L222 HydrophobicContact CG-CD1 4.04Å; F65-L222 HydrophobicContact CG-CD2 4.31Å; F65-L240 HydrophobicContact CD1-CD2 3.93Å; F65-L240 HydrophobicContact CE1-CD2 4.11Å; F65-Y249 WeakPolarHBondContact CZ-O 3.22Å; F65-Y251 AromaticContact CD1-CD1 3.65Å; F65-Y251 HydrophobicContact CD1-CD1 3.65Å; F65-Y251 HydrophobicContact CD1-CE1 4.28Å; F65-Y251 HydrophobicContact CD1-CG 4.19Å; F65-Y251 AromaticContact CE1-CD1 3.7Å; F65-Y251 HydrophobicContact CE1-CD1 3.7Å; F65-Y251 HydrophobicContact CE1-CE1 4.48Å; F65-Y251 HydrophobicContact CE1-CG 4.42Å
66	L	97.1	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-27	174	-74.9	174.2	0	0	0	112.8	I51 M62 L63 L68 H69 I72 I136 L222 A225 I235	I51-L66 HydrophobicContact CD1-CD1 4.13Å; M62-L66 HydrophobicContact CG-CD1 3.94Å; M62-L66 HydrophobicContact CG-CG 4.45Å; M62-L66 WeakPolarHBondContact O-CB 3.49Å; M62-L66 VanDerWaalsContact O-CG 3.27Å; M62-L66 WeakPolarHBondContact O-CG 3.41Å; M62-L66 PolarHBondContact O-N 3.07Å; M62-L66 HydrophobicContact SD-CD1 3.89Å; M62-L66 HydrophobicContact SD-CD2 4.45Å; M62-L66 HydrophobicContact SD-CG 3.94Å; L63-L66 PolarHBondContact O-N 2.79Å; L66-L68 PolarHBondContact O-N 3.37Å; L66-H69 WeakPolarHBondContact O-CB 3.39Å; L66-H69 PolarHBondContact O-N 3.01Å; L66-H69 VanDerWaalsContact O-N 3.09Å; L66-I72 HydrophobicContact CB-CD1 4.04Å; L66-I72 HydrophobicContact CB-CG2 4.38Å; L66-I72 HydrophobicContact CD2-CD1 3.98Å; L66-I72 WeakPolarHBondContact O-CB 3.22Å; L66-I72 WeakPolarHBondContact O-CD1 3.48Å; L66-I72 WeakPolarHBondContact O-CG2 3.46Å; L66-I136 HydrophobicContact CD1-CD1 3.91Å; L66-L222 HydrophobicContact CD2-CD2 4.35Å; L66-L222 HydrophobicContact CG-CD2 4.39Å; L66-A225 HydrophobicContact CD2-CB 3.93Å; L66-I235 HydrophobicContact CD2-CD1 4.27Å
67	S	95.4	Very high	96.4	Very high	18 Å²	18	28.8 Å²	28.8	13%	0.126	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.9	175.1	67	0	0	0	0	114.4	L63 Q64 F65 H69	L63-S67 PolarHBondContact O-N 3.04Å; Q64-S67 PolarHBondContact O-N 3.08Å; Q64-S67 PolarHBondContact O-OG 3.42Å; F65-S67 PolarHBondContact O-N 3.3Å; S67-H69 PolarHBondContact O-N 3.28Å
68	L	96.1	Very high	96.5	Very high	8 Å²	8	33 Å²	33	4%	0.042	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-24.5	168.9	-70	170.4	0	0	0	112.3	F65 L66 I235 Q239 L240 Y251 H252	F65-L68 VanDerWaalsContact O-CB 3.22Å; F65-L68 WeakPolarHBondContact O-CB 3.39Å; F65-L68 WeakPolarHBondContact O-CG 3.42Å; F65-L68 PolarHBondContact O-N 3.24Å; L66-L68 PolarHBondContact O-N 3.37Å; L68-I235 HydrophobicContact CB-CG1 4.13Å; L68-I235 HydrophobicContact CD1-CG2 4.2Å; L68-Q239 HydrophobicContact CD1-CB 4.07Å; L68-Q239 HydrophobicContact CD2-CB 4.47Å; L68-L240 HydrophobicContact CD1-CD2 3.72Å; L68-Y251 HydrophobicContact CD1-CD2 4.37Å; L68-Y251 HydrophobicContact CD1-CG 4.38Å; L68-Y251 HydrophobicContact CD2-CD2 3.56Å; L68-Y251 HydrophobicContact CD2-CE2 4.25Å; L68-Y251 HydrophobicContact CD2-CG 4.32Å; L68-Y251 HydrophobicContact CG-CD2 4.02Å; L68-Y251 HydrophobicContact CG-CG 4.49Å; L68-H252 WeakPolarHBondContact CD2-O 3.46Å
69	H	96.5	Very high	96.7	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.019	16%	0.162	C	C	.	.	S	Bend	trans	-75.1	128.5	-178.5	-170.3	-83.7	0	0	0	111.3	L66 S67 K71 I72 E226 E232 I235	L66-H69 WeakPolarHBondContact O-CB 3.39Å; L66-H69 PolarHBondContact O-N 3.01Å; L66-H69 VanDerWaalsContact O-N 3.09Å; S67-H69 PolarHBondContact O-N 3.28Å; H69-K71 PolarHBondContact ND1-N 3.05Å; H69-K71 PolarHBondContact O-N 3.42Å; H69-K71 VanDerWaalsContact O-N 3.09Å; H69-I72 HydrophobicContact CB-CB 4.12Å; H69-I72 HydrophobicContact CB-CD1 3.77Å; H69-I72 HydrophobicContact CB-CG1 3.84Å; H69-I72 PolarHBondContact O-N 3.42Å; H69-E226 IonicContact CD2-OE1 3.53Å; H69-E226 PolarHBondContact CD2-OE1 2.99Å; H69-E232 PolarHBondContact NE2-O 3.13Å; H69-I235 HydrophobicContact CB-CD1 4.12Å; H69-I235 HydrophobicContact CB-CG1 4.04Å
70	P	95.3	Very high	96.7	Very high	83 Å²	83	34.9 Å²	34.9	54%	0.539	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.9	-175.8	-27.3	34.8	0	0	0	115.1	R73	P70-R73 PolarHBondContact O-NH1 3.44Å
71	K	96.8	Very high	96.9	Very high	82 Å²	82	32.1 Å²	32.1	36%	0.357	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.9	177.6	-56.3	-166.7	175.7	-168.2	0	114.9	H69 D106 I107 V108 L231	H69-K71 PolarHBondContact ND1-N 3.05Å; H69-K71 PolarHBondContact O-N 3.42Å; H69-K71 VanDerWaalsContact O-N 3.09Å; K71-D106 VanDerWaalsContact CE-OD2 3.27Å; K71-D106 WeakPolarHBondContact CE-OD2 3.4Å; K71-D106 IonicContact NZ-OD2 2.69Å; K71-D106 PolarHBondContact NZ-OD2 3.06Å; K71-I107 CarbonylContact O-C 3.6Å; K71-I107 WeakPolarHBondContact O-CA 3.4Å; K71-V108 PolarHBondContact O-N 3.12Å; K71-L231 HydrophobicContact CB-CD2 4.14Å; K71-L231 HydrophobicContact CD-CD2 4.27Å
72	I	97.3	Very high	97	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.9	176.9	-66	-177.2	0	0	0	109.8	L66 H69 I74 V108 V110 L229 L231	L66-I72 HydrophobicContact CB-CD1 4.04Å; L66-I72 HydrophobicContact CB-CG2 4.38Å; L66-I72 HydrophobicContact CD2-CD1 3.98Å; L66-I72 WeakPolarHBondContact O-CB 3.22Å; L66-I72 WeakPolarHBondContact O-CD1 3.48Å; L66-I72 WeakPolarHBondContact O-CG2 3.46Å; H69-I72 HydrophobicContact CB-CB 4.12Å; H69-I72 HydrophobicContact CB-CD1 3.77Å; H69-I72 HydrophobicContact CB-CG1 3.84Å; H69-I72 PolarHBondContact O-N 3.42Å; I72-I74 HydrophobicContact CG2-CG2 3.94Å; I72-V108 WeakPolarHBondContact CA-O 3.03Å; I72-V108 HydrophobicContact CG1-CB 4.38Å; I72-V110 HydrophobicContact CG2-CG2 3.8Å; I72-L229 HydrophobicContact CD1-CD1 4.03Å; I72-L231 HydrophobicContact CD1-CD1 3.77Å; I72-L231 HydrophobicContact CG1-CD1 3.77Å
73	R	97.2	Very high	97	Very high	87 Å²	87	33.4 Å²	33.4	33%	0.328	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.6	167	-64.8	-66.9	178.1	-77.5	-7.4	108.8	P70 P100 T102 I107 V108 V109 V110	P70-R73 PolarHBondContact O-NH1 3.44Å; R73-P100 HydrophobicContact CB-CB 4.23Å; R73-P100 HydrophobicContact CB-CG 3.66Å; R73-T102 HydrophobicContact CB-CG2 4.41Å; R73-T102 HydrophobicContact CG-CG2 4.15Å; R73-I107 HydrophobicContact CB-CG2 4.03Å; R73-I107 HydrophobicContact CG-CG2 3.56Å; R73-V108 PolarHBondContact N-O 2.87Å; R73-V109 CarbonylContact O-C 3.59Å; R73-V109 VanDerWaalsContact O-CA 3.31Å; R73-V109 WeakPolarHBondContact O-CA 3.38Å; R73-V110 PolarHBondContact O-N 3.38Å
74	I	97.4	Very high	97.1	Very high	33 Å²	33	36.5 Å²	36.5	17%	0.169	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.9	-174.9	62.2	164.5	0	0	0	111.5	L63 I72 P76 V110	L63-I74 HydrophobicContact CD1-CB 3.74Å; L63-I74 HydrophobicContact CD1-CG2 3.63Å; L63-I74 HydrophobicContact CD2-CD1 4.36Å; L63-I74 HydrophobicContact CG-CB 4.06Å; L63-I74 HydrophobicContact CG-CD1 4.07Å; L63-I74 HydrophobicContact CG-CG2 4.06Å; I72-I74 HydrophobicContact CG2-CG2 3.94Å; I74-P76 WeakPolarHBondContact O-CD 3.18Å; I74-V110 WeakPolarHBondContact CA-O 3.32Å; I74-V110 HydrophobicContact CG2-CB 4.41Å
75	V	98	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-85	112.5	161.6	-176.2	0	0	0	0	107.5	Q77 L79 M99 V109 V110 E111	V75-Q77 VanDerWaalsContact C-N 3.3Å; V75-Q77 HydrophobicContact CG1-CG 4.19Å; V75-Q77 PolarHBondContact O-N 3.18Å; V75-L79 HydrophobicContact CG1-CD1 3.93Å; V75-L79 HydrophobicContact CG1-CD2 4.37Å; V75-L79 HydrophobicContact CG1-CG 4.04Å; V75-M99 HydrophobicContact CG2-CE 4.16Å; V75-M99 HydrophobicContact CG2-SD 3.52Å; V75-M99 VanDerWaalsContact CG2-SD 3.52Å; V75-V109 HydrophobicContact CG2-CG1 4.41Å; V75-V110 PolarHBondContact N-O 2.67Å; V75-E111 HydrophobicContact CB-CB 4.28Å; V75-E111 HydrophobicContact CB-CG 4.22Å; V75-E111 HydrophobicContact CG1-CG 4.46Å; V75-E111 HydrophobicContact CG2-CB 4.03Å; V75-E111 HydrophobicContact CG2-CG 4.28Å
76	P	94	Very high	97.3	Very high	73 Å²	73	43.1 Å²	43.1	47%	0.474	23%	0.231	S	C	.	.			trans	-70.1	-24	-173.1	24.6	-32.3	0	0	0	113.8	R60 I74	R60-P76 PolarHBondContact NH1-O 2.94Å; I74-P76 WeakPolarHBondContact O-CD 3.18Å
77	Q	96.3	Very high	97.3	Very high	73 Å²	73	44 Å²	44	34%	0.341	24%	0.236	S	C	.	.	S	Bend	trans	-98	156.8	-178.1	69.4	-84.6	33.5	0	0	112.7	V75 L79	V75-Q77 VanDerWaalsContact C-N 3.3Å; V75-Q77 HydrophobicContact CG1-CG 4.19Å; V75-Q77 PolarHBondContact O-N 3.18Å; Q77-L79 HydrophobicContact CG-CD2 3.46Å; Q77-L79 VanDerWaalsContact CG-CD2 3.46Å; Q77-L79 HydrophobicContact CG-CG 4.29Å
78	E	97.7	Very high	97.5	Very high	89 Å²	89	46.3 Å²	46.3	42%	0.416	24%	0.243	S	C	.	.			trans	-82.7	121.6	168.2	-39.2	-159.7	153.1	0	0	107.4	H80 K112 T113	E78-H80 IonicContact OE2-NE2 3.61Å; E78-K112 VanDerWaalsContact CG-NZ 3.28Å; E78-K112 IonicContact OE1-NZ 2.71Å; E78-K112 PolarHBondContact OE1-NZ 3.4Å; E78-T113 HydrophobicContact CB-CG2 4.46Å
79	L	98.3	Very high	97.6	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.063	27%	0.274	C	S	.	.			trans	-90.8	-22.8	-172.7	-68.2	-176.7	0	0	0	113.7	V75 Q77 Y81 T87 W94 Y95 Q98 M99 E111 T113	V75-L79 HydrophobicContact CG1-CD1 3.93Å; V75-L79 HydrophobicContact CG1-CD2 4.37Å; V75-L79 HydrophobicContact CG1-CG 4.04Å; Q77-L79 HydrophobicContact CG-CD2 3.46Å; Q77-L79 VanDerWaalsContact CG-CD2 3.46Å; Q77-L79 HydrophobicContact CG-CG 4.29Å; L79-Y81 PolarHBondContact O-N 3.46Å; L79-Y81 VanDerWaalsContact O-N 3.1Å; L79-T87 WeakPolarHBondContact O-CG2 3.39Å; L79-W94 HydrophobicContact CD2-CH2 4.46Å; L79-Y95 HydrophobicContact CB-CE2 4.37Å; L79-Y95 HydrophobicContact CD1-CD2 3.82Å; L79-Y95 HydrophobicContact CD1-CE2 3.51Å; L79-Q98 HydrophobicContact CD1-CB 3.64Å; L79-Q98 HydrophobicContact CD1-CG 4.2Å; L79-Q98 HydrophobicContact CD2-CB 3.82Å; L79-Q98 HydrophobicContact CD2-CG 3.88Å; L79-Q98 HydrophobicContact CG-CB 4.43Å; L79-M99 HydrophobicContact CD1-CE 3.57Å; L79-E111 HydrophobicContact CD1-CG 4Å; L79-E111 HydrophobicContact CG-CG 4.31Å; L79-T113 PolarHBondContact N-OG1 3.43Å; L79-T113 VanDerWaalsContact N-OG1 3.11Å
80	H	98.4	Very high	97.7	Very high	65 Å²	65	57.3 Å²	57.3	30%	0.301	30%	0.296	S	S	.	.			trans	53.3	26.9	-176	-68.3	-80.6	0	0	0	114.7	E78 F82 D83 D84 T113	E78-H80 IonicContact OE2-NE2 3.61Å; H80-F82 PolarHBondContact O-N 2.74Å; H80-D83 VanDerWaalsContact C-OD1 3.29Å; H80-D83 WeakPolarHBondContact CA-OD1 3.26Å; H80-D83 WeakPolarHBondContact CB-OD1 3.3Å; H80-D83 IonicContact CE1-OD2 3.7Å; H80-D83 IonicContact CG-OD1 3.94Å; H80-D83 IonicContact CG-OD2 3.61Å; H80-D83 IonicContact ND1-OD1 2.91Å; H80-D83 PolarHBondContact ND1-OD1 3.5Å; H80-D83 IonicContact ND1-OD2 2.71Å; H80-D83 PolarHBondContact ND1-OD2 2.84Å; H80-D84 HydrophobicContact CB-CB 4.2Å; H80-D84 WeakPolarHBondContact O-CB 3.32Å; H80-D84 PolarHBondContact O-N 3.46Å; H80-T113 PolarHBondContact N-OG1 3.41Å
81	Y	98.7	Very high	97.9	Very high	12 Å²	12	54.7 Å²	54.7	5%	0.047	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-38.5	-172.2	-177.6	-114.5	0	0	0	112.5	L79 T87 Y88 G91 I92 W94 Y95 Y116	L79-Y81 PolarHBondContact O-N 3.46Å; L79-Y81 VanDerWaalsContact O-N 3.1Å; Y81-T87 HydrophobicContact CD2-CG2 4.32Å; Y81-Y88 HydrophobicContact CE1-CD2 4.22Å; Y81-Y88 HydrophobicContact CE1-CE2 4.37Å; Y81-Y88 HydrophobicContact CE2-CD2 4.35Å; Y81-Y88 WeakPolarHBondContact O-CA 3.42Å; Y81-Y88 WeakPolarHBondContact O-CB 3.4Å; Y81-Y88 WeakPolarHBondContact O-CD2 3.31Å; Y81-G91 PolarHBondContact OH-O 3.34Å; Y81-I92 PolarHBondContact OH-N 2.7Å; Y81-W94 AromaticContact CD2-CE3 3.91Å; Y81-W94 HydrophobicContact CD2-CE3 3.91Å; Y81-W94 AromaticContact CD2-CZ3 3.74Å; Y81-W94 HydrophobicContact CD2-CZ3 3.74Å; Y81-W94 HydrophobicContact CE2-CE3 4.24Å; Y81-W94 HydrophobicContact CG-CZ3 4.45Å; Y81-Y95 AromaticContact CD1-CD1 3.68Å; Y81-Y95 HydrophobicContact CD1-CD1 3.68Å; Y81-Y95 AromaticContact CD1-CD2 3.52Å; Y81-Y95 HydrophobicContact CD1-CD2 3.52Å; Y81-Y95 AromaticContact CD1-CE1 3.97Å; Y81-Y95 HydrophobicContact CD1-CE1 3.97Å; Y81-Y95 AromaticContact CD1-CE2 3.8Å; Y81-Y95 HydrophobicContact CD1-CE2 3.8Å; Y81-Y95 AromaticContact CD1-CG 3.46Å; Y81-Y95 HydrophobicContact CD1-CG 3.46Å; Y81-Y95 VanDerWaalsContact CD1-CG 3.46Å; Y81-Y95 AromaticContact CD2-CD2 3.98Å; Y81-Y95 HydrophobicContact CD2-CD2 3.98Å; Y81-Y95 HydrophobicContact CD2-CG 4.1Å; Y81-Y95 AromaticContact CE1-CD1 3.72Å; Y81-Y95 HydrophobicContact CE1-CD1 3.72Å; Y81-Y95 HydrophobicContact CE1-CD2 4.21Å; Y81-Y95 HydrophobicContact CE1-CE1 4.32Å; Y81-Y95 AromaticContact CE1-CG 3.66Å; Y81-Y95 HydrophobicContact CE1-CG 3.66Å; Y81-Y95 HydrophobicContact CE2-CG 4.29Å; Y81-Y95 HydrophobicContact CG-CD1 4.38Å; Y81-Y95 AromaticContact CG-CD2 3.39Å; Y81-Y95 HydrophobicContact CG-CD2 3.39Å; Y81-Y95 AromaticContact CG-CE2 3.83Å; Y81-Y95 HydrophobicContact CG-CE2 3.83Å; Y81-Y95 AromaticContact CG-CG 3.7Å; Y81-Y95 HydrophobicContact CG-CG 3.7Å; Y81-Y116 PolarHBondContact N-OH 3.07Å; Y81-Y116 VanDerWaalsContact N-OH 3.11Å
82	F	98.7	Very high	97.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-19.2	-176.5	-55.4	-70.3	0	0	0	114.4	L50 H80 Y95 Y116 A122 R125 V126 L129	L50-F82 HydrophobicContact CD1-CD2 4.02Å; L50-F82 HydrophobicContact CD1-CE2 3.6Å; L50-F82 HydrophobicContact CD1-CZ 4.39Å; L50-F82 HydrophobicContact CD2-CE2 4.21Å; H80-F82 PolarHBondContact O-N 2.74Å; F82-Y95 HydrophobicContact CE2-CE1 4.25Å; F82-Y95 AromaticContact CE2-CZ 3.85Å; F82-Y95 WeakPolarHBondContact CE2-OH 3.36Å; F82-Y95 AromaticContact CZ-CE1 3.85Å; F82-Y95 HydrophobicContact CZ-CE1 3.85Å; F82-Y95 AromaticContact CZ-CZ 3.92Å; F82-Y116 HydrophobicContact CB-CD1 4.05Å; F82-Y116 HydrophobicContact CB-CE1 3.8Å; F82-Y116 HydrophobicContact CD2-CD2 4.23Å; F82-Y116 HydrophobicContact CD2-CE1 4.02Å; F82-Y116 AromaticContact CD2-CE2 3.58Å; F82-Y116 HydrophobicContact CD2-CE2 3.58Å; F82-Y116 AromaticContact CD2-CZ 3.49Å; F82-Y116 VanDerWaalsContact CD2-CZ 3.49Å; F82-Y116 HydrophobicContact CE2-CE2 4.25Å; F82-Y116 HydrophobicContact CG-CE1 4.39Å; F82-A122 HydrophobicContact CB-CB 3.88Å; F82-A122 WeakPolarHBondContact O-CA 3.47Å; F82-R125 HydrophobicContact CB-CB 4.38Å; F82-R125 HydrophobicContact CD1-CB 3.77Å; F82-R125 VanDerWaalsContact O-CD 3.23Å; F82-R125 WeakPolarHBondContact O-CD 3.24Å; F82-R125 PolarHBondContact O-NH1 3.19Å; F82-R125 VanDerWaalsContact O-NH1 3.09Å; F82-V126 HydrophobicContact CB-CG2 4.03Å; F82-V126 HydrophobicContact CD1-CG2 3.79Å; F82-V126 HydrophobicContact CD2-CG2 3.5Å; F82-V126 VanDerWaalsContact CD2-CG2 3.5Å; F82-V126 HydrophobicContact CE1-CG2 4.04Å; F82-V126 HydrophobicContact CE2-CG2 3.8Å; F82-V126 HydrophobicContact CG-CG2 3.5Å; F82-V126 VanDerWaalsContact CG-CG2 3.5Å; F82-V126 HydrophobicContact CZ-CG2 4.04Å; F82-L129 HydrophobicContact CE1-CB 4.21Å; F82-L129 HydrophobicContact CE1-CD2 3.96Å; F82-L129 HydrophobicContact CZ-CD2 3.54Å
83	D	98.3	Very high	98	Very high	39 Å²	39	59.7 Å²	59.7	21%	0.209	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-26	-179.6	63.9	-54.9	0	0	0	114.8	H80 A115 Y116	H80-D83 VanDerWaalsContact C-OD1 3.29Å; H80-D83 WeakPolarHBondContact CA-OD1 3.26Å; H80-D83 WeakPolarHBondContact CB-OD1 3.3Å; H80-D83 IonicContact CE1-OD2 3.7Å; H80-D83 IonicContact CG-OD1 3.94Å; H80-D83 IonicContact CG-OD2 3.61Å; H80-D83 IonicContact ND1-OD1 2.91Å; H80-D83 PolarHBondContact ND1-OD1 3.5Å; H80-D83 IonicContact ND1-OD2 2.71Å; H80-D83 PolarHBondContact ND1-OD2 2.84Å; D83-A115 WeakPolarHBondContact OD2-CB 3.35Å; D83-Y116 HydrophobicContact CB-CD1 3.98Å; D83-Y116 HydrophobicContact CB-CE1 4.4Å; D83-Y116 VanDerWaalsContact OD1-CD1 3.32Å; D83-Y116 WeakPolarHBondContact OD1-CD1 3.4Å; D83-Y116 WeakPolarHBondContact OD1-CE1 3.44Å
84	D	98.3	Very high	98	Very high	65 Å²	65	58.6 Å²	58.6	35%	0.348	31%	0.306	S	S	.	.			trans	-103	126.9	-179.6	175.5	61.1	0	0	0	112.1	H80 A86 T87 Y88	H80-D84 HydrophobicContact CB-CB 4.2Å; H80-D84 WeakPolarHBondContact O-CB 3.32Å; H80-D84 PolarHBondContact O-N 3.46Å; D84-A86 PolarHBondContact OD2-N 3.22Å; D84-T87 PolarHBondContact O-N 3.07Å; D84-T87 VanDerWaalsContact OD2-CB 3.3Å; D84-T87 WeakPolarHBondContact OD2-CB 3.18Å; D84-T87 PolarHBondContact OD2-N 3.36Å; D84-T87 PolarHBondContact OD2-OG1 3.46Å; D84-Y88 WeakPolarHBondContact O-CB 3.33Å; D84-Y88 PolarHBondContact O-N 2.99Å
85	N	98.5	Very high	98.1	Very high	92 Å²	92	57 Å²	57	49%	0.492	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-40.5	-176.8	-71.3	-13.7	0	0	0	112.6	T87 Y88 N89 R125	N85-T87 VanDerWaalsContact C-N 3.26Å; N85-T87 PolarHBondContact O-N 2.95Å; N85-Y88 PolarHBondContact O-N 2.86Å; N85-N89 WeakPolarHBondContact O-CB 3.25Å; N85-N89 PolarHBondContact O-N 3.31Å; N85-N89 PolarHBondContact O-ND2 3.16Å; N85-N89 PolarHBondContact O-OD1 3.27Å; N85-R125 PolarHBondContact OD1-NH1 2.79Å; N85-R125 PolarHBondContact OD1-NH2 2.9Å
86	A	98.6	Very high	98.1	Very high	68 Å²	68	60 Å²	60	56%	0.562	31%	0.31	S	S	*	.	H	α-helix	trans	-63.9	-37.6	-179.7	0	0	0	0	0	111	D84	D84-A86 PolarHBondContact OD2-N 3.22Å
87	T	98.5	Very high	98.3	Very high	18 Å²	18	58.6 Å²	58.6	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-75.9	-40.5	177.5	-54.4	0	0	0	0	112.3	L79 Y81 D84 N85 N89 K90 W94	L79-T87 WeakPolarHBondContact O-CG2 3.39Å; Y81-T87 HydrophobicContact CD2-CG2 4.32Å; D84-T87 PolarHBondContact O-N 3.07Å; D84-T87 VanDerWaalsContact OD2-CB 3.3Å; D84-T87 WeakPolarHBondContact OD2-CB 3.18Å; D84-T87 PolarHBondContact OD2-N 3.36Å; D84-T87 PolarHBondContact OD2-OG1 3.46Å; N85-T87 VanDerWaalsContact C-N 3.26Å; N85-T87 PolarHBondContact O-N 2.95Å; T87-N89 VanDerWaalsContact C-N 3.27Å; T87-N89 PolarHBondContact O-N 3.12Å; T87-K90 HydrophobicContact CG2-CD 4.44Å; T87-K90 WeakPolarHBondContact O-CB 3.48Å; T87-K90 PolarHBondContact O-N 2.84Å; T87-K90 VanDerWaalsContact O-N 3.11Å; T87-W94 HydrophobicContact CG2-CE3 4.24Å; T87-W94 HydrophobicContact CG2-CH2 3.36Å; T87-W94 HydrophobicContact CG2-CZ2 4.29Å; T87-W94 HydrophobicContact CG2-CZ3 3.34Å
88	Y	98.6	Very high	98.4	Very high	67 Å²	67	57.8 Å²	57.8	26%	0.263	30%	0.297	S	S	.	.	H	α-helix	trans	-57.4	-41.4	174.7	-171.6	-111.7	0	0	0	111.9	Y81 D84 N85 K90 G91 R125	Y81-Y88 HydrophobicContact CE1-CD2 4.22Å; Y81-Y88 HydrophobicContact CE1-CE2 4.37Å; Y81-Y88 HydrophobicContact CE2-CD2 4.35Å; Y81-Y88 WeakPolarHBondContact O-CA 3.42Å; Y81-Y88 WeakPolarHBondContact O-CB 3.4Å; Y81-Y88 WeakPolarHBondContact O-CD2 3.31Å; D84-Y88 WeakPolarHBondContact O-CB 3.33Å; D84-Y88 PolarHBondContact O-N 2.99Å; N85-Y88 PolarHBondContact O-N 2.86Å; Y88-K90 PolarHBondContact O-N 2.89Å; Y88-K90 VanDerWaalsContact O-N 3.13Å; Y88-G91 PolarHBondContact O-N 3.01Å; Y88-R125 HydrophobicContact CD2-CG 4.34Å; Y88-R125 HydrophobicContact CE1-CG 4.37Å; Y88-R125 HydrophobicContact CE2-CB 3.88Å; Y88-R125 HydrophobicContact CE2-CG 3.77Å
89	N	98.5	Very high	98.4	Very high	130 Å²	130	53.7 Å²	53.7	70%	0.695	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.8	179.6	-70.2	-9.6	0	0	0	114.3	N85 T87 G91	N85-N89 WeakPolarHBondContact O-CB 3.25Å; N85-N89 PolarHBondContact O-N 3.31Å; N85-N89 PolarHBondContact O-ND2 3.16Å; N85-N89 PolarHBondContact O-OD1 3.27Å; T87-N89 VanDerWaalsContact C-N 3.27Å; T87-N89 PolarHBondContact O-N 3.12Å; N89-G91 PolarHBondContact O-N 2.93Å
90	K	98.6	Very high	98.4	Very high	112 Å²	112	54.7 Å²	54.7	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.7	170.6	-60	177.8	-178.8	169.3	0	112.8	T87 Y88 W94	T87-K90 HydrophobicContact CG2-CD 4.44Å; T87-K90 WeakPolarHBondContact O-CB 3.48Å; T87-K90 PolarHBondContact O-N 2.84Å; T87-K90 VanDerWaalsContact O-N 3.11Å; Y88-K90 PolarHBondContact O-N 2.89Å; Y88-K90 VanDerWaalsContact O-N 3.13Å; K90-W94 HydrophobicContact CB-CB 3.67Å; K90-W94 HydrophobicContact CB-CD2 3.74Å; K90-W94 HydrophobicContact CB-CE3 4Å; K90-W94 HydrophobicContact CB-CG 3.58Å; K90-W94 HydrophobicContact CD-CD2 3.59Å; K90-W94 HydrophobicContact CD-CE3 4.08Å; K90-W94 HydrophobicContact CD-CG 3.92Å; K90-W94 HydrophobicContact CD-CH2 4.43Å; K90-W94 HydrophobicContact CD-CZ2 3.96Å; K90-W94 HydrophobicContact CD-CZ3 4.49Å; K90-W94 HydrophobicContact CG-CD2 4.33Å; K90-W94 HydrophobicContact CG-CG 4.37Å; K90-W94 VanDerWaalsContact O-CB 3.27Å; K90-W94 WeakPolarHBondContact O-CB 3.22Å
91	G	98.3	Very high	98.2	Very high	28 Å²	28	57.2 Å²	57.2	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	81.3	170.4	173.4	0	0	0	0	0	114.7	Y81 Y88 N89 E93 W94 Y95	Y81-G91 PolarHBondContact OH-O 3.34Å; Y88-G91 PolarHBondContact O-N 3.01Å; N89-G91 PolarHBondContact O-N 2.93Å; G91-E93 VanDerWaalsContact C-N 3.3Å; G91-E93 PolarHBondContact O-N 3.43Å; G91-W94 PolarHBondContact O-N 2.99Å; G91-Y95 PolarHBondContact O-N 2.94Å; G91-Y95 VanDerWaalsContact O-N 3.15Å
92	I	98.3	Very high	98.1	Very high	70 Å²	70	56.7 Å²	56.7	36%	0.359	29%	0.294	S	S	.	.	H	α-helix	trans	-66.4	-31.7	-173.8	-167.8	172.7	0	0	0	112.7	L46 Y81 Y95 R96 L129	L46-I92 HydrophobicContact CD1-CD1 3.96Å; L46-I92 HydrophobicContact CD1-CG1 4.27Å; L46-I92 HydrophobicContact CD2-CG1 4.34Å; Y81-I92 PolarHBondContact OH-N 2.7Å; I92-Y95 PolarHBondContact O-N 3.45Å; I92-R96 WeakPolarHBondContact O-CB 3.37Å; I92-R96 PolarHBondContact O-N 3.28Å; I92-L129 HydrophobicContact CD1-CD1 3.53Å; I92-L129 HydrophobicContact CG1-CD1 3.99Å
93	E	98.3	Very high	97.8	Very high	121 Å²	121	60.6 Å²	60.6	57%	0.565	32%	0.315	S	S	*	.	H	α-helix	trans	-65.9	-43.8	178	-62.8	-53.4	118.3	0	0	111.2	G91 R96 S97	G91-E93 VanDerWaalsContact C-N 3.3Å; G91-E93 PolarHBondContact O-N 3.43Å; E93-R96 PolarHBondContact O-N 2.73Å; E93-R96 IonicContact OE1-CZ 3.79Å; E93-R96 IonicContact OE1-NH1 2.63Å; E93-R96 PolarHBondContact OE1-NH1 3.02Å; E93-R96 IonicContact OE1-NH2 3.21Å; E93-R96 PolarHBondContact OE1-NH2 2.85Å; E93-R96 IonicContact OE2-CZ 2.67Å; E93-R96 IonicContact OE2-NH1 2.8Å; E93-R96 PolarHBondContact OE2-NH1 2.81Å; E93-S97 WeakPolarHBondContact O-CB 3.39Å; E93-S97 PolarHBondContact O-N 2.93Å
94	W	98.5	Very high	97.5	Very high	63 Å²	63	63.2 Å²	63.2	24%	0.239	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-49.1	171.3	177	84.3	0	0	0	110.4	L79 Y81 T87 K90 G91 R96 S97 Q98	L79-W94 HydrophobicContact CD2-CH2 4.46Å; Y81-W94 AromaticContact CD2-CE3 3.91Å; Y81-W94 HydrophobicContact CD2-CE3 3.91Å; Y81-W94 AromaticContact CD2-CZ3 3.74Å; Y81-W94 HydrophobicContact CD2-CZ3 3.74Å; Y81-W94 HydrophobicContact CE2-CE3 4.24Å; Y81-W94 HydrophobicContact CG-CZ3 4.45Å; T87-W94 HydrophobicContact CG2-CE3 4.24Å; T87-W94 HydrophobicContact CG2-CH2 3.36Å; T87-W94 HydrophobicContact CG2-CZ2 4.29Å; T87-W94 HydrophobicContact CG2-CZ3 3.34Å; K90-W94 HydrophobicContact CB-CB 3.67Å; K90-W94 HydrophobicContact CB-CD2 3.74Å; K90-W94 HydrophobicContact CB-CE3 4Å; K90-W94 HydrophobicContact CB-CG 3.58Å; K90-W94 HydrophobicContact CD-CD2 3.59Å; K90-W94 HydrophobicContact CD-CE3 4.08Å; K90-W94 HydrophobicContact CD-CG 3.92Å; K90-W94 HydrophobicContact CD-CH2 4.43Å; K90-W94 HydrophobicContact CD-CZ2 3.96Å; K90-W94 HydrophobicContact CD-CZ3 4.49Å; K90-W94 HydrophobicContact CG-CD2 4.33Å; K90-W94 HydrophobicContact CG-CG 4.37Å; K90-W94 VanDerWaalsContact O-CB 3.27Å; K90-W94 WeakPolarHBondContact O-CB 3.22Å; G91-W94 PolarHBondContact O-N 2.99Å; W94-R96 PolarHBondContact O-N 3.21Å; W94-S97 WeakPolarHBondContact O-CB 3.39Å; W94-S97 PolarHBondContact O-N 3.06Å; W94-S97 VanDerWaalsContact O-N 3.09Å; W94-S97 PolarHBondContact O-OG 3.37Å; W94-Q98 HydrophobicContact CD2-CG 4.35Å; W94-Q98 HydrophobicContact CE3-CG 4.47Å; W94-Q98 HydrophobicContact CH2-CG 4.08Å; W94-Q98 HydrophobicContact CZ2-CG 3.95Å; W94-Q98 HydrophobicContact CZ3-CG 4.33Å; W94-Q98 WeakPolarHBondContact O-CG 3.26Å; W94-Q98 PolarHBondContact O-N 3.24Å
95	Y	98.7	Very high	97.2	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-45.1	179.9	-174.9	-126.5	0	0	0	112.4	L46 P47 L79 Y81 F82 G91 I92 S97 Q98 M99 L129	L46-Y95 HydrophobicContact CD2-CD1 3.71Å; L46-Y95 HydrophobicContact CD2-CE1 4.16Å; P47-Y95 HydrophobicContact CG-CE1 3.84Å; P47-Y95 WeakPolarHBondContact CG-OH 3.48Å; L79-Y95 HydrophobicContact CB-CE2 4.37Å; L79-Y95 HydrophobicContact CD1-CD2 3.82Å; L79-Y95 HydrophobicContact CD1-CE2 3.51Å; Y81-Y95 AromaticContact CD1-CD1 3.68Å; Y81-Y95 HydrophobicContact CD1-CD1 3.68Å; Y81-Y95 AromaticContact CD1-CD2 3.52Å; Y81-Y95 HydrophobicContact CD1-CD2 3.52Å; Y81-Y95 AromaticContact CD1-CE1 3.97Å; Y81-Y95 HydrophobicContact CD1-CE1 3.97Å; Y81-Y95 AromaticContact CD1-CE2 3.8Å; Y81-Y95 HydrophobicContact CD1-CE2 3.8Å; Y81-Y95 AromaticContact CD1-CG 3.46Å; Y81-Y95 HydrophobicContact CD1-CG 3.46Å; Y81-Y95 VanDerWaalsContact CD1-CG 3.46Å; Y81-Y95 AromaticContact CD2-CD2 3.98Å; Y81-Y95 HydrophobicContact CD2-CD2 3.98Å; Y81-Y95 HydrophobicContact CD2-CG 4.1Å; Y81-Y95 AromaticContact CE1-CD1 3.72Å; Y81-Y95 HydrophobicContact CE1-CD1 3.72Å; Y81-Y95 HydrophobicContact CE1-CD2 4.21Å; Y81-Y95 HydrophobicContact CE1-CE1 4.32Å; Y81-Y95 AromaticContact CE1-CG 3.66Å; Y81-Y95 HydrophobicContact CE1-CG 3.66Å; Y81-Y95 HydrophobicContact CE2-CG 4.29Å; Y81-Y95 HydrophobicContact CG-CD1 4.38Å; Y81-Y95 AromaticContact CG-CD2 3.39Å; Y81-Y95 HydrophobicContact CG-CD2 3.39Å; Y81-Y95 AromaticContact CG-CE2 3.83Å; Y81-Y95 HydrophobicContact CG-CE2 3.83Å; Y81-Y95 AromaticContact CG-CG 3.7Å; Y81-Y95 HydrophobicContact CG-CG 3.7Å; F82-Y95 HydrophobicContact CE2-CE1 4.25Å; F82-Y95 AromaticContact CE2-CZ 3.85Å; F82-Y95 WeakPolarHBondContact CE2-OH 3.36Å; F82-Y95 AromaticContact CZ-CE1 3.85Å; F82-Y95 HydrophobicContact CZ-CE1 3.85Å; F82-Y95 AromaticContact CZ-CZ 3.92Å; G91-Y95 PolarHBondContact O-N 2.94Å; G91-Y95 VanDerWaalsContact O-N 3.15Å; I92-Y95 PolarHBondContact O-N 3.45Å; Y95-S97 VanDerWaalsContact C-N 3.3Å; Y95-S97 PolarHBondContact O-N 3.31Å; Y95-Q98 WeakPolarHBondContact O-CB 3.41Å; Y95-Q98 PolarHBondContact O-N 3.17Å; Y95-Q98 VanDerWaalsContact O-N 3.11Å; Y95-M99 HydrophobicContact CD1-CE 4.25Å; Y95-M99 HydrophobicContact CD2-CE 3.73Å; Y95-M99 HydrophobicContact CE1-CE 3.98Å; Y95-M99 HydrophobicContact CE2-CE 3.45Å; Y95-M99 VanDerWaalsContact CE2-CE 3.45Å; Y95-M99 HydrophobicContact CG-CE 4.12Å; Y95-M99 WeakPolarHBondContact O-CE 3.29Å; Y95-L129 HydrophobicContact CD1-CD2 4.24Å; Y95-L129 HydrophobicContact CE1-CD2 3.77Å
96	R	98.4	Very high	97	Very high	64 Å²	64	62.9 Å²	62.9	24%	0.242	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-36.7	176.1	-162.3	179.8	-46.5	98.3	0.3	112	R44 L46 I92 E93 W94 Q98 M99	R44-R96 HydrophobicContact CB-CG 4.3Å; R44-R96 WeakPolarHBondContact CB-O 2.99Å; R44-R96 WeakPolarHBondContact CD-O 3.27Å; R44-R96 VanDerWaalsContact O-CD 3.26Å; R44-R96 WeakPolarHBondContact O-CD 3.27Å; R44-R96 VanDerWaalsContact O-CG 3.3Å; R44-R96 WeakPolarHBondContact O-CG 3.36Å; L46-R96 HydrophobicContact CD2-CB 3.93Å; L46-R96 HydrophobicContact CD2-CG 4.13Å; L46-R96 HydrophobicContact CG-CG 4.27Å; I92-R96 WeakPolarHBondContact O-CB 3.37Å; I92-R96 PolarHBondContact O-N 3.28Å; E93-R96 PolarHBondContact O-N 2.73Å; E93-R96 IonicContact OE1-CZ 3.79Å; E93-R96 IonicContact OE1-NH1 2.63Å; E93-R96 PolarHBondContact OE1-NH1 3.02Å; E93-R96 IonicContact OE1-NH2 3.21Å; E93-R96 PolarHBondContact OE1-NH2 2.85Å; E93-R96 IonicContact OE2-CZ 2.67Å; E93-R96 IonicContact OE2-NH1 2.8Å; E93-R96 PolarHBondContact OE2-NH1 2.81Å; W94-R96 PolarHBondContact O-N 3.21Å; R96-Q98 PolarHBondContact O-N 3.05Å; R96-M99 WeakPolarHBondContact O-CB 3.43Å; R96-M99 WeakPolarHBondContact O-CG 3.3Å; R96-M99 PolarHBondContact O-N 2.74Å
97	S	98	Very high	96.9	Very high	42 Å²	42	60.1 Å²	60.1	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-22.2	177	80.8	0	0	0	0	113.4	R44 E93 W94 Y95 M99	R44-S97 WeakPolarHBondContact CD-O 3.44Å; R44-S97 PolarHBondContact NE-O 3.36Å; R44-S97 VanDerWaalsContact NE-O 3.16Å; R44-S97 PolarHBondContact NH1-O 2.65Å; E93-S97 WeakPolarHBondContact O-CB 3.39Å; E93-S97 PolarHBondContact O-N 2.93Å; W94-S97 WeakPolarHBondContact O-CB 3.39Å; W94-S97 PolarHBondContact O-N 3.06Å; W94-S97 VanDerWaalsContact O-N 3.09Å; W94-S97 PolarHBondContact O-OG 3.37Å; Y95-S97 VanDerWaalsContact C-N 3.3Å; Y95-S97 PolarHBondContact O-N 3.31Å; S97-M99 VanDerWaalsContact C-N 3.31Å
98	Q	98.4	Very high	96.9	Very high	57 Å²	57	60 Å²	60	27%	0.266	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.1	177.4	-54.1	-54.3	-65.7	0	0	113.2	L79 W94 Y95 R96	L79-Q98 HydrophobicContact CD1-CB 3.64Å; L79-Q98 HydrophobicContact CD1-CG 4.2Å; L79-Q98 HydrophobicContact CD2-CB 3.82Å; L79-Q98 HydrophobicContact CD2-CG 3.88Å; L79-Q98 HydrophobicContact CG-CB 4.43Å; W94-Q98 HydrophobicContact CD2-CG 4.35Å; W94-Q98 HydrophobicContact CE3-CG 4.47Å; W94-Q98 HydrophobicContact CH2-CG 4.08Å; W94-Q98 HydrophobicContact CZ2-CG 3.95Å; W94-Q98 HydrophobicContact CZ3-CG 4.33Å; W94-Q98 WeakPolarHBondContact O-CG 3.26Å; W94-Q98 PolarHBondContact O-N 3.24Å; Y95-Q98 WeakPolarHBondContact O-CB 3.41Å; Y95-Q98 PolarHBondContact O-N 3.17Å; Y95-Q98 VanDerWaalsContact O-N 3.11Å; R96-Q98 PolarHBondContact O-N 3.05Å
99	M	98.1	Very high	96.9	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	29%	0.291	C	S	.	.	S	Bend	trans	-77.9	148.9	-176.6	-57	-60.4	134.9	0	0	111.7	R44 R45 P47 V75 L79 Y95 R96 S97 V109	R44-M99 HydrophobicContact CB-CB 4.24Å; R44-M99 WeakPolarHBondContact CD-O 3.38Å; R44-M99 VanDerWaalsContact CG-O 3.26Å; R44-M99 WeakPolarHBondContact CG-O 3.32Å; R44-M99 PolarHBondContact NE-O 3.32Å; R44-M99 VanDerWaalsContact NE-O 3.09Å; R45-M99 WeakPolarHBondContact O-CB 3.49Å; R45-M99 VanDerWaalsContact O-CG 3.25Å; R45-M99 WeakPolarHBondContact O-CG 3.06Å; P47-M99 HydrophobicContact CB-SD 4.47Å; P47-M99 HydrophobicContact CG-CE 4.29Å; P47-M99 HydrophobicContact CG-SD 4.09Å; V75-M99 HydrophobicContact CG2-CE 4.16Å; V75-M99 HydrophobicContact CG2-SD 3.52Å; V75-M99 VanDerWaalsContact CG2-SD 3.52Å; L79-M99 HydrophobicContact CD1-CE 3.57Å; Y95-M99 HydrophobicContact CD1-CE 4.25Å; Y95-M99 HydrophobicContact CD2-CE 3.73Å; Y95-M99 HydrophobicContact CE1-CE 3.98Å; Y95-M99 HydrophobicContact CE2-CE 3.45Å; Y95-M99 VanDerWaalsContact CE2-CE 3.45Å; Y95-M99 HydrophobicContact CG-CE 4.12Å; Y95-M99 WeakPolarHBondContact O-CE 3.29Å; R96-M99 WeakPolarHBondContact O-CB 3.43Å; R96-M99 WeakPolarHBondContact O-CG 3.3Å; R96-M99 PolarHBondContact O-N 2.74Å; S97-M99 VanDerWaalsContact C-N 3.31Å; M99-V109 HydrophobicContact CB-CG1 4.48Å; M99-V109 HydrophobicContact SD-CG1 3.86Å
100	P	96.9	Very high	96.9	Very high	33 Å²	33	50.7 Å²	50.7	21%	0.214	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-64.2	156.3	171.5	28.6	-35.4	0	0	0	111.1	R73 V109	R73-P100 HydrophobicContact CB-CB 4.23Å; R73-P100 HydrophobicContact CB-CG 3.66Å; P100-V109 HydrophobicContact CG-CG1 4.13Å; P100-V109 HydrophobicContact CG-CG2 4.49Å
101	F	96.2	Very high	96.9	Very high	118 Å²	118	45.3 Å²	45.3	52%	0.518	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.4	168.4	-74.8	-77.8	0	0	0	110.5	A42 R44	A42-F101 HydrophobicContact CB-CB 4.12Å; A42-F101 HydrophobicContact CB-CD1 4.19Å; A42-F101 HydrophobicContact CB-CG 4.5Å; A42-F101 WeakPolarHBondContact O-CD1 2.97Å; R44-F101 HydrophobicContact CG-CD1 4.08Å; R44-F101 HydrophobicContact CG-CE1 4.04Å; R44-F101 HydrophobicContact CG-CG 4.44Å; R44-F101 HydrophobicContact CG-CZ 4.35Å
102	T	95.6	Very high	96.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.6	176.8	48.8	0	0	0	0	108.2	A42 R43 R45 R73 I107 V109	A42-T102 WeakPolarHBondContact CA-O 3.47Å; R43-T102 PolarHBondContact N-O 3.09Å; R43-T102 PolarHBondContact O-N 3.38Å; R43-T102 PolarHBondContact O-OG1 3.2Å; R45-T102 VanDerWaalsContact CD-OG1 3.31Å; R45-T102 WeakPolarHBondContact CD-OG1 3.35Å; R45-T102 WeakPolarHBondContact CG-OG1 3.39Å; R45-T102 PolarHBondContact NH1-O 2.94Å; R45-T102 PolarHBondContact NH1-OG1 3.43Å; R73-T102 HydrophobicContact CB-CG2 4.41Å; R73-T102 HydrophobicContact CG-CG2 4.15Å; T102-I107 HydrophobicContact CG2-CB 4.07Å; T102-I107 HydrophobicContact CG2-CD1 4.38Å; T102-I107 HydrophobicContact CG2-CG2 3.54Å; T102-V109 HydrophobicContact CG2-CG2 3.62Å
103	D	91.8	Very high	96.9	Very high	81 Å²	81	40.7 Å²	40.7	43%	0.433	20%	0.204	S	C	.	.	S	Bend	trans	-84.4	-38.7	176.7	51.4	-8.6	0	0	0	110.8	I107	D103-I107 WeakPolarHBondContact OD1-CD1 3.37Å
104	Q	92.2	Very high	96.9	Very high	95 Å²	95	35.3 Å²	35.3	44%	0.444	18%	0.179	S	C	.	.	S	Bend	trans	-104.4	146.4	-177.7	-58.5	177.6	-7.2	0	0	113	R45 D106 I107	R45-Q104 VanDerWaalsContact CZ-O 3.28Å; R45-Q104 PolarHBondContact NH2-O 2.83Å; Q104-D106 WeakPolarHBondContact CB-OD1 3.46Å; Q104-I107 HydrophobicContact CB-CD1 4.1Å; Q104-I107 HydrophobicContact CB-CG1 4.12Å
105	P	91.3	Very high	96.9	Very high	79 Å²	79	33.6 Å²	33.6	51%	0.513	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-24.7	-178.7	30	-34.4	0	0	0	114.9	I107	P105-I107 VanDerWaalsContact C-N 3.31Å
106	D	94.4	Very high	96.9	Very high	71 Å²	71	33.6 Å²	33.6	38%	0.38	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.9	-179.4	63	-45.9	0	0	0	113.2	K71 Q104 V108	K71-D106 VanDerWaalsContact CE-OD2 3.27Å; K71-D106 WeakPolarHBondContact CE-OD2 3.4Å; K71-D106 IonicContact NZ-OD2 2.69Å; K71-D106 PolarHBondContact NZ-OD2 3.06Å; Q104-D106 WeakPolarHBondContact CB-OD1 3.46Å; D106-V108 PolarHBondContact O-N 2.66Å
107	I	97.2	Very high	96.9	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.046	17%	0.167	C	C	.	.			trans	-69.6	126.2	170	-71.5	174	0	0	0	109.9	K71 R73 T102 D103 Q104 P105 V109	K71-I107 CarbonylContact O-C 3.6Å; K71-I107 WeakPolarHBondContact O-CA 3.4Å; R73-I107 HydrophobicContact CB-CG2 4.03Å; R73-I107 HydrophobicContact CG-CG2 3.56Å; T102-I107 HydrophobicContact CG2-CB 4.07Å; T102-I107 HydrophobicContact CG2-CD1 4.38Å; T102-I107 HydrophobicContact CG2-CG2 3.54Å; D103-I107 WeakPolarHBondContact OD1-CD1 3.37Å; Q104-I107 HydrophobicContact CB-CD1 4.1Å; Q104-I107 HydrophobicContact CB-CG1 4.12Å; P105-I107 VanDerWaalsContact C-N 3.31Å; I107-V109 PolarHBondContact O-N 2.68Å
108	V	98.3	Very high	96.9	Very high	16 Å²	16	29.9 Å²	29.9	10%	0.097	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	114	172.4	-179.7	0	0	0	0	108.8	C49 K71 I72 R73 D106 V110 L229 L231	C49-V108 HydrophobicContact CB-CG1 4Å; K71-V108 PolarHBondContact O-N 3.12Å; I72-V108 WeakPolarHBondContact CA-O 3.03Å; I72-V108 HydrophobicContact CG1-CB 4.38Å; R73-V108 PolarHBondContact N-O 2.87Å; D106-V108 PolarHBondContact O-N 2.66Å; V108-V110 HydrophobicContact CG1-CG2 3.88Å; V108-L229 HydrophobicContact CG1-CD1 4.45Å; V108-L229 HydrophobicContact CG1-CD2 4.43Å; V108-L231 HydrophobicContact CG2-CD1 4.29Å; V108-L231 HydrophobicContact CG2-CD2 4.21Å
109	V	98.6	Very high	96.9	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.6	170.7	177.2	0	0	0	0	108.5	R45 P47 S48 C49 R73 V75 M99 P100 T102 I107	R45-V109 HydrophobicContact CB-CG2 4.48Å; P47-V109 VanDerWaalsContact CA-O 3.23Å; P47-V109 WeakPolarHBondContact CA-O 3.37Å; P47-V109 HydrophobicContact CB-CG1 4.18Å; P47-V109 WeakPolarHBondContact CB-O 3.49Å; S48-V109 PolarHBondContact N-O 3.19Å; C49-V109 PolarHBondContact N-O 2.97Å; R73-V109 CarbonylContact O-C 3.59Å; R73-V109 VanDerWaalsContact O-CA 3.31Å; R73-V109 WeakPolarHBondContact O-CA 3.38Å; V75-V109 HydrophobicContact CG2-CG1 4.41Å; M99-V109 HydrophobicContact CB-CG1 4.48Å; M99-V109 HydrophobicContact SD-CG1 3.86Å; P100-V109 HydrophobicContact CG-CG1 4.13Å; P100-V109 HydrophobicContact CG-CG2 4.49Å; T102-V109 HydrophobicContact CG2-CG2 3.62Å; I107-V109 PolarHBondContact O-N 2.68Å
110	V	98.8	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.4	-177.3	-174.3	0	0	0	0	110.1	C49 I51 L63 I72 R73 I74 V75 V108	C49-V110 HydrophobicContact CB-CG2 4.11Å; C49-V110 WeakPolarHBondContact O-CA 3.47Å; I51-V110 HydrophobicContact CD1-CG1 3.78Å; I51-V110 HydrophobicContact CG1-CG1 3.81Å; L63-V110 HydrophobicContact CD1-CB 4.29Å; L63-V110 HydrophobicContact CD1-CG1 3.83Å; I72-V110 HydrophobicContact CG2-CG2 3.8Å; R73-V110 PolarHBondContact O-N 3.38Å; I74-V110 WeakPolarHBondContact CA-O 3.32Å; I74-V110 HydrophobicContact CG2-CB 4.41Å; V75-V110 PolarHBondContact N-O 2.67Å; V108-V110 HydrophobicContact CG1-CG2 3.88Å
111	E	98.6	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	152.5	168.3	-173.3	-79.6	172.1	0	0	109.8	P47 C49 L50 I51 V75 L79 T113 Y116	P47-E111 HydrophobicContact CB-CB 4.22Å; P47-E111 HydrophobicContact CG-CB 4.26Å; C49-E111 PolarHBondContact O-N 3.38Å; C49-E111 VanDerWaalsContact O-N 3.14Å; L50-E111 CarbonylContact C-O 3.6Å; L50-E111 WeakPolarHBondContact CA-O 3.37Å; L50-E111 HydrophobicContact CD2-CB 3.8Å; L50-E111 WeakPolarHBondContact CD2-OE2 3.5Å; I51-E111 PolarHBondContact N-O 3.06Å; V75-E111 HydrophobicContact CB-CB 4.28Å; V75-E111 HydrophobicContact CB-CG 4.22Å; V75-E111 HydrophobicContact CG1-CG 4.46Å; V75-E111 HydrophobicContact CG2-CB 4.03Å; V75-E111 HydrophobicContact CG2-CG 4.28Å; L79-E111 HydrophobicContact CD1-CG 4Å; L79-E111 HydrophobicContact CG-CG 4.31Å; E111-T113 WeakPolarHBondContact OE1-CB 3.35Å; E111-T113 PolarHBondContact OE1-OG1 3.03Å; E111-T113 PolarHBondContact OE2-N 3.38Å; E111-Y116 PolarHBondContact OE1-OH 2.88Å; E111-Y116 WeakPolarHBondContact OE2-CE2 3.19Å
112	K	98.5	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	117.8	177.2	177.2	-145	61.8	52.7	0	110.7	I51 T59 L63 E78	I51-K112 HydrophobicContact CB-CB 3.83Å; I51-K112 HydrophobicContact CB-CG 3.72Å; I51-K112 HydrophobicContact CD1-CB 4.34Å; I51-K112 HydrophobicContact CD1-CG 4.5Å; I51-K112 HydrophobicContact CG2-CB 4.48Å; I51-K112 HydrophobicContact CG2-CG 3.82Å; I51-K112 WeakPolarHBondContact O-CA 3.39Å; T59-K112 VanDerWaalsContact C-CD 3.46Å; T59-K112 VanDerWaalsContact O-CD 3.25Å; T59-K112 WeakPolarHBondContact O-CD 3.39Å; L63-K112 HydrophobicContact CB-CB 4.46Å; L63-K112 HydrophobicContact CB-CD 4.07Å; L63-K112 HydrophobicContact CD1-CB 4.03Å; L63-K112 HydrophobicContact CD2-CB 4.03Å; L63-K112 HydrophobicContact CD2-CD 4.09Å; L63-K112 HydrophobicContact CG-CB 4.4Å; E78-K112 VanDerWaalsContact CG-NZ 3.28Å; E78-K112 IonicContact OE1-NZ 2.71Å; E78-K112 PolarHBondContact OE1-NZ 3.4Å
113	T	98.5	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.161	C	C	.	.			trans	-136.1	108.7	164.1	-65.2	0	0	0	0	110.8	I51 E78 L79 H80 E111 A115 Y116	I51-T113 PolarHBondContact O-N 3.17Å; E78-T113 HydrophobicContact CB-CG2 4.46Å; L79-T113 PolarHBondContact N-OG1 3.43Å; L79-T113 VanDerWaalsContact N-OG1 3.11Å; H80-T113 PolarHBondContact N-OG1 3.41Å; E111-T113 WeakPolarHBondContact OE1-CB 3.35Å; E111-T113 PolarHBondContact OE1-OG1 3.03Å; E111-T113 PolarHBondContact OE2-N 3.38Å; T113-A115 HydrophobicContact CG2-CB 4Å; T113-A115 PolarHBondContact O-N 3.38Å; T113-A115 VanDerWaalsContact O-N 3.11Å; T113-Y116 VanDerWaalsContact CB-CE2 3.49Å; T113-Y116 HydrophobicContact CG2-CD1 3.84Å; T113-Y116 HydrophobicContact CG2-CE1 3.64Å; T113-Y116 HydrophobicContact CG2-CE2 4.39Å; T113-Y116 HydrophobicContact CG2-CG 4.29Å; T113-Y116 WeakPolarHBondContact O-CB 3.46Å; T113-Y116 WeakPolarHBondContact O-CD2 3.32Å; T113-Y116 VanDerWaalsContact O-CG 3.31Å; T113-Y116 PolarHBondContact O-N 3.22Å; T113-Y116 VanDerWaalsContact O-N 3.14Å; T113-Y116 PolarHBondContact OG1-OH 3.2Å
114	P	98	Very high	97.6	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.052	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.8	-177.6	-28.5	38.9	0	0	0	115.3	I52 G53 R55 T59 Y116	I52-P114 CarbonylContact O-C 3.57Å; I52-P114 WeakPolarHBondContact O-CA 3.19Å; G53-P114 WeakPolarHBondContact O-CA 3.45Å; G53-P114 WeakPolarHBondContact O-CB 3.31Å; R55-P114 HydrophobicContact CB-CB 4.37Å; T59-P114 HydrophobicContact CG2-CG 4.19Å; T59-P114 VanDerWaalsContact OG1-CG 3.29Å; T59-P114 WeakPolarHBondContact OG1-CG 3.12Å; P114-Y116 PolarHBondContact O-N 3.29Å
115	A	98.1	Very high	97.9	Very high	28 Å²	28	25.4 Å²	25.4	23%	0.231	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.7	178.7	0	0	0	0	0	112.3	D83 T113 F117 V118 S119	D83-A115 WeakPolarHBondContact OD2-CB 3.35Å; T113-A115 HydrophobicContact CG2-CB 4Å; T113-A115 PolarHBondContact O-N 3.38Å; T113-A115 VanDerWaalsContact O-N 3.11Å; A115-F117 VanDerWaalsContact C-N 3.32Å; A115-F117 PolarHBondContact O-N 3.1Å; A115-V118 PolarHBondContact O-N 3.16Å; A115-S119 PolarHBondContact O-N 3.18Å
116	Y	98.8	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-43.5	177.3	-62.6	-18.7	0	0	0	111.7	L50 I52 Y81 F82 D83 E111 T113 P114 V118 S119 A122 W197	L50-Y116 HydrophobicContact CD1-CD2 4.5Å; L50-Y116 HydrophobicContact CD1-CE2 4.44Å; I52-Y116 HydrophobicContact CG2-CD2 4.17Å; Y81-Y116 PolarHBondContact N-OH 3.07Å; Y81-Y116 VanDerWaalsContact N-OH 3.11Å; F82-Y116 HydrophobicContact CB-CD1 4.05Å; F82-Y116 HydrophobicContact CB-CE1 3.8Å; F82-Y116 HydrophobicContact CD2-CD2 4.23Å; F82-Y116 HydrophobicContact CD2-CE1 4.02Å; F82-Y116 AromaticContact CD2-CE2 3.58Å; F82-Y116 HydrophobicContact CD2-CE2 3.58Å; F82-Y116 AromaticContact CD2-CZ 3.49Å; F82-Y116 VanDerWaalsContact CD2-CZ 3.49Å; F82-Y116 HydrophobicContact CE2-CE2 4.25Å; F82-Y116 HydrophobicContact CG-CE1 4.39Å; D83-Y116 HydrophobicContact CB-CD1 3.98Å; D83-Y116 HydrophobicContact CB-CE1 4.4Å; D83-Y116 VanDerWaalsContact OD1-CD1 3.32Å; D83-Y116 WeakPolarHBondContact OD1-CD1 3.4Å; D83-Y116 WeakPolarHBondContact OD1-CE1 3.44Å; E111-Y116 PolarHBondContact OE1-OH 2.88Å; E111-Y116 WeakPolarHBondContact OE2-CE2 3.19Å; T113-Y116 VanDerWaalsContact CB-CE2 3.49Å; T113-Y116 HydrophobicContact CG2-CD1 3.84Å; T113-Y116 HydrophobicContact CG2-CE1 3.64Å; T113-Y116 HydrophobicContact CG2-CE2 4.39Å; T113-Y116 HydrophobicContact CG2-CG 4.29Å; T113-Y116 WeakPolarHBondContact O-CB 3.46Å; T113-Y116 WeakPolarHBondContact O-CD2 3.32Å; T113-Y116 VanDerWaalsContact O-CG 3.31Å; T113-Y116 PolarHBondContact O-N 3.22Å; T113-Y116 VanDerWaalsContact O-N 3.14Å; T113-Y116 PolarHBondContact OG1-OH 3.2Å; P114-Y116 PolarHBondContact O-N 3.29Å; Y116-V118 VanDerWaalsContact C-N 3.26Å; Y116-V118 PolarHBondContact O-N 3.22Å; Y116-V118 VanDerWaalsContact O-N 3.15Å; Y116-S119 WeakPolarHBondContact O-CB 3.39Å; Y116-S119 PolarHBondContact O-N 3.45Å; Y116-S119 VanDerWaalsContact O-N 3.07Å; Y116-A122 HydrophobicContact CD1-CB 4.33Å; Y116-A122 HydrophobicContact CG-CB 4.48Å; Y116-W197 WeakPolarHBondContact O-CZ2 3.49Å; Y116-W197 PolarHBondContact O-NE1 3.15Å
117	F	98.7	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.1	-174.8	-179.6	-133.3	0	0	0	113.1	I52 A54 A115 L137 Y190 H193 L194 W197	I52-F117 HydrophobicContact CB-CB 4.41Å; I52-F117 HydrophobicContact CD1-CD2 4.08Å; I52-F117 HydrophobicContact CG1-CB 4.42Å; I52-F117 WeakPolarHBondContact O-CB 3.47Å; I52-F117 PolarHBondContact O-N 2.94Å; A54-F117 HydrophobicContact CB-CD1 4.19Å; A54-F117 HydrophobicContact CB-CE1 4.45Å; A115-F117 VanDerWaalsContact C-N 3.32Å; A115-F117 PolarHBondContact O-N 3.1Å; F117-L137 HydrophobicContact CD1-CD1 3.98Å; F117-L137 HydrophobicContact CD2-CD1 3.74Å; F117-L137 HydrophobicContact CD2-CD2 4.28Å; F117-L137 HydrophobicContact CE1-CD1 3.89Å; F117-L137 HydrophobicContact CE2-CD1 3.67Å; F117-L137 HydrophobicContact CE2-CD2 3.56Å; F117-L137 HydrophobicContact CE2-CG 4.28Å; F117-L137 HydrophobicContact CG-CD1 3.9Å; F117-L137 HydrophobicContact CZ-CD1 3.74Å; F117-L137 HydrophobicContact CZ-CD2 3.81Å; F117-L137 HydrophobicContact CZ-CG 4.44Å; F117-Y190 AromaticContact CE1-CD1 3.73Å; F117-Y190 HydrophobicContact CE1-CD1 3.73Å; F117-Y190 HydrophobicContact CE1-CE1 4.42Å; F117-Y190 HydrophobicContact CE1-CG 4.34Å; F117-Y190 HydrophobicContact CZ-CD1 4.41Å; F117-H193 HydrophobicContact CD1-CB 4.16Å; F117-H193 HydrophobicContact CD2-CB 3.93Å; F117-H193 HydrophobicContact CE1-CB 3.83Å; F117-H193 HydrophobicContact CE2-CB 3.56Å; F117-H193 HydrophobicContact CG-CB 4.21Å; F117-H193 HydrophobicContact CZ-CB 3.52Å; F117-H193 WeakPolarHBondContact O-CB 3.48Å; F117-L194 HydrophobicContact CE2-CB 4.38Å; F117-W197 AromaticContact CD2-CD1 3.85Å; F117-W197 AromaticContact CD2-NE1 3.96Å; F117-W197 PolarHBondContact O-NE1 2.81Å; F117-W197 VanDerWaalsContact O-NE1 3.07Å
118	V	98.2	Very high	98.5	Very high	28 Å²	28	28.3 Å²	28.3	17%	0.17	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-12.7	-177.7	-55.3	0	0	0	0	113.7	A115 Y116 N187 R196	A115-V118 PolarHBondContact O-N 3.16Å; Y116-V118 VanDerWaalsContact C-N 3.26Å; Y116-V118 PolarHBondContact O-N 3.22Å; Y116-V118 VanDerWaalsContact O-N 3.15Å; V118-N187 HydrophobicContact CG1-CB 4.08Å; V118-R196 PolarHBondContact O-NH1 3.15Å
119	S	98.3	Very high	98.5	Very high	16 Å²	16	29.6 Å²	29.6	11%	0.112	16%	0.156	C	C	.	.			trans	-62.4	141.8	179.2	177.1	0	0	0	0	111.4	A115 Y116 V121 A122 R196	A115-S119 PolarHBondContact O-N 3.18Å; Y116-S119 WeakPolarHBondContact O-CB 3.39Å; Y116-S119 PolarHBondContact O-N 3.45Å; Y116-S119 VanDerWaalsContact O-N 3.07Å; S119-V121 WeakPolarHBondContact OG-CG2 3.23Å; S119-V121 PolarHBondContact OG-N 3.34Å; S119-A122 PolarHBondContact OG-N 2.03Å; S119-A122 VanDerWaalsContact OG-N 3.14Å; S119-R196 WeakPolarHBondContact O-CD 3.35Å; S119-R196 PolarHBondContact O-NH1 3.14Å
120	T	98.2	Very high	98.5	Very high	98 Å²	98	31.2 Å²	31.2	60%	0.601	17%	0.165	S	C	*	.	S	Bend	trans	-83.1	-24.3	175.8	48.2	0	0	0	0	112.5
121	V	98.6	Very high	98.5	Very high	48 Å²	48	34.3 Å²	34.3	29%	0.291	19%	0.185	S	C	.	.	S	Bend	trans	-105.1	-20.7	-174.5	-62.2	0	0	0	0	113.7	S119 R125	S119-V121 WeakPolarHBondContact OG-CG2 3.23Å; S119-V121 PolarHBondContact OG-N 3.34Å; V121-R125 WeakPolarHBondContact O-CG 3.4Å; V121-R125 PolarHBondContact O-N 3.06Å
122	A	98.8	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-42.6	-176.4	0	0	0	0	0	114.1	F82 Y116 S119 E124 R125 V126 W197	F82-A122 HydrophobicContact CB-CB 3.88Å; F82-A122 WeakPolarHBondContact O-CA 3.47Å; Y116-A122 HydrophobicContact CD1-CB 4.33Å; Y116-A122 HydrophobicContact CG-CB 4.48Å; S119-A122 PolarHBondContact OG-N 2.03Å; S119-A122 VanDerWaalsContact OG-N 3.14Å; A122-E124 VanDerWaalsContact C-N 3.34Å; A122-E124 PolarHBondContact O-N 2.95Å; A122-R125 PolarHBondContact O-N 3.18Å; A122-V126 VanDerWaalsContact O-CG2 3.26Å; A122-V126 WeakPolarHBondContact O-CG2 3.31Å; A122-V126 PolarHBondContact O-N 3.49Å; A122-W197 HydrophobicContact CB-CH2 4.39Å; A122-W197 HydrophobicContact CB-CZ2 4.11Å
123	P	98.8	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.2	-46	-178.6	-26.3	34.9	0	0	0	113.3	V126 R127 R196 W197 Y200 F201	P123-V126 PolarHBondContact O-N 2.95Å; P123-R127 WeakPolarHBondContact O-CB 3.33Å; P123-R127 PolarHBondContact O-N 3.08Å; P123-R196 HydrophobicContact CG-CG 4.16Å; P123-W197 HydrophobicContact CB-CD2 4.18Å; P123-W197 HydrophobicContact CB-CE3 4.16Å; P123-W197 HydrophobicContact CB-CZ3 4.45Å; P123-W197 HydrophobicContact CG-CD2 3.81Å; P123-W197 HydrophobicContact CG-CE3 4.26Å; P123-W197 HydrophobicContact CG-CG 4.11Å; P123-W197 HydrophobicContact CG-CZ2 4.05Å; P123-Y200 HydrophobicContact CB-CD2 3.46Å; P123-Y200 VanDerWaalsContact CB-CD2 3.46Å; P123-Y200 HydrophobicContact CB-CE2 3.96Å; P123-Y200 HydrophobicContact CB-CG 3.9Å; P123-F201 WeakPolarHBondContact O-CE2 3.47Å
124	E	98.8	Very high	98.5	Very high	98 Å²	98	40.5 Å²	40.5	46%	0.458	22%	0.222	S	C	.	.	H	α-helix	trans	-63.1	-48.4	178.5	-175.6	176.7	-158.3	0	0	111.6	A122 V126 R127 L128 Y200	A122-E124 VanDerWaalsContact C-N 3.34Å; A122-E124 PolarHBondContact O-N 2.95Å; E124-V126 VanDerWaalsContact C-N 3.33Å; E124-V126 PolarHBondContact O-N 3Å; E124-R127 WeakPolarHBondContact O-CB 3.38Å; E124-R127 PolarHBondContact O-N 2.89Å; E124-R127 VanDerWaalsContact O-N 3.09Å; E124-L128 HydrophobicContact CG-CD1 4.26Å; E124-L128 WeakPolarHBondContact O-CG 3.49Å; E124-L128 PolarHBondContact O-N 2.85Å; E124-Y200 HydrophobicContact CB-CD1 4.17Å; E124-Y200 HydrophobicContact CB-CE1 3.49Å; E124-Y200 VanDerWaalsContact CB-CE1 3.49Å; E124-Y200 HydrophobicContact CG-CE1 3.82Å
125	R	98.8	Very high	98.6	Very high	33 Å²	33	40.1 Å²	40.1	13%	0.125	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-39.1	-179.8	-67.4	172.4	167	169.7	-1.2	112.7	F82 N85 Y88 V121 A122 R127 L128 L129	F82-R125 HydrophobicContact CB-CB 4.38Å; F82-R125 HydrophobicContact CD1-CB 3.77Å; F82-R125 VanDerWaalsContact O-CD 3.23Å; F82-R125 WeakPolarHBondContact O-CD 3.24Å; F82-R125 PolarHBondContact O-NH1 3.19Å; F82-R125 VanDerWaalsContact O-NH1 3.09Å; N85-R125 PolarHBondContact OD1-NH1 2.79Å; N85-R125 PolarHBondContact OD1-NH2 2.9Å; Y88-R125 HydrophobicContact CD2-CG 4.34Å; Y88-R125 HydrophobicContact CE1-CG 4.37Å; Y88-R125 HydrophobicContact CE2-CB 3.88Å; Y88-R125 HydrophobicContact CE2-CG 3.77Å; V121-R125 WeakPolarHBondContact O-CG 3.4Å; V121-R125 PolarHBondContact O-N 3.06Å; A122-R125 PolarHBondContact O-N 3.18Å; R125-R127 VanDerWaalsContact C-N 3.33Å; R125-L128 PolarHBondContact O-N 3.22Å; R125-L129 PolarHBondContact O-N 3.32Å; R125-L129 VanDerWaalsContact O-N 3.11Å
126	V	98.9	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-42.6	174	177.4	0	0	0	0	110	L50 F82 A122 P123 E124 L128 L129 D130 M133 L135 W197 F201	L50-V126 HydrophobicContact CD1-CB 4.3Å; L50-V126 HydrophobicContact CD1-CG1 3.6Å; L50-V126 HydrophobicContact CD1-CG2 3.56Å; F82-V126 HydrophobicContact CB-CG2 4.03Å; F82-V126 HydrophobicContact CD1-CG2 3.79Å; F82-V126 HydrophobicContact CD2-CG2 3.5Å; F82-V126 VanDerWaalsContact CD2-CG2 3.5Å; F82-V126 HydrophobicContact CE1-CG2 4.04Å; F82-V126 HydrophobicContact CE2-CG2 3.8Å; F82-V126 HydrophobicContact CG-CG2 3.5Å; F82-V126 VanDerWaalsContact CG-CG2 3.5Å; F82-V126 HydrophobicContact CZ-CG2 4.04Å; A122-V126 VanDerWaalsContact O-CG2 3.26Å; A122-V126 WeakPolarHBondContact O-CG2 3.31Å; A122-V126 PolarHBondContact O-N 3.49Å; P123-V126 PolarHBondContact O-N 2.95Å; E124-V126 VanDerWaalsContact C-N 3.33Å; E124-V126 PolarHBondContact O-N 3Å; V126-L128 VanDerWaalsContact C-N 3.31Å; V126-L128 PolarHBondContact O-N 3.21Å; V126-L129 PolarHBondContact O-N 3.21Å; V126-D130 PolarHBondContact O-N 2.91Å; V126-M133 HydrophobicContact CG1-CB 4.01Å; V126-M133 HydrophobicContact CG1-CE 4.44Å; V126-M133 HydrophobicContact CG1-CG 3.66Å; V126-L135 HydrophobicContact CG1-CD2 4.4Å; V126-W197 HydrophobicContact CB-CZ3 4.39Å; V126-W197 HydrophobicContact CG2-CH2 4.04Å; V126-W197 HydrophobicContact CG2-CZ3 4.35Å; V126-F201 HydrophobicContact CB-CE2 4.3Å; V126-F201 HydrophobicContact CB-CZ 4.05Å; V126-F201 HydrophobicContact CG1-CE2 4.2Å; V126-F201 HydrophobicContact CG1-CZ 3.64Å
127	R	98.7	Very high	98.6	Very high	100 Å²	100	38.8 Å²	38.8	38%	0.377	21%	0.208	S	C	.	.	H	α-helix	trans	-65.9	-33.1	-179.7	-179.4	61.6	-173.2	71.9	-1.6	112.9	P123 E124 R125 P131 Y200 F201	P123-R127 WeakPolarHBondContact O-CB 3.33Å; P123-R127 PolarHBondContact O-N 3.08Å; E124-R127 WeakPolarHBondContact O-CB 3.38Å; E124-R127 PolarHBondContact O-N 2.89Å; E124-R127 VanDerWaalsContact O-N 3.09Å; R125-R127 VanDerWaalsContact C-N 3.33Å; R127-P131 VanDerWaalsContact CZ-CB 3.44Å; R127-Y200 HydrophobicContact CB-CD1 4.2Å; R127-Y200 WeakPolarHBondContact CD-O 3.34Å; R127-Y200 HydrophobicContact CG-CD1 4.35Å; R127-F201 HydrophobicContact CB-CE1 4.41Å; R127-F201 HydrophobicContact CB-CE2 4.02Å; R127-F201 HydrophobicContact CB-CZ 3.7Å; R127-F201 HydrophobicContact CG-CZ 4.5Å
128	L	98.5	Very high	98.6	Very high	121 Å²	121	38.8 Å²	38.8	63%	0.634	21%	0.208	S	C	*	.	H	α-helix	trans	-70.2	-37.3	173.3	-72.9	172.2	0	0	0	112.1	E124 R125 V126	E124-L128 HydrophobicContact CG-CD1 4.26Å; E124-L128 WeakPolarHBondContact O-CG 3.49Å; E124-L128 PolarHBondContact O-N 2.85Å; R125-L128 PolarHBondContact O-N 3.22Å; V126-L128 VanDerWaalsContact C-N 3.31Å; V126-L128 PolarHBondContact O-N 3.21Å
129	L	98.4	Very high	98.6	Very high	43 Å²	43	37.4 Å²	37.4	23%	0.225	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-49.9	175.9	-177.1	72.6	0	0	0	111.6	L46 F82 I92 Y95 R125 V126 M133	L46-L129 HydrophobicContact CD1-CD1 4.09Å; F82-L129 HydrophobicContact CE1-CB 4.21Å; F82-L129 HydrophobicContact CE1-CD2 3.96Å; F82-L129 HydrophobicContact CZ-CD2 3.54Å; I92-L129 HydrophobicContact CD1-CD1 3.53Å; I92-L129 HydrophobicContact CG1-CD1 3.99Å; Y95-L129 HydrophobicContact CD1-CD2 4.24Å; Y95-L129 HydrophobicContact CE1-CD2 3.77Å; R125-L129 PolarHBondContact O-N 3.32Å; R125-L129 VanDerWaalsContact O-N 3.11Å; V126-L129 PolarHBondContact O-N 3.21Å; L129-M133 HydrophobicContact CD2-CE 4.48Å
130	D	98.4	Very high	98.6	Very high	34 Å²	34	38.7 Å²	38.7	18%	0.182	20%	0.202	C	C	.	.			trans	-150	105.9	-176.8	-177.1	3.9	0	0	0	111.3	V126 S132 M133	V126-D130 PolarHBondContact O-N 2.91Å; D130-S132 PolarHBondContact O-N 2.8Å; D130-S132 WeakPolarHBondContact OD1-CA 3.19Å; D130-S132 WeakPolarHBondContact OD1-CB 3.21Å; D130-S132 PolarHBondContact OD1-N 2.85Å; D130-S132 PolarHBondContact OD1-OG 2.63Å; D130-S132 PolarHBondContact OD2-OG 2.71Å; D130-M133 HydrophobicContact CB-CB 4.21Å; D130-M133 HydrophobicContact CB-CE 3.87Å; D130-M133 WeakPolarHBondContact O-CB 3.48Å; D130-M133 PolarHBondContact O-N 3.39Å
131	P	98.6	Very high	98.6	Very high	65 Å²	65	34.7 Å²	34.7	42%	0.422	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-33	170.3	-23.2	28.2	0	0	0	114.7	R127 Q205	R127-P131 VanDerWaalsContact CZ-CB 3.44Å; P131-Q205 PolarHBondContact O-NE2 2.79Å
132	S	98.4	Very high	98.6	Very high	79 Å²	79	32.5 Å²	32.5	55%	0.552	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	2.5	-173.1	74	0	0	0	0	113.8	D130 K134 Q205	D130-S132 PolarHBondContact O-N 2.8Å; D130-S132 WeakPolarHBondContact OD1-CA 3.19Å; D130-S132 WeakPolarHBondContact OD1-CB 3.21Å; D130-S132 PolarHBondContact OD1-N 2.85Å; D130-S132 PolarHBondContact OD1-OG 2.63Å; D130-S132 PolarHBondContact OD2-OG 2.71Å; S132-K134 PolarHBondContact O-N 2.9Å; S132-Q205 PolarHBondContact O-NE2 2.8Å
133	M	98.8	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.			trans	-48.8	132.2	-176.8	-175.3	64.2	66.5	0	0	112.1	P47 L50 V126 L129 D130 L135 F201 Q205	P47-M133 WeakPolarHBondContact O-CE 3.36Å; L50-M133 HydrophobicContact CD1-CE 4.42Å; L50-M133 HydrophobicContact CD1-CG 4.26Å; L50-M133 HydrophobicContact CD1-SD 4.3Å; L50-M133 HydrophobicContact CD2-SD 4.41Å; L50-M133 HydrophobicContact CG-CE 4.23Å; L50-M133 HydrophobicContact CG-CG 4.13Å; L50-M133 HydrophobicContact CG-SD 3.71Å; V126-M133 HydrophobicContact CG1-CB 4.01Å; V126-M133 HydrophobicContact CG1-CE 4.44Å; V126-M133 HydrophobicContact CG1-CG 3.66Å; L129-M133 HydrophobicContact CD2-CE 4.48Å; D130-M133 HydrophobicContact CB-CB 4.21Å; D130-M133 HydrophobicContact CB-CE 3.87Å; D130-M133 WeakPolarHBondContact O-CB 3.48Å; D130-M133 PolarHBondContact O-N 3.39Å; M133-L135 HydrophobicContact CG-CD2 3.84Å; M133-F201 HydrophobicContact CB-CE1 3.97Å; M133-F201 HydrophobicContact CB-CZ 4.44Å; M133-Q205 PolarHBondContact O-NE2 2.97Å
134	K	98.9	Very high	98.4	Very high	51 Å²	51	35.5 Å²	35.5	22%	0.222	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.4	172	-67.5	-73.3	-179.8	168.9	0	110.1	S48 C49 L50 S132 F228 L229	S48-K134 PolarHBondContact O-N 3.03Å; S48-K134 VanDerWaalsContact O-N 3.09Å; C49-K134 CarbonylContact C-O 3.57Å; C49-K134 VanDerWaalsContact CA-O 3.24Å; C49-K134 WeakPolarHBondContact CA-O 3.46Å; C49-K134 HydrophobicContact CB-CB 4.31Å; L50-K134 PolarHBondContact N-O 3.29Å; S132-K134 PolarHBondContact O-N 2.9Å; K134-F228 HydrophobicContact CB-CE1 3.77Å; K134-F228 HydrophobicContact CB-CZ 3.86Å; K134-F228 HydrophobicContact CD-CE1 4.05Å; K134-F228 HydrophobicContact CD-CE2 3.82Å; K134-F228 HydrophobicContact CD-CZ 3.52Å; K134-F228 HydrophobicContact CG-CE1 4.4Å; K134-F228 HydrophobicContact CG-CZ 4.27Å; K134-L229 HydrophobicContact CB-CD2 4.12Å
135	L	98.9	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.8	-175.6	-57.2	173.1	0	0	0	110.3	L50 I52 V126 M133 W197 F201 Q205 V206 H207	L50-L135 HydrophobicContact CB-CD2 4.07Å; L50-L135 HydrophobicContact CD1-CD2 4.41Å; L50-L135 WeakPolarHBondContact O-CA 3.42Å; I52-L135 HydrophobicContact CG2-CD2 4.08Å; V126-L135 HydrophobicContact CG1-CD2 4.4Å; M133-L135 HydrophobicContact CG-CD2 3.84Å; L135-W197 HydrophobicContact CD1-CE3 3.42Å; L135-W197 VanDerWaalsContact CD1-CE3 3.42Å; L135-W197 HydrophobicContact CD1-CZ3 3.65Å; L135-W197 HydrophobicContact CD2-CE3 4.42Å; L135-W197 HydrophobicContact CD2-CZ3 3.83Å; L135-W197 HydrophobicContact CG-CZ3 4.41Å; L135-F201 HydrophobicContact CD1-CB 4.08Å; L135-F201 HydrophobicContact CD1-CD1 4.22Å; L135-F201 HydrophobicContact CD1-CD2 3.66Å; L135-F201 HydrophobicContact CD1-CE2 4.13Å; L135-F201 HydrophobicContact CD1-CG 3.7Å; L135-Q205 WeakPolarHBondContact CB-O 3.23Å; L135-Q205 PolarHBondContact N-O 2.96Å; L135-V206 HydrophobicContact CB-CG2 4.31Å; L135-V206 HydrophobicContact CD1-CG2 4.06Å; L135-V206 CarbonylContact O-C 3.54Å; L135-V206 WeakPolarHBondContact O-CA 3.36Å; L135-H207 PolarHBondContact O-N 3.36Å
136	I	98.8	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.5	170.4	-62.8	175.1	0	0	0	108.7	L50 I51 I52 M62 L66 V138 H207 A225 F228 L229	L50-I136 PolarHBondContact O-N 3.02Å; I51-I136 CarbonylContact C-O 3.57Å; I51-I136 WeakPolarHBondContact CA-O 3.36Å; I51-I136 HydrophobicContact CG1-CB 4.06Å; I51-I136 HydrophobicContact CG1-CD1 4.48Å; I51-I136 HydrophobicContact CG1-CG2 4.39Å; I52-I136 PolarHBondContact N-O 3.45Å; I52-I136 VanDerWaalsContact N-O 3.12Å; M62-I136 HydrophobicContact CG-CG2 4.21Å; L66-I136 HydrophobicContact CD1-CD1 3.91Å; I136-V138 HydrophobicContact CG2-CG2 4.11Å; I136-H207 CarbonylContact C-O 3.46Å; I136-H207 WeakPolarHBondContact CA-O 3.46Å; I136-H207 HydrophobicContact CG1-CB 4.43Å; I136-A225 HydrophobicContact CD1-CB 4.24Å; I136-F228 HydrophobicContact CG1-CD1 4.11Å; I136-F228 HydrophobicContact CG1-CE1 3.93Å; I136-L229 HydrophobicContact CD1-CD1 4.4Å
137	L	98.7	Very high	98.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	102.6	176	169.8	52.1	0	0	0	109.5	I52 F117 V139 L194 V206 H207 I208 A209 F291	I52-L137 HydrophobicContact CG1-CB 4.34Å; F117-L137 HydrophobicContact CD1-CD1 3.98Å; F117-L137 HydrophobicContact CD2-CD1 3.74Å; F117-L137 HydrophobicContact CD2-CD2 4.28Å; F117-L137 HydrophobicContact CE1-CD1 3.89Å; F117-L137 HydrophobicContact CE2-CD1 3.67Å; F117-L137 HydrophobicContact CE2-CD2 3.56Å; F117-L137 HydrophobicContact CE2-CG 4.28Å; F117-L137 HydrophobicContact CG-CD1 3.9Å; F117-L137 HydrophobicContact CZ-CD1 3.74Å; F117-L137 HydrophobicContact CZ-CD2 3.81Å; F117-L137 HydrophobicContact CZ-CG 4.44Å; L137-V139 HydrophobicContact CD1-CG1 3.73Å; L137-V139 HydrophobicContact CD2-CG1 4.32Å; L137-V139 HydrophobicContact CG-CG1 3.85Å; L137-L194 HydrophobicContact CD2-CD1 3.97Å; L137-V206 HydrophobicContact CB-CG1 4.22Å; L137-H207 PolarHBondContact N-O 3.5Å; L137-I208 HydrophobicContact CB-CG1 4.33Å; L137-I208 HydrophobicContact CD2-CD1 4.43Å; L137-I208 HydrophobicContact CD2-CG1 4.18Å; L137-I208 HydrophobicContact CG-CG1 4.47Å; L137-I208 HydrophobicContact CG-CG2 4.38Å; L137-I208 CarbonylContact O-C 3.46Å; L137-I208 VanDerWaalsContact O-CA 3.31Å; L137-I208 WeakPolarHBondContact O-CA 3.27Å; L137-A209 PolarHBondContact O-N 3.24Å; L137-F291 HydrophobicContact CD2-CE2 4.43Å
138	V	98.5	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.3	172	-163.8	0	0	0	0	109.9	I51 G53 A54 G57 T59 M62 I136 A209	I51-V138 HydrophobicContact CG2-CG2 4Å; G53-V138 CarbonylContact C-O 3.6Å; G53-V138 WeakPolarHBondContact CA-O 3.42Å; A54-V138 PolarHBondContact N-O 2.83Å; G57-V138 WeakPolarHBondContact O-CG1 3.43Å; T59-V138 HydrophobicContact CG2-CB 3.96Å; T59-V138 HydrophobicContact CG2-CG2 4.11Å; M62-V138 HydrophobicContact CB-CG2 3.99Å; M62-V138 HydrophobicContact CG-CG2 4.11Å; I136-V138 HydrophobicContact CG2-CG2 4.11Å; V138-A209 HydrophobicContact CG2-CB 4.35Å
139	V	98.3	Very high	98.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	165.8	179.5	-71.9	0	0	0	0	110.8	L137 Y190 I208 A209 G211 F291 F299 W301	L137-V139 HydrophobicContact CD1-CG1 3.73Å; L137-V139 HydrophobicContact CD2-CG1 4.32Å; L137-V139 HydrophobicContact CG-CG1 3.85Å; V139-Y190 HydrophobicContact CB-CD2 4.18Å; V139-Y190 HydrophobicContact CB-CE2 3.91Å; V139-Y190 HydrophobicContact CG1-CD2 3.99Å; V139-Y190 HydrophobicContact CG1-CE2 4.09Å; V139-Y190 HydrophobicContact CG1-CG 4.23Å; V139-I208 HydrophobicContact CG2-CG2 3.67Å; V139-A209 WeakPolarHBondContact CG2-O 3.49Å; V139-A209 PolarHBondContact N-O 3.33Å; V139-G211 VanDerWaalsContact O-CA 3.24Å; V139-G211 WeakPolarHBondContact O-CA 3.08Å; V139-G211 PolarHBondContact O-N 2.76Å; V139-F291 HydrophobicContact CB-CZ 4.47Å; V139-F291 HydrophobicContact CG1-CZ 3.91Å; V139-F291 HydrophobicContact CG2-CE1 4.24Å; V139-F291 HydrophobicContact CG2-CZ 4.16Å; V139-F299 HydrophobicContact CG2-CE1 3.76Å; V139-F299 HydrophobicContact CG2-CZ 3.77Å; V139-W301 HydrophobicContact CB-CH2 3.81Å; V139-W301 HydrophobicContact CB-CZ2 4.18Å; V139-W301 HydrophobicContact CG2-CH2 3.63Å; V139-W301 HydrophobicContact CG2-CZ2 3.88Å
140	R	97.3	Very high	98.1	Very high	43 Å²	43	18.2 Å²	18.2	16%	0.162	10%	0.101	C	C	.	.			trans	-151.4	161.3	-177.5	-167.4	-175.6	-178	173.6	3.5	108.8	R145 Y190 D212	R140-R145 HydrophobicContact CB-CB 4.38Å; R140-Y190 WeakPolarHBondContact O-CE2 3.29Å; R140-Y190 PolarHBondContact O-OH 3.12Å; R140-D212 VanDerWaalsContact CG-CG 3.41Å; R140-D212 WeakPolarHBondContact CG-OD1 3.4Å; R140-D212 VanDerWaalsContact CG-OD2 3.22Å; R140-D212 WeakPolarHBondContact CG-OD2 3.42Å; R140-D212 IonicContact CZ-OD1 3.21Å; R140-D212 IonicContact NE-OD1 3.8Å; R140-D212 PolarHBondContact NE-OD1 2.93Å; R140-D212 IonicContact NH2-OD1 3.92Å
141	D	98.1	Very high	98	Very high	14 Å²	14	16.8 Å²	16.8	8%	0.075	9%	0.093	C	C	.	.			trans	-40	119.5	169.3	176.8	-46.4	0	0	0	110.5	V143 I144 R145 D212 W301	D141-V143 VanDerWaalsContact C-N 3.25Å; D141-V143 PolarHBondContact O-N 3.38Å; D141-V143 WeakPolarHBondContact OD1-CA 3.46Å; D141-V143 VanDerWaalsContact OD1-CB 3.22Å; D141-V143 WeakPolarHBondContact OD1-CB 3.24Å; D141-V143 PolarHBondContact OD1-N 3.16Å; D141-I144 HydrophobicContact CB-CB 4.07Å; D141-I144 HydrophobicContact CB-CD1 3.82Å; D141-I144 HydrophobicContact CB-CG1 3.9Å; D141-I144 PolarHBondContact O-N 3.14Å; D141-I144 PolarHBondContact OD1-N 3.46Å; D141-R145 VanDerWaalsContact O-CB 3.26Å; D141-R145 WeakPolarHBondContact O-CB 3.16Å; D141-R145 PolarHBondContact O-N 3.06Å; D141-D212 PolarHBondContact N-OD2 2.81Å; D141-W301 VanDerWaalsContact CA-CD1 3.47Å; D141-W301 HydrophobicContact CB-CB 4.43Å; D141-W301 HydrophobicContact CB-CG 4.03Å; D141-W301 VanDerWaalsContact N-NE1 3.19Å
142	P	98.4	Very high	97.8	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-65.2	-28.6	-171.8	26.4	-36.1	0	0	0	112.4	T146 S188 Y190 F284	P142-T146 WeakPolarHBondContact O-CB 3.42Å; P142-T146 PolarHBondContact O-N 3.19Å; P142-T146 PolarHBondContact O-OG1 3.09Å; P142-S188 PolarHBondContact O-OG 2.92Å; P142-Y190 HydrophobicContact CB-CE2 4.5Å; P142-F284 HydrophobicContact CB-CB 4.43Å; P142-F284 HydrophobicContact CB-CD1 3.97Å; P142-F284 HydrophobicContact CB-CD2 3.97Å; P142-F284 HydrophobicContact CB-CE1 4.17Å; P142-F284 HydrophobicContact CB-CE2 4.18Å; P142-F284 HydrophobicContact CB-CG 3.88Å; P142-F284 HydrophobicContact CB-CZ 4.27Å; P142-F284 HydrophobicContact CG-CB 3.86Å; P142-F284 HydrophobicContact CG-CD1 4.31Å; P142-F284 HydrophobicContact CG-CD2 4.02Å; P142-F284 HydrophobicContact CG-CG 3.82Å
143	V	98.3	Very high	97.7	Very high	7 Å²	7	14.3 Å²	14.3	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-68	-52.3	173.7	-177	0	0	0	0	109.3	D141 R145 T146 V147 I272 R277 L280 K281 F284	D141-V143 VanDerWaalsContact C-N 3.25Å; D141-V143 PolarHBondContact O-N 3.38Å; D141-V143 WeakPolarHBondContact OD1-CA 3.46Å; D141-V143 VanDerWaalsContact OD1-CB 3.22Å; D141-V143 WeakPolarHBondContact OD1-CB 3.24Å; D141-V143 PolarHBondContact OD1-N 3.16Å; V143-R145 VanDerWaalsContact C-N 3.3Å; V143-R145 PolarHBondContact O-N 2.88Å; V143-T146 PolarHBondContact O-N 2.82Å; V143-V147 WeakPolarHBondContact O-CG2 3.36Å; V143-V147 PolarHBondContact O-N 2.71Å; V143-I272 HydrophobicContact CG1-CD1 4.42Å; V143-R277 HydrophobicContact CG1-CG 4.24Å; V143-L280 HydrophobicContact CG1-CB 4.11Å; V143-L280 HydrophobicContact CG1-CD1 4.12Å; V143-L280 HydrophobicContact CG2-CB 3.9Å; V143-K281 HydrophobicContact CG2-CG 3.84Å; V143-F284 HydrophobicContact CG2-CD2 3.79Å; V143-F284 HydrophobicContact CG2-CE2 4.25Å
144	I	96.9	Very high	97.5	Very high	57 Å²	57	15.7 Å²	15.7	29%	0.292	8%	0.077	S	C	.	.	H	α-helix	trans	-61.2	-43.1	-179.8	-59.5	178.5	0	0	0	110.5	D141 V147 S148	D141-I144 HydrophobicContact CB-CB 4.07Å; D141-I144 HydrophobicContact CB-CD1 3.82Å; D141-I144 HydrophobicContact CB-CG1 3.9Å; D141-I144 PolarHBondContact O-N 3.14Å; D141-I144 PolarHBondContact OD1-N 3.46Å; I144-V147 PolarHBondContact O-N 2.82Å; I144-S148 WeakPolarHBondContact O-CB 3.46Å; I144-S148 PolarHBondContact O-N 3.28Å
145	R	97.5	Very high	97.3	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-43.9	177.3	-176.7	-93.5	158.1	-152.5	-9.7	111.5	R55 K56 R140 D141 V143 S148 D149 P184 S188 Y190	R55-R145 WeakPolarHBondContact O-CG 3.25Å; R55-R145 PolarHBondContact O-NE 3.09Å; K56-R145 HydrophobicContact CB-CG 4.43Å; R140-R145 HydrophobicContact CB-CB 4.38Å; D141-R145 VanDerWaalsContact O-CB 3.26Å; D141-R145 WeakPolarHBondContact O-CB 3.16Å; D141-R145 PolarHBondContact O-N 3.06Å; V143-R145 VanDerWaalsContact C-N 3.3Å; V143-R145 PolarHBondContact O-N 2.88Å; R145-S148 PolarHBondContact O-N 3.36Å; R145-D149 IonicContact CZ-OD2 3.57Å; R145-D149 IonicContact NH1-OD2 2.64Å; R145-D149 IonicContact NH2-OD1 3.78Å; R145-D149 IonicContact NH2-OD2 3.33Å; R145-D149 PolarHBondContact NH2-OD2 3.19Å; R145-D149 WeakPolarHBondContact O-CB 3.17Å; R145-D149 PolarHBondContact O-N 2.65Å; R145-P184 PolarHBondContact NH1-O 3.16Å; R145-S188 WeakPolarHBondContact CD-OG 3.17Å; R145-S188 PolarHBondContact NH1-OG 3.22Å; R145-Y190 WeakPolarHBondContact CG-OH 3.42Å
146	T	98.3	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-48	177	-63.3	0	0	0	0	111.2	P142 V143 S148 D149 Y150 F167 P184 I185 S188	P142-T146 WeakPolarHBondContact O-CB 3.42Å; P142-T146 PolarHBondContact O-N 3.19Å; P142-T146 PolarHBondContact O-OG1 3.09Å; V143-T146 PolarHBondContact O-N 2.82Å; T146-S148 VanDerWaalsContact C-N 3.35Å; T146-S148 PolarHBondContact O-N 3.16Å; T146-D149 PolarHBondContact O-N 3.45Å; T146-Y150 PolarHBondContact O-N 2.93Å; T146-F167 HydrophobicContact CG2-CE2 4.19Å; T146-F167 HydrophobicContact CG2-CZ 4.17Å; T146-P184 HydrophobicContact CG2-CB 3.91Å; T146-P184 PolarHBondContact OG1-O 2.79Å; T146-I185 HydrophobicContact CG2-CD1 3.63Å; T146-I185 HydrophobicContact CG2-CG1 4.3Å; T146-S188 PolarHBondContact OG1-OG 3.49Å
147	V	97.8	Very high	96.9	Very high	8 Å²	8	23.2 Å²	23.2	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-43.1	177.5	178.7	0	0	0	0	111	V143 I144 D149 Y150 T151 F167 H269 V270 I272	V143-V147 WeakPolarHBondContact O-CG2 3.36Å; V143-V147 PolarHBondContact O-N 2.71Å; I144-V147 PolarHBondContact O-N 2.82Å; V147-D149 VanDerWaalsContact C-N 3.31Å; V147-D149 PolarHBondContact O-N 2.87Å; V147-Y150 PolarHBondContact O-N 3.47Å; V147-T151 WeakPolarHBondContact O-CB 3.47Å; V147-T151 PolarHBondContact O-N 3.04Å; V147-T151 PolarHBondContact O-OG1 3.47Å; V147-F167 HydrophobicContact CB-CE2 4.36Å; V147-F167 HydrophobicContact CG2-CE1 4.26Å; V147-F167 HydrophobicContact CG2-CE2 3.91Å; V147-F167 HydrophobicContact CG2-CZ 3.62Å; V147-H269 HydrophobicContact CG1-CB 3.89Å; V147-V270 HydrophobicContact CG1-CG2 3.77Å; V147-V270 WeakPolarHBondContact CG1-O 3.22Å; V147-I272 HydrophobicContact CG1-CG2 4.41Å; V147-I272 HydrophobicContact CG2-CD1 3.77Å; V147-I272 HydrophobicContact CG2-CG1 4.44Å; V147-I272 HydrophobicContact CG2-CG2 4.16Å
148	S	96.4	Very high	96.8	Very high	6 Å²	6	28 Å²	28	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-37	178.5	-159.1	0	0	0	0	112.3	K56 I144 R145 T146 T151 Q152 H269	K56-S148 WeakPolarHBondContact CE-OG 3.1Å; I144-S148 WeakPolarHBondContact O-CB 3.46Å; I144-S148 PolarHBondContact O-N 3.28Å; R145-S148 PolarHBondContact O-N 3.36Å; T146-S148 VanDerWaalsContact C-N 3.35Å; T146-S148 PolarHBondContact O-N 3.16Å; S148-T151 PolarHBondContact O-N 2.9Å; S148-Q152 PolarHBondContact O-N 3.1Å; S148-H269 WeakPolarHBondContact CB-NE2 3.48Å; S148-H269 PolarHBondContact OG-NE2 2.74Å
149	D	96.9	Very high	96.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.011	17%	0.173	C	C	.	.	H	α-helix	trans	-72.5	-44.5	179.4	-164.2	41.8	0	0	0	111.7	R55 K56 R145 T146 V147 T151 Q152 V153 P184	R55-D149 WeakPolarHBondContact CD-OD1 3.39Å; R55-D149 IonicContact CZ-OD1 3.15Å; R55-D149 IonicContact NE-OD1 2.79Å; R55-D149 PolarHBondContact NE-OD1 2.94Å; R55-D149 IonicContact NH1-OD1 2.67Å; R55-D149 PolarHBondContact NH1-OD1 2.92Å; R55-D149 IonicContact NH1-OD2 3.82Å; K56-D149 HydrophobicContact CG-CB 4.04Å; R145-D149 IonicContact CZ-OD2 3.57Å; R145-D149 IonicContact NH1-OD2 2.64Å; R145-D149 IonicContact NH2-OD1 3.78Å; R145-D149 IonicContact NH2-OD2 3.33Å; R145-D149 PolarHBondContact NH2-OD2 3.19Å; R145-D149 WeakPolarHBondContact O-CB 3.17Å; R145-D149 PolarHBondContact O-N 2.65Å; T146-D149 PolarHBondContact O-N 3.45Å; V147-D149 VanDerWaalsContact C-N 3.31Å; V147-D149 PolarHBondContact O-N 2.87Å; D149-T151 VanDerWaalsContact C-N 3.31Å; D149-T151 PolarHBondContact O-N 3.09Å; D149-Q152 PolarHBondContact O-N 3.32Å; D149-V153 WeakPolarHBondContact O-CG2 3.34Å; D149-V153 PolarHBondContact O-N 3.22Å; D149-P184 HydrophobicContact CB-CB 4.26Å
150	Y	97.5	Very high	96.6	Very high	15 Å²	15	39.2 Å²	39.2	6%	0.059	20%	0.202	C	C	.	.	H	α-helix	trans	-54.9	-48	169.5	168.8	-86.7	0	0	0	111.1	T146 V147 Q152 V153 M154 A165 G166 F167 Y182 V270	T146-Y150 PolarHBondContact O-N 2.93Å; V147-Y150 PolarHBondContact O-N 3.47Å; Y150-Q152 VanDerWaalsContact C-N 3.26Å; Y150-Q152 PolarHBondContact O-N 3.49Å; Y150-V153 PolarHBondContact O-N 3.39Å; Y150-M154 HydrophobicContact CE1-CB 4.16Å; Y150-M154 WeakPolarHBondContact O-CB 3.37Å; Y150-M154 PolarHBondContact O-N 2.98Å; Y150-A165 PolarHBondContact OH-O 3.28Å; Y150-G166 WeakPolarHBondContact OH-CA 3.33Å; Y150-F167 HydrophobicContact CD1-CB 4.26Å; Y150-F167 AromaticContact CD1-CD2 3.69Å; Y150-F167 HydrophobicContact CD1-CD2 3.69Å; Y150-F167 HydrophobicContact CD1-CG 4.46Å; Y150-F167 AromaticContact CD2-CD2 3.88Å; Y150-F167 HydrophobicContact CD2-CD2 3.88Å; Y150-F167 HydrophobicContact CE1-CB 3.97Å; Y150-F167 HydrophobicContact CE1-CD2 4.26Å; Y150-F167 HydrophobicContact CE2-CB 4.3Å; Y150-F167 HydrophobicContact CE2-CD2 4.44Å; Y150-F167 AromaticContact CG-CD2 3.5Å; Y150-F167 HydrophobicContact CG-CD2 3.5Å; Y150-F167 HydrophobicContact CG-CE2 4.2Å; Y150-F167 PolarHBondContact OH-N 3.43Å; Y150-Y182 WeakPolarHBondContact CD2-OH 3.11Å; Y150-V270 HydrophobicContact CD1-CG1 4.24Å; Y150-V270 HydrophobicContact CD1-CG2 3.64Å; Y150-V270 HydrophobicContact CE1-CB 4.36Å; Y150-V270 HydrophobicContact CE1-CG1 3.88Å; Y150-V270 HydrophobicContact CE1-CG2 3.78Å
151	T	96.5	Very high	96.5	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-42.4	-179.4	-58.2	0	0	0	0	110.7	V147 S148 D149 M154 H155 V270	V147-T151 WeakPolarHBondContact O-CB 3.47Å; V147-T151 PolarHBondContact O-N 3.04Å; V147-T151 PolarHBondContact O-OG1 3.47Å; S148-T151 PolarHBondContact O-N 2.9Å; D149-T151 VanDerWaalsContact C-N 3.31Å; D149-T151 PolarHBondContact O-N 3.09Å; T151-M154 HydrophobicContact CG2-CE 4.3Å; T151-M154 PolarHBondContact O-N 2.89Å; T151-H155 PolarHBondContact O-CD2 3.49Å; T151-H155 PolarHBondContact O-N 2.99Å; T151-V270 HydrophobicContact CG2-CG1 4.47Å; T151-V270 PolarHBondContact OG1-N 2.78Å
152	Q	95	Very high	96.5	Very high	48 Å²	48	46 Å²	46	22%	0.224	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-41.9	175.9	179.8	64.2	36.5	0	0	112.7	R55 K56 S148 D149 Y150 S156	R55-Q152 VanDerWaalsContact NH2-CG 3.28Å; K56-Q152 HydrophobicContact CD-CB 4.23Å; S148-Q152 PolarHBondContact O-N 3.1Å; D149-Q152 PolarHBondContact O-N 3.32Å; Y150-Q152 VanDerWaalsContact C-N 3.26Å; Y150-Q152 PolarHBondContact O-N 3.49Å; Q152-S156 WeakPolarHBondContact O-CB 3.25Å; Q152-S156 PolarHBondContact O-N 3.07Å; Q152-S156 VanDerWaalsContact O-N 3.11Å
153	V	95.1	Very high	96.3	Very high	43 Å²	43	51.5 Å²	51.5	26%	0.261	29%	0.289	S	S	.	.	H	α-helix	trans	-65.9	-42.7	177.2	171.4	0	0	0	0	110.9	D149 Y150 S156 K157	D149-V153 WeakPolarHBondContact O-CG2 3.34Å; D149-V153 PolarHBondContact O-N 3.22Å; Y150-V153 PolarHBondContact O-N 3.39Å; V153-S156 PolarHBondContact O-N 2.86Å; V153-K157 HydrophobicContact CG1-CD 4.34Å; V153-K157 WeakPolarHBondContact O-CG 3.06Å; V153-K157 PolarHBondContact O-N 3.42Å
154	M	95.5	Very high	96.1	Very high	30 Å²	30	53.3 Å²	53.3	15%	0.148	30%	0.3	C	S	.	.	H	α-helix	trans	-56.3	-53.8	175.9	173	-87.7	-77.4	0	0	110.8	Y150 T151 S156 K157 L158 V164 V270	Y150-M154 HydrophobicContact CE1-CB 4.16Å; Y150-M154 WeakPolarHBondContact O-CB 3.37Å; Y150-M154 PolarHBondContact O-N 2.98Å; T151-M154 HydrophobicContact CG2-CE 4.3Å; T151-M154 PolarHBondContact O-N 2.89Å; M154-S156 VanDerWaalsContact C-N 3.3Å; M154-S156 PolarHBondContact O-N 3.32Å; M154-K157 PolarHBondContact O-N 3.48Å; M154-L158 HydrophobicContact CG-CD1 4.18Å; M154-L158 HydrophobicContact CG-CG 4.49Å; M154-L158 WeakPolarHBondContact O-CG 3.37Å; M154-L158 PolarHBondContact O-N 3.09Å; M154-L158 HydrophobicContact SD-CD1 3.39Å; M154-L158 WeakPolarHBondContact SD-CD1 3.42Å; M154-L158 HydrophobicContact SD-CG 4.19Å; M154-V164 HydrophobicContact CB-CG1 3.93Å; M154-V164 HydrophobicContact CG-CB 4.31Å; M154-V164 HydrophobicContact CG-CG1 3.68Å; M154-V164 HydrophobicContact CG-CG2 4.21Å; M154-V270 HydrophobicContact CE-CG1 3.64Å
155	H	94	Very high	96	Very high	75 Å²	75	53 Å²	53	35%	0.347	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-40.6	177.8	-79.9	-68.7	0	0	0	112.7	T151 K157 L158 S159	T151-H155 PolarHBondContact O-CD2 3.49Å; T151-H155 PolarHBondContact O-N 2.99Å; H155-K157 VanDerWaalsContact C-N 3.27Å; H155-K157 PolarHBondContact O-N 2.96Å; H155-L158 PolarHBondContact O-N 3.2Å; H155-S159 WeakPolarHBondContact O-CB 3.47Å; H155-S159 PolarHBondContact O-N 3.11Å; H155-S159 PolarHBondContact O-OG 3.27Å
156	S	94.6	Very high	95.9	Very high	46 Å²	46	54.8 Å²	54.8	32%	0.322	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-26.7	177.5	-178.8	0	0	0	0	113.5	Q152 V153 M154 S159 K160	Q152-S156 WeakPolarHBondContact O-CB 3.25Å; Q152-S156 PolarHBondContact O-N 3.07Å; Q152-S156 VanDerWaalsContact O-N 3.11Å; V153-S156 PolarHBondContact O-N 2.86Å; M154-S156 VanDerWaalsContact C-N 3.3Å; M154-S156 PolarHBondContact O-N 3.32Å; S156-S159 PolarHBondContact O-OG 3.4Å; S156-K160 WeakPolarHBondContact O-CD 3.4Å; S156-K160 WeakPolarHBondContact O-CG 3.45Å
157	K	96.4	Very high	95.9	Very high	87 Å²	87	55 Å²	55	38%	0.378	33%	0.326	S	S	.	.	H	α-helix	trans	-79.1	-47.1	175.1	-79.2	-175.7	173.2	-168.6	0	110.7	V153 M154 H155 S159 K160 G161 K162 V164	V153-K157 HydrophobicContact CG1-CD 4.34Å; V153-K157 WeakPolarHBondContact O-CG 3.06Å; V153-K157 PolarHBondContact O-N 3.42Å; M154-K157 PolarHBondContact O-N 3.48Å; H155-K157 VanDerWaalsContact C-N 3.27Å; H155-K157 PolarHBondContact O-N 2.96Å; K157-S159 VanDerWaalsContact C-N 3.31Å; K157-S159 PolarHBondContact O-N 2.81Å; K157-K160 CarbonylContact O-C 3.55Å; K157-K160 WeakPolarHBondContact O-CA 3.33Å; K157-K160 PolarHBondContact O-N 3.14Å; K157-G161 PolarHBondContact O-N 3.35Å; K157-K162 HydrophobicContact CB-CB 4.06Å; K157-K162 HydrophobicContact CG-CB 4.37Å; K157-K162 PolarHBondContact O-N 3.06Å; K157-V164 HydrophobicContact CB-CG2 3.55Å; K157-V164 HydrophobicContact CD-CG2 4Å; K157-V164 HydrophobicContact CG-CG2 4.43Å
158	L	95.5	Very high	95.9	Very high	101 Å²	101	57.9 Å²	57.9	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-58.9	-42	177.3	-67.4	-178.6	0	0	0	111.8	M154 H155 K160 G161 V164	M154-L158 HydrophobicContact CG-CD1 4.18Å; M154-L158 HydrophobicContact CG-CG 4.49Å; M154-L158 WeakPolarHBondContact O-CG 3.37Å; M154-L158 PolarHBondContact O-N 3.09Å; M154-L158 HydrophobicContact SD-CD1 3.39Å; M154-L158 WeakPolarHBondContact SD-CD1 3.42Å; M154-L158 HydrophobicContact SD-CG 4.19Å; H155-L158 PolarHBondContact O-N 3.2Å; L158-K160 PolarHBondContact O-N 3.11Å; L158-G161 PolarHBondContact O-N 2.84Å; L158-V164 HydrophobicContact CD2-CG2 3.87Å; L158-V164 HydrophobicContact CG-CG2 4.01Å
159	S	95.4	Very high	95.9	Very high	94 Å²	94	67.3 Å²	67.3	66%	0.657	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-11	176.6	76.5	0	0	0	0	114.2	H155 S156 K157	H155-S159 WeakPolarHBondContact O-CB 3.47Å; H155-S159 PolarHBondContact O-N 3.11Å; H155-S159 PolarHBondContact O-OG 3.27Å; S156-S159 PolarHBondContact O-OG 3.4Å; K157-S159 VanDerWaalsContact C-N 3.31Å; K157-S159 PolarHBondContact O-N 2.81Å
160	K	97	Very high	95.9	Very high	142 Å²	142	68.2 Å²	68.2	62%	0.617	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	13.8	177.8	-64.5	179.6	-179.5	-175.9	0	111.9	S156 K157 L158 K162	S156-K160 WeakPolarHBondContact O-CD 3.4Å; S156-K160 WeakPolarHBondContact O-CG 3.45Å; K157-K160 CarbonylContact O-C 3.55Å; K157-K160 WeakPolarHBondContact O-CA 3.33Å; K157-K160 PolarHBondContact O-N 3.14Å; L158-K160 PolarHBondContact O-N 3.11Å; K160-K162 HydrophobicContact CB-CG 4.24Å; K160-K162 PolarHBondContact O-N 3.3Å
161	G	96.3	Very high	95.9	Very high	74 Å²	74	67.5 Å²	67.5	76%	0.763	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	18.9	-177.4	0	0	0	0	0	114.5	K157 L158	K157-G161 PolarHBondContact O-N 3.35Å; L158-G161 PolarHBondContact O-N 2.84Å
162	K	96.8	Very high	96	Very high	124 Å²	124	67.9 Å²	67.9	54%	0.539	38%	0.379	S	S	.	.			trans	-91.5	141.1	-177.7	-64.2	-170.8	177.9	-168.8	0	111.1	K157 K160	K157-K162 HydrophobicContact CB-CB 4.06Å; K157-K162 HydrophobicContact CG-CB 4.37Å; K157-K162 PolarHBondContact O-N 3.06Å; K160-K162 HydrophobicContact CB-CG 4.24Å; K160-K162 PolarHBondContact O-N 3.3Å
163	P	95.1	Very high	96.1	Very high	117 Å²	117	68.1 Å²	68.1	76%	0.76	38%	0.381	S	S	*	.			trans	-64.6	149.8	177.2	27.5	-34.9	0	0	0	111.7
164	V	94.7	Very high	96.1	Very high	46 Å²	46	72 Å²	72	28%	0.279	41%	0.41	S	S	.	.			trans	-128.1	122.1	178.6	-175.5	0	0	0	0	109.8	M154 K157 L158	M154-V164 HydrophobicContact CB-CG1 3.93Å; M154-V164 HydrophobicContact CG-CB 4.31Å; M154-V164 HydrophobicContact CG-CG1 3.68Å; M154-V164 HydrophobicContact CG-CG2 4.21Å; K157-V164 HydrophobicContact CB-CG2 3.55Å; K157-V164 HydrophobicContact CD-CG2 4Å; K157-V164 HydrophobicContact CG-CG2 4.43Å; L158-V164 HydrophobicContact CD2-CG2 3.87Å; L158-V164 HydrophobicContact CG-CG2 4.01Å
165	A	94.3	Very high	96.1	Very high	49 Å²	49	75.7 Å²	75.7	41%	0.405	44%	0.435	S	S	.	.			trans	-75.3	145.8	168.8	0	0	0	0	0	110	Y150	Y150-A165 PolarHBondContact OH-O 3.28Å
166	G	95.7	Very high	96.1	Very high	40 Å²	40	73.5 Å²	73.5	41%	0.412	43%	0.432	S	S	.	.			trans	-55.8	160.7	175.8	0	0	0	0	0	113.8	Y150 R169 S170	Y150-G166 WeakPolarHBondContact OH-CA 3.33Å; G166-R169 PolarHBondContact O-N 2.6Å; G166-S170 WeakPolarHBondContact O-CB 3.41Å; G166-S170 PolarHBondContact O-N 3.38Å; G166-S170 VanDerWaalsContact O-N 3.08Å; G166-S170 PolarHBondContact O-OG 2.98Å
167	F	97.6	Very high	96.1	Very high	5 Å²	5	77.2 Å²	77.2	2%	0.022	45%	0.446	C	S	.	.	H	α-helix	trans	-59.9	-54.3	-174.9	177.9	-96	0	0	0	111.6	T146 V147 Y150 R169 S170 V171 V270 I272 T276 L280	T146-F167 HydrophobicContact CG2-CE2 4.19Å; T146-F167 HydrophobicContact CG2-CZ 4.17Å; V147-F167 HydrophobicContact CB-CE2 4.36Å; V147-F167 HydrophobicContact CG2-CE1 4.26Å; V147-F167 HydrophobicContact CG2-CE2 3.91Å; V147-F167 HydrophobicContact CG2-CZ 3.62Å; Y150-F167 HydrophobicContact CD1-CB 4.26Å; Y150-F167 AromaticContact CD1-CD2 3.69Å; Y150-F167 HydrophobicContact CD1-CD2 3.69Å; Y150-F167 HydrophobicContact CD1-CG 4.46Å; Y150-F167 AromaticContact CD2-CD2 3.88Å; Y150-F167 HydrophobicContact CD2-CD2 3.88Å; Y150-F167 HydrophobicContact CE1-CB 3.97Å; Y150-F167 HydrophobicContact CE1-CD2 4.26Å; Y150-F167 HydrophobicContact CE2-CB 4.3Å; Y150-F167 HydrophobicContact CE2-CD2 4.44Å; Y150-F167 AromaticContact CG-CD2 3.5Å; Y150-F167 HydrophobicContact CG-CD2 3.5Å; Y150-F167 HydrophobicContact CG-CE2 4.2Å; Y150-F167 PolarHBondContact OH-N 3.43Å; F167-R169 VanDerWaalsContact C-N 3.32Å; F167-R169 PolarHBondContact O-N 3.11Å; F167-S170 WeakPolarHBondContact O-CA 3.25Å; F167-S170 WeakPolarHBondContact O-CB 3.49Å; F167-S170 PolarHBondContact O-N 3.48Å; F167-V171 HydrophobicContact CD1-CG1 4.43Å; F167-V171 HydrophobicContact CD1-CG2 4.12Å; F167-V171 HydrophobicContact CD2-CG1 4.23Å; F167-V171 HydrophobicContact CE1-CG1 4Å; F167-V171 HydrophobicContact CE1-CG2 3.82Å; F167-V171 HydrophobicContact CE2-CG1 3.77Å; F167-V171 HydrophobicContact CZ-CG1 3.65Å; F167-V171 HydrophobicContact CZ-CG2 4.31Å; F167-V171 WeakPolarHBondContact O-CG2 3.36Å; F167-V171 PolarHBondContact O-N 3.11Å; F167-V270 HydrophobicContact CB-CG2 4.27Å; F167-V270 HydrophobicContact CD2-CG2 4.34Å; F167-V270 HydrophobicContact CG-CG2 4.44Å; F167-I272 HydrophobicContact CB-CG2 4.37Å; F167-I272 HydrophobicContact CD1-CB 4.28Å; F167-I272 HydrophobicContact CD1-CG2 3.32Å; F167-I272 HydrophobicContact CE1-CB 4.41Å; F167-I272 HydrophobicContact CE1-CD1 4.43Å; F167-I272 HydrophobicContact CE1-CG2 3.62Å; F167-I272 HydrophobicContact CG-CG2 3.81Å; F167-I272 HydrophobicContact CZ-CG2 4.34Å; F167-T276 HydrophobicContact CD1-CG2 4Å; F167-T276 HydrophobicContact CE1-CG2 3.68Å; F167-L280 HydrophobicContact CE1-CD1 3.8Å; F167-L280 HydrophobicContact CZ-CD1 3.8Å
168	E	97.2	Very high	96.2	Very high	68 Å²	68	74.2 Å²	74.2	32%	0.318	44%	0.435	S	S	.	.	H	α-helix	trans	-56	-44.9	-179.6	-77.3	75.5	-172.2	0	0	111.9	S170 V171 F172 S273 T276	E168-S170 PolarHBondContact O-N 3.42Å; E168-V171 PolarHBondContact O-N 2.59Å; E168-F172 HydrophobicContact CB-CD2 4.34Å; E168-F172 HydrophobicContact CG-CE2 4.44Å; E168-F172 WeakPolarHBondContact O-CD2 3.35Å; E168-F172 PolarHBondContact O-N 3.36Å; E168-S273 PolarHBondContact OE1-N 3.23Å; E168-T276 HydrophobicContact CG-CG2 4.1Å; E168-T276 WeakPolarHBondContact CG-OG1 3.38Å; E168-T276 PolarHBondContact OE1-OG1 3.11Å
169	R	96.7	Very high	96.4	Very high	203 Å²	203	75.1 Å²	75.1	77%	0.766	43%	0.431	S	S	*	.	H	α-helix	trans	-65.2	-25.9	177.1	-171.7	172	-174.3	164.4	2.7	112.8	G166 F167	G166-R169 PolarHBondContact O-N 2.6Å; F167-R169 VanDerWaalsContact C-N 3.32Å; F167-R169 PolarHBondContact O-N 3.11Å
170	S	97.5	Very high	96.4	Very high	21 Å²	21	72.4 Å²	72.4	15%	0.147	41%	0.414	C	S	.	.	H	α-helix	trans	-83.2	-32.8	178	-58.6	0	0	0	0	112.7	G166 F167 E168 R179	G166-S170 WeakPolarHBondContact O-CB 3.41Å; G166-S170 PolarHBondContact O-N 3.38Å; G166-S170 VanDerWaalsContact O-N 3.08Å; G166-S170 PolarHBondContact O-OG 2.98Å; F167-S170 WeakPolarHBondContact O-CA 3.25Å; F167-S170 WeakPolarHBondContact O-CB 3.49Å; F167-S170 PolarHBondContact O-N 3.48Å; E168-S170 PolarHBondContact O-N 3.42Å; S170-R179 WeakPolarHBondContact O-CD 3.39Å
171	V	98	Very high	96.4	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-96.9	-20.7	-175.1	-58.4	0	0	0	0	114	F167 E168 V178 R179 Y182 I185	F167-V171 HydrophobicContact CD1-CG1 4.43Å; F167-V171 HydrophobicContact CD1-CG2 4.12Å; F167-V171 HydrophobicContact CD2-CG1 4.23Å; F167-V171 HydrophobicContact CE1-CG1 4Å; F167-V171 HydrophobicContact CE1-CG2 3.82Å; F167-V171 HydrophobicContact CE2-CG1 3.77Å; F167-V171 HydrophobicContact CZ-CG1 3.65Å; F167-V171 HydrophobicContact CZ-CG2 4.31Å; F167-V171 WeakPolarHBondContact O-CG2 3.36Å; F167-V171 PolarHBondContact O-N 3.11Å; E168-V171 PolarHBondContact O-N 2.59Å; V171-V178 CarbonylContact O-C 3.57Å; V171-V178 WeakPolarHBondContact O-CA 3.4Å; V171-R179 PolarHBondContact O-N 3.11Å; V171-Y182 HydrophobicContact CG1-CD1 3.9Å; V171-Y182 HydrophobicContact CG1-CE1 3.88Å; V171-I185 HydrophobicContact CB-CD1 4.39Å; V171-I185 HydrophobicContact CG1-CD1 4.27Å; V171-I185 HydrophobicContact CG1-CG1 4.41Å
172	F	98.1	Very high	96.5	Very high	13 Å²	13	70.5 Å²	70.5	6%	0.057	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-114.6	146.7	177.7	-56.2	-62.9	0	0	0	112.1	E168 M177 V178 R179 T276 R279 L280	E168-F172 HydrophobicContact CB-CD2 4.34Å; E168-F172 HydrophobicContact CG-CE2 4.44Å; E168-F172 WeakPolarHBondContact O-CD2 3.35Å; E168-F172 PolarHBondContact O-N 3.36Å; F172-M177 CarbonylContact C-O 3.56Å; F172-M177 VanDerWaalsContact CA-O 3.25Å; F172-M177 WeakPolarHBondContact CA-O 3.17Å; F172-V178 HydrophobicContact CD1-CG2 3.91Å; F172-V178 HydrophobicContact CE1-CG2 3.57Å; F172-R179 PolarHBondContact O-NE 3.3Å; F172-T276 HydrophobicContact CE2-CG2 3.77Å; F172-T276 HydrophobicContact CZ-CG2 4.09Å; F172-R279 HydrophobicContact CE1-CB 4.01Å; F172-R279 HydrophobicContact CZ-CB 3.89Å; F172-L280 HydrophobicContact CZ-CG 4.4Å
173	D	96.4	Very high	96.5	Very high	53 Å²	53	70.2 Å²	70.2	28%	0.283	40%	0.396	S	S	.	.			trans	-84.5	-177.5	168.3	63.3	36.6	0	0	0	112.3	T175 G176 M177 R179	D173-T175 PolarHBondContact O-N 2.83Å; D173-T175 WeakPolarHBondContact OD1-CA 3.26Å; D173-T175 WeakPolarHBondContact OD1-CB 3.34Å; D173-T175 PolarHBondContact OD1-N 2.81Å; D173-T175 PolarHBondContact OD1-OG1 2.88Å; D173-G176 PolarHBondContact O-N 2.89Å; D173-G176 VanDerWaalsContact O-N 3.09Å; D173-G176 PolarHBondContact OD1-N 3.44Å; D173-G176 VanDerWaalsContact OD1-N 3.1Å; D173-M177 PolarHBondContact N-O 3.42Å; D173-M177 PolarHBondContact OD1-N 2.86Å; D173-M177 WeakPolarHBondContact OD2-CB 3.5Å; D173-R179 HydrophobicContact CB-CG 4.14Å
174	S	94.7	Very high	96.6	Very high	124 Å²	124	64.8 Å²	64.8	87%	0.867	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.8	-179.6	48.2	0	0	0	0	113.6	G176	S174-G176 VanDerWaalsContact C-N 3.33Å
175	T	95.5	Very high	96.8	Very high	108 Å²	108	62.6 Å²	62.6	66%	0.663	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.5	176.6	72.8	0	0	0	0	112.4	D173 M177	D173-T175 PolarHBondContact O-N 2.83Å; D173-T175 WeakPolarHBondContact OD1-CA 3.26Å; D173-T175 WeakPolarHBondContact OD1-CB 3.34Å; D173-T175 PolarHBondContact OD1-N 2.81Å; D173-T175 PolarHBondContact OD1-OG1 2.88Å; T175-M177 WeakPolarHBondContact OG1-CG 3.47Å
176	G	93.6	Very high	97	Very high	28 Å²	28	63 Å²	63	29%	0.289	34%	0.342	S	S	.	.	S	Bend	trans	82.9	16.3	-173.2	0	0	0	0	0	113.8	D173 S174 R279	D173-G176 PolarHBondContact O-N 2.89Å; D173-G176 VanDerWaalsContact O-N 3.09Å; D173-G176 PolarHBondContact OD1-N 3.44Å; D173-G176 VanDerWaalsContact OD1-N 3.1Å; S174-G176 VanDerWaalsContact C-N 3.33Å; G176-R279 PolarHBondContact O-NH2 3.26Å
177	M	96.6	Very high	97.1	Very high	125 Å²	125	61.6 Å²	61.6	62%	0.616	33%	0.325	S	S	*	.			trans	-85.5	150.5	172	-64.5	-63.1	-74.6	0	0	110.8	F172 D173 T175 R179	F172-M177 CarbonylContact C-O 3.56Å; F172-M177 VanDerWaalsContact CA-O 3.25Å; F172-M177 WeakPolarHBondContact CA-O 3.17Å; D173-M177 PolarHBondContact N-O 3.42Å; D173-M177 PolarHBondContact OD1-N 2.86Å; D173-M177 WeakPolarHBondContact OD2-CB 3.5Å; T175-M177 WeakPolarHBondContact OG1-CG 3.47Å; M177-R179 PolarHBondContact O-N 3.42Å
178	V	98.2	Very high	97.1	Very high	23 Å²	23	61.3 Å²	61.3	14%	0.139	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-70	125.8	177.2	174.8	0	0	0	0	109.5	V171 F172 A180 I185 L280 F283	V171-V178 CarbonylContact O-C 3.57Å; V171-V178 WeakPolarHBondContact O-CA 3.4Å; F172-V178 HydrophobicContact CD1-CG2 3.91Å; F172-V178 HydrophobicContact CE1-CG2 3.57Å; V178-A180 PolarHBondContact O-N 3.43Å; V178-I185 HydrophobicContact CG1-CD1 3.97Å; V178-I185 HydrophobicContact CG1-CG1 4.22Å; V178-I185 HydrophobicContact CG1-CG2 3.95Å; V178-L280 HydrophobicContact CG1-CD2 4.32Å; V178-L280 HydrophobicContact CG2-CD2 4.09Å; V178-F283 HydrophobicContact CB-CB 4.34Å; V178-F283 HydrophobicContact CB-CD1 4.26Å; V178-F283 HydrophobicContact CB-CD2 3.63Å; V178-F283 HydrophobicContact CB-CE2 3.94Å; V178-F283 HydrophobicContact CB-CG 3.8Å; V178-F283 HydrophobicContact CB-CZ 4.38Å; V178-F283 HydrophobicContact CG1-CD1 3.75Å; V178-F283 HydrophobicContact CG1-CD2 3.94Å; V178-F283 HydrophobicContact CG1-CE1 3.77Å; V178-F283 HydrophobicContact CG1-CE2 3.95Å; V178-F283 HydrophobicContact CG1-CG 3.84Å; V178-F283 HydrophobicContact CG1-CZ 3.87Å; V178-F283 HydrophobicContact CG2-CB 3.78Å; V178-F283 HydrophobicContact CG2-CD1 4.38Å; V178-F283 HydrophobicContact CG2-CD2 4.02Å; V178-F283 HydrophobicContact CG2-CG 3.8Å
179	R	98.2	Very high	97.2	Very high	121 Å²	121	58.3 Å²	58.3	46%	0.457	31%	0.31	S	S	.	.			trans	-71.9	85.8	174.6	-66.3	178.5	-179.6	-112.9	0.9	110.2	S170 V171 F172 D173 M177 C181 Y182	S170-R179 WeakPolarHBondContact O-CD 3.39Å; V171-R179 PolarHBondContact O-N 3.11Å; F172-R179 PolarHBondContact O-NE 3.3Å; D173-R179 HydrophobicContact CB-CG 4.14Å; M177-R179 PolarHBondContact O-N 3.42Å; R179-C181 PolarHBondContact O-N 3.12Å; R179-C181 VanDerWaalsContact O-N 3.17Å; R179-Y182 WeakPolarHBondContact O-CB 3.42Å; R179-Y182 PolarHBondContact O-N 2.64Å
180	A	97.1	Very high	97.3	Very high	36 Å²	36	48.8 Å²	48.8	30%	0.298	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35.5	-177.6	0	0	0	0	0	113.5	V178 Y182 I186 F283	V178-A180 PolarHBondContact O-N 3.43Å; A180-Y182 VanDerWaalsContact C-N 3.26Å; A180-Y182 PolarHBondContact O-N 3.32Å; A180-I186 WeakPolarHBondContact O-CB 3.4Å; A180-I186 PolarHBondContact O-N 3.4Å; A180-F283 HydrophobicContact CB-CE2 4.46Å; A180-F283 HydrophobicContact CB-CZ 4.05Å
181	C	96.6	Very high	97.3	Very high	119 Å²	119	48 Å²	48	80%	0.804	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.4	178.9	-58.2	0	0	0	0	114	R179 K183	R179-C181 PolarHBondContact O-N 3.12Å; R179-C181 VanDerWaalsContact O-N 3.17Å; C181-K183 PolarHBondContact O-N 3.26Å
182	Y	97.7	Very high	97.3	Very high	57 Å²	57	51.3 Å²	51.3	22%	0.224	29%	0.286	C	S	.	.	S	Bend	trans	-63.2	129.1	177.4	179.8	-128.4	0	0	0	109.8	Y150 V171 R179 A180 P184 I185 I186	Y150-Y182 WeakPolarHBondContact CD2-OH 3.11Å; V171-Y182 HydrophobicContact CG1-CD1 3.9Å; V171-Y182 HydrophobicContact CG1-CE1 3.88Å; R179-Y182 WeakPolarHBondContact O-CB 3.42Å; R179-Y182 PolarHBondContact O-N 2.64Å; A180-Y182 VanDerWaalsContact C-N 3.26Å; A180-Y182 PolarHBondContact O-N 3.32Å; Y182-P184 HydrophobicContact CD1-CB 4.15Å; Y182-P184 HydrophobicContact CD1-CG 4.11Å; Y182-P184 HydrophobicContact CE1-CB 3.77Å; Y182-P184 VanDerWaalsContact CE1-CD 3.42Å; Y182-P184 HydrophobicContact CE1-CG 3.45Å; Y182-P184 VanDerWaalsContact CE1-CG 3.45Å; Y182-P184 HydrophobicContact CE2-CG 4.28Å; Y182-P184 VanDerWaalsContact CZ-CD 3.4Å; Y182-I185 HydrophobicContact CD1-CG1 3.97Å; Y182-I185 WeakPolarHBondContact O-CA 3.21Å; Y182-I185 WeakPolarHBondContact O-CB 3.48Å; Y182-I185 PolarHBondContact O-N 3.26Å; Y182-I186 PolarHBondContact O-N 3.39Å
183	K	97	Very high	97.4	Very high	118 Å²	118	51 Å²	51	51%	0.513	28%	0.284	S	S	.	.	H	α-helix	trans	-55.2	-44.6	-166	-169.8	61.9	167	158.7	0	113.9	C181 I185 I186 N187	C181-K183 PolarHBondContact O-N 3.26Å; K183-I185 VanDerWaalsContact C-N 3.32Å; K183-I185 PolarHBondContact O-N 3.11Å; K183-I186 HydrophobicContact CD-CG2 4.13Å; K183-I186 WeakPolarHBondContact O-CG2 3.4Å; K183-N187 WeakPolarHBondContact CD-OD1 3.44Å; K183-N187 WeakPolarHBondContact CE-OD1 3.43Å; K183-N187 PolarHBondContact NZ-OD1 3.06Å; K183-N187 VanDerWaalsContact O-CB 3.22Å; K183-N187 WeakPolarHBondContact O-CB 3.44Å; K183-N187 PolarHBondContact O-N 2.93Å; K183-N187 VanDerWaalsContact O-N 3.14Å; K183-N187 PolarHBondContact O-ND2 3.03Å; K183-N187 PolarHBondContact O-OD1 3.4Å
184	P	97.7	Very high	97.5	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-30.7	169.8	-30	38.9	0	0	0	115.5	R145 T146 D149 Y182 S188	R145-P184 PolarHBondContact NH1-O 3.16Å; T146-P184 HydrophobicContact CG2-CB 3.91Å; T146-P184 PolarHBondContact OG1-O 2.79Å; D149-P184 HydrophobicContact CB-CB 4.26Å; Y182-P184 HydrophobicContact CD1-CB 4.15Å; Y182-P184 HydrophobicContact CD1-CG 4.11Å; Y182-P184 HydrophobicContact CE1-CB 3.77Å; Y182-P184 VanDerWaalsContact CE1-CD 3.42Å; Y182-P184 HydrophobicContact CE1-CG 3.45Å; Y182-P184 VanDerWaalsContact CE1-CG 3.45Å; Y182-P184 HydrophobicContact CE2-CG 4.28Å; Y182-P184 VanDerWaalsContact CZ-CD 3.4Å; P184-S188 PolarHBondContact O-OG 3.48Å
185	I	98.5	Very high	97.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-76.6	-55.2	177.4	-63.5	-72	0	0	0	110.5	T146 V171 V178 Y182 K183 N187 S188 L189 L280 F283 F284	T146-I185 HydrophobicContact CG2-CD1 3.63Å; T146-I185 HydrophobicContact CG2-CG1 4.3Å; V171-I185 HydrophobicContact CB-CD1 4.39Å; V171-I185 HydrophobicContact CG1-CD1 4.27Å; V171-I185 HydrophobicContact CG1-CG1 4.41Å; V178-I185 HydrophobicContact CG1-CD1 3.97Å; V178-I185 HydrophobicContact CG1-CG1 4.22Å; V178-I185 HydrophobicContact CG1-CG2 3.95Å; Y182-I185 HydrophobicContact CD1-CG1 3.97Å; Y182-I185 WeakPolarHBondContact O-CA 3.21Å; Y182-I185 WeakPolarHBondContact O-CB 3.48Å; Y182-I185 PolarHBondContact O-N 3.26Å; K183-I185 VanDerWaalsContact C-N 3.32Å; K183-I185 PolarHBondContact O-N 3.11Å; I185-N187 VanDerWaalsContact C-N 3.28Å; I185-N187 PolarHBondContact O-N 3.32Å; I185-S188 WeakPolarHBondContact O-CA 3.47Å; I185-S188 WeakPolarHBondContact O-CB 3.44Å; I185-S188 PolarHBondContact O-N 3.27Å; I185-L189 PolarHBondContact O-N 3.06Å; I185-L280 HydrophobicContact CD1-CD2 3.67Å; I185-F283 HydrophobicContact CG2-CD1 4.46Å; I185-F283 HydrophobicContact CG2-CE1 3.53Å; I185-F283 HydrophobicContact CG2-CZ 3.97Å; I185-F284 HydrophobicContact CD1-CE2 4.32Å; I185-F284 HydrophobicContact CD1-CZ 3.85Å; I185-F284 HydrophobicContact CG2-CE1 4.27Å; I185-F284 HydrophobicContact CG2-CZ 4.2Å
186	I	98.1	Very high	97.8	Very high	56 Å²	56	47 Å²	47	29%	0.287	23%	0.234	S	C	.	.	H	α-helix	trans	-58.2	-40.6	-177.7	-168.1	168.5	0	0	0	111.9	A180 Y182 K183 S188 L189 H193	A180-I186 WeakPolarHBondContact O-CB 3.4Å; A180-I186 PolarHBondContact O-N 3.4Å; Y182-I186 PolarHBondContact O-N 3.39Å; K183-I186 HydrophobicContact CD-CG2 4.13Å; K183-I186 WeakPolarHBondContact O-CG2 3.4Å; I186-S188 PolarHBondContact O-N 3.48Å; I186-S188 VanDerWaalsContact O-N 3.13Å; I186-L189 HydrophobicContact CG1-CD1 4.47Å; I186-L189 WeakPolarHBondContact O-CB 3.12Å; I186-L189 PolarHBondContact O-N 3.37Å; I186-H193 PolarHBondContact O-NE2 3.3Å
187	N	98.1	Very high	98	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.059	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.6	177.4	-71.3	-3.8	0	0	0	113.3	V118 K183 I185	V118-N187 HydrophobicContact CG1-CB 4.08Å; K183-N187 WeakPolarHBondContact CD-OD1 3.44Å; K183-N187 WeakPolarHBondContact CE-OD1 3.43Å; K183-N187 PolarHBondContact NZ-OD1 3.06Å; K183-N187 VanDerWaalsContact O-CB 3.22Å; K183-N187 WeakPolarHBondContact O-CB 3.44Å; K183-N187 PolarHBondContact O-N 2.93Å; K183-N187 VanDerWaalsContact O-N 3.14Å; K183-N187 PolarHBondContact O-ND2 3.03Å; K183-N187 PolarHBondContact O-OD1 3.4Å; I185-N187 VanDerWaalsContact C-N 3.28Å; I185-N187 PolarHBondContact O-N 3.32Å
188	S	98.5	Very high	98.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.5	174.5	-56.7	0	0	0	0	112.8	P142 R145 T146 P184 I185 I186 Y190	P142-S188 PolarHBondContact O-OG 2.92Å; R145-S188 WeakPolarHBondContact CD-OG 3.17Å; R145-S188 PolarHBondContact NH1-OG 3.22Å; T146-S188 PolarHBondContact OG1-OG 3.49Å; P184-S188 PolarHBondContact O-OG 3.48Å; I185-S188 WeakPolarHBondContact O-CA 3.47Å; I185-S188 WeakPolarHBondContact O-CB 3.44Å; I185-S188 PolarHBondContact O-N 3.27Å; I186-S188 PolarHBondContact O-N 3.48Å; I186-S188 VanDerWaalsContact O-N 3.13Å; S188-Y190 PolarHBondContact O-N 3.34Å
189	L	98.3	Very high	98.1	Very high	5 Å²	5	45 Å²	45	3%	0.026	23%	0.23	C	C	.	.			trans	-81.2	66.8	173.8	-58.1	-178.3	0	0	0	110.3	I185 I186 V191 I192 F283 F284 Y287	I185-L189 PolarHBondContact O-N 3.06Å; I186-L189 HydrophobicContact CG1-CD1 4.47Å; I186-L189 WeakPolarHBondContact O-CB 3.12Å; I186-L189 PolarHBondContact O-N 3.37Å; L189-V191 VanDerWaalsContact C-N 3.25Å; L189-V191 PolarHBondContact O-N 2.98Å; L189-V191 VanDerWaalsContact O-N 3.11Å; L189-I192 HydrophobicContact CB-CD1 3.71Å; L189-I192 HydrophobicContact CB-CG1 4.13Å; L189-I192 HydrophobicContact CD1-CD1 3.67Å; L189-I192 HydrophobicContact CG-CD1 4.34Å; L189-I192 WeakPolarHBondContact O-CB 3.44Å; L189-I192 PolarHBondContact O-N 2.89Å; L189-F283 HydrophobicContact CD2-CE1 3.92Å; L189-F283 HydrophobicContact CD2-CZ 4.31Å; L189-F284 HydrophobicContact CD2-CD1 3.81Å; L189-F284 HydrophobicContact CD2-CE1 3.73Å; L189-Y287 HydrophobicContact CD1-CE1 4.41Å; L189-Y287 HydrophobicContact CD2-CD1 4Å; L189-Y287 HydrophobicContact CD2-CD2 3.66Å; L189-Y287 HydrophobicContact CD2-CE1 4.28Å; L189-Y287 HydrophobicContact CD2-CE2 3.96Å; L189-Y287 HydrophobicContact CD2-CG 3.68Å
190	Y	98.6	Very high	98.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-34.7	-167.2	-58.9	-30.7	0	0	0	114.7	A54 F117 V139 R140 P142 R145 S188 I192 H193 L194 F291 W301	A54-Y190 HydrophobicContact CB-CE1 3.72Å; F117-Y190 AromaticContact CE1-CD1 3.73Å; F117-Y190 HydrophobicContact CE1-CD1 3.73Å; F117-Y190 HydrophobicContact CE1-CE1 4.42Å; F117-Y190 HydrophobicContact CE1-CG 4.34Å; F117-Y190 HydrophobicContact CZ-CD1 4.41Å; V139-Y190 HydrophobicContact CB-CD2 4.18Å; V139-Y190 HydrophobicContact CB-CE2 3.91Å; V139-Y190 HydrophobicContact CG1-CD2 3.99Å; V139-Y190 HydrophobicContact CG1-CE2 4.09Å; V139-Y190 HydrophobicContact CG1-CG 4.23Å; R140-Y190 WeakPolarHBondContact O-CE2 3.29Å; R140-Y190 PolarHBondContact O-OH 3.12Å; P142-Y190 HydrophobicContact CB-CE2 4.5Å; R145-Y190 WeakPolarHBondContact CG-OH 3.42Å; S188-Y190 PolarHBondContact O-N 3.34Å; Y190-I192 VanDerWaalsContact C-N 3.26Å; Y190-I192 PolarHBondContact O-N 2.8Å; Y190-H193 PolarHBondContact O-N 3.45Å; Y190-L194 WeakPolarHBondContact O-CB 3.38Å; Y190-L194 PolarHBondContact O-N 3.02Å; Y190-F291 VanDerWaalsContact CB-CD2 3.46Å; Y190-F291 HydrophobicContact CD2-CD1 4.5Å; Y190-F291 HydrophobicContact CD2-CE1 4.41Å; Y190-W301 AromaticContact CD2-CH2 3.94Å; Y190-W301 HydrophobicContact CD2-CH2 3.94Å; Y190-W301 AromaticContact CD2-CZ3 3.76Å; Y190-W301 HydrophobicContact CD2-CZ3 3.76Å; Y190-W301 AromaticContact CE2-CH2 3.82Å; Y190-W301 HydrophobicContact CE2-CH2 3.82Å; Y190-W301 AromaticContact CE2-CZ3 3.85Å; Y190-W301 HydrophobicContact CE2-CZ3 3.85Å
191	V	98.5	Very high	98.2	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-36.8	177.9	65.1	0	0	0	0	113	L189 H193 R195 Y287 L290 F291	L189-V191 VanDerWaalsContact C-N 3.25Å; L189-V191 PolarHBondContact O-N 2.98Å; L189-V191 VanDerWaalsContact O-N 3.11Å; V191-H193 VanDerWaalsContact C-N 3.3Å; V191-H193 PolarHBondContact O-N 3.19Å; V191-R195 HydrophobicContact CG2-CG 4.26Å; V191-R195 WeakPolarHBondContact O-CB 3.39Å; V191-R195 VanDerWaalsContact O-CG 3.31Å; V191-R195 WeakPolarHBondContact O-CG 3.31Å; V191-R195 PolarHBondContact O-N 3.11Å; V191-Y287 HydrophobicContact CG1-CD1 4.09Å; V191-L290 HydrophobicContact CB-CB 4.25Å; V191-L290 HydrophobicContact CG1-CB 4.29Å; V191-L290 HydrophobicContact CG2-CB 3.81Å; V191-F291 HydrophobicContact CB-CB 4.05Å
192	I	98.1	Very high	98.3	Very high	71 Å²	71	39.1 Å²	39.1	36%	0.364	19%	0.192	S	C	.	.	H	α-helix	trans	-63.1	-44.3	180	-62.1	179.2	0	0	0	109.7	L189 Y190	L189-I192 HydrophobicContact CB-CD1 3.71Å; L189-I192 HydrophobicContact CB-CG1 4.13Å; L189-I192 HydrophobicContact CD1-CD1 3.67Å; L189-I192 HydrophobicContact CG-CD1 4.34Å; L189-I192 WeakPolarHBondContact O-CB 3.44Å; L189-I192 PolarHBondContact O-N 2.89Å; Y190-I192 VanDerWaalsContact C-N 3.26Å; Y190-I192 PolarHBondContact O-N 2.8Å
193	H	98.6	Very high	98.3	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.028	21%	0.208	C	C	.	.	H	α-helix	trans	-75.1	-45.7	-178.2	-59	-47.3	0	0	0	111.5	F117 I186 Y190 V191 R195 R196 W197	F117-H193 HydrophobicContact CD1-CB 4.16Å; F117-H193 HydrophobicContact CD2-CB 3.93Å; F117-H193 HydrophobicContact CE1-CB 3.83Å; F117-H193 HydrophobicContact CE2-CB 3.56Å; F117-H193 HydrophobicContact CG-CB 4.21Å; F117-H193 HydrophobicContact CZ-CB 3.52Å; F117-H193 WeakPolarHBondContact O-CB 3.48Å; I186-H193 PolarHBondContact O-NE2 3.3Å; Y190-H193 PolarHBondContact O-N 3.45Å; V191-H193 VanDerWaalsContact C-N 3.3Å; V191-H193 PolarHBondContact O-N 3.19Å; H193-R195 PolarHBondContact O-N 3.07Å; H193-R196 WeakPolarHBondContact O-CB 3.39Å; H193-R196 PolarHBondContact O-N 3.47Å; H193-R196 VanDerWaalsContact O-N 3.11Å; H193-W197 VanDerWaalsContact O-CD1 3.32Å; H193-W197 PolarHBondContact O-N 3.09Å; H193-W197 VanDerWaalsContact O-N 3.16Å
194	L	98.6	Very high	98.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-45.5	178.9	178.1	60.6	0	0	0	111.5	F117 L137 Y190 R196 W197 L198 V206 I208 F291 C294 A295	F117-L194 HydrophobicContact CE2-CB 4.38Å; L137-L194 HydrophobicContact CD2-CD1 3.97Å; Y190-L194 WeakPolarHBondContact O-CB 3.38Å; Y190-L194 PolarHBondContact O-N 3.02Å; L194-R196 PolarHBondContact O-N 3.07Å; L194-W197 PolarHBondContact O-N 3.38Å; L194-L198 HydrophobicContact CD1-CD1 4.06Å; L194-L198 HydrophobicContact CD1-CD2 4.36Å; L194-L198 HydrophobicContact CD1-CG 3.92Å; L194-L198 HydrophobicContact CD2-CD1 4.28Å; L194-L198 HydrophobicContact CG-CD1 3.79Å; L194-L198 HydrophobicContact CG-CG 4.11Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 3.35Å; L194-V206 HydrophobicContact CD1-CG1 4.46Å; L194-I208 HydrophobicContact CD1-CD1 4.41Å; L194-I208 HydrophobicContact CD2-CD1 4.09Å; L194-F291 HydrophobicContact CB-CD2 4.25Å; L194-F291 HydrophobicContact CB-CE2 4.12Å; L194-F291 HydrophobicContact CD2-CD2 3.73Å; L194-F291 HydrophobicContact CD2-CE2 3.53Å; L194-F291 HydrophobicContact CG-CE2 4.38Å; L194-C294 HydrophobicContact CD2-CB 3.82Å; L194-A295 HydrophobicContact CD2-CB 4.27Å
195	R	98.5	Very high	98.3	Very high	138 Å²	138	39.3 Å²	39.3	52%	0.521	22%	0.218	S	C	.	.	H	α-helix	trans	-57.8	-37.4	176.9	-76.8	178.8	175.8	-178.8	-3.4	112.8	V191 H193 L198 A199	V191-R195 HydrophobicContact CG2-CG 4.26Å; V191-R195 WeakPolarHBondContact O-CB 3.39Å; V191-R195 VanDerWaalsContact O-CG 3.31Å; V191-R195 WeakPolarHBondContact O-CG 3.31Å; V191-R195 PolarHBondContact O-N 3.11Å; H193-R195 PolarHBondContact O-N 3.07Å; R195-L198 PolarHBondContact O-N 3.13Å; R195-A199 PolarHBondContact O-N 3.29Å; R195-A199 VanDerWaalsContact O-N 3.12Å
196	R	98.5	Very high	98.3	Very high	60 Å²	60	40.2 Å²	40.2	23%	0.226	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-43.3	175.6	-167.5	-172.7	-59.3	130.7	4.1	111.6	V118 S119 P123 H193 L194 A199 Y200	V118-R196 PolarHBondContact O-NH1 3.15Å; S119-R196 WeakPolarHBondContact O-CD 3.35Å; S119-R196 PolarHBondContact O-NH1 3.14Å; P123-R196 HydrophobicContact CG-CG 4.16Å; H193-R196 WeakPolarHBondContact O-CB 3.39Å; H193-R196 PolarHBondContact O-N 3.47Å; H193-R196 VanDerWaalsContact O-N 3.11Å; L194-R196 PolarHBondContact O-N 3.07Å; R196-A199 WeakPolarHBondContact O-CB 3.48Å; R196-A199 PolarHBondContact O-N 3.31Å; R196-Y200 WeakPolarHBondContact O-CD2 3.33Å
197	W	98.7	Very high	98.3	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-40.1	176.2	-79.5	87.7	0	0	0	112.1	I52 Y116 F117 A122 P123 V126 L135 H193 L194 A199 Y200 F201	I52-W197 HydrophobicContact CB-CH2 4.47Å; I52-W197 HydrophobicContact CB-CZ2 4.26Å; I52-W197 HydrophobicContact CD1-CD2 3.62Å; I52-W197 HydrophobicContact CD1-CE3 3.98Å; I52-W197 HydrophobicContact CD1-CG 4.05Å; I52-W197 HydrophobicContact CD1-CH2 4.3Å; I52-W197 HydrophobicContact CD1-CZ2 4Å; I52-W197 HydrophobicContact CD1-CZ3 4.29Å; I52-W197 HydrophobicContact CG2-CH2 3.63Å; I52-W197 HydrophobicContact CG2-CZ2 3.9Å; I52-W197 HydrophobicContact CG2-CZ3 4.15Å; Y116-W197 WeakPolarHBondContact O-CZ2 3.49Å; Y116-W197 PolarHBondContact O-NE1 3.15Å; F117-W197 AromaticContact CD2-CD1 3.85Å; F117-W197 AromaticContact CD2-NE1 3.96Å; F117-W197 PolarHBondContact O-NE1 2.81Å; F117-W197 VanDerWaalsContact O-NE1 3.07Å; A122-W197 HydrophobicContact CB-CH2 4.39Å; A122-W197 HydrophobicContact CB-CZ2 4.11Å; P123-W197 HydrophobicContact CB-CD2 4.18Å; P123-W197 HydrophobicContact CB-CE3 4.16Å; P123-W197 HydrophobicContact CB-CZ3 4.45Å; P123-W197 HydrophobicContact CG-CD2 3.81Å; P123-W197 HydrophobicContact CG-CE3 4.26Å; P123-W197 HydrophobicContact CG-CG 4.11Å; P123-W197 HydrophobicContact CG-CZ2 4.05Å; V126-W197 HydrophobicContact CB-CZ3 4.39Å; V126-W197 HydrophobicContact CG2-CH2 4.04Å; V126-W197 HydrophobicContact CG2-CZ3 4.35Å; L135-W197 HydrophobicContact CD1-CE3 3.42Å; L135-W197 VanDerWaalsContact CD1-CE3 3.42Å; L135-W197 HydrophobicContact CD1-CZ3 3.65Å; L135-W197 HydrophobicContact CD2-CE3 4.42Å; L135-W197 HydrophobicContact CD2-CZ3 3.83Å; L135-W197 HydrophobicContact CG-CZ3 4.41Å; H193-W197 VanDerWaalsContact O-CD1 3.32Å; H193-W197 PolarHBondContact O-N 3.09Å; H193-W197 VanDerWaalsContact O-N 3.16Å; L194-W197 PolarHBondContact O-N 3.38Å; W197-A199 PolarHBondContact O-N 3.44Å; W197-Y200 PolarHBondContact O-N 3.21Å; W197-F201 AromaticContact CE3-CD2 3.96Å; W197-F201 HydrophobicContact CE3-CD2 3.96Å; W197-F201 HydrophobicContact CE3-CE2 4.08Å; W197-F201 HydrophobicContact CZ3-CD2 4.32Å; W197-F201 AromaticContact CZ3-CE2 4Å; W197-F201 HydrophobicContact CZ3-CE2 4Å; W197-F201 PolarHBondContact O-N 2.89Å
198	L	98.3	Very high	98.4	Very high	52 Å²	52	39 Å²	39	27%	0.272	22%	0.216	S	C	.	.	H	α-helix	trans	-67.6	-17.1	178.4	-68.2	177.6	0	0	0	113.9	L194 R195 Y200 F201 A203 V206 C294	L194-L198 HydrophobicContact CD1-CD1 4.06Å; L194-L198 HydrophobicContact CD1-CD2 4.36Å; L194-L198 HydrophobicContact CD1-CG 3.92Å; L194-L198 HydrophobicContact CD2-CD1 4.28Å; L194-L198 HydrophobicContact CG-CD1 3.79Å; L194-L198 HydrophobicContact CG-CG 4.11Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 3.35Å; R195-L198 PolarHBondContact O-N 3.13Å; L198-Y200 PolarHBondContact O-N 3.05Å; L198-F201 WeakPolarHBondContact CA-O 3.39Å; L198-A203 HydrophobicContact CD2-CB 4.13Å; L198-V206 HydrophobicContact CD2-CG2 4.32Å; L198-C294 HydrophobicContact CD1-CB 4.49Å
199	A	98.3	Very high	98.3	Very high	83 Å²	83	39 Å²	39	69%	0.686	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-19.8	171	0	0	0	0	0	113.1	R195 R196 W197	R195-A199 PolarHBondContact O-N 3.29Å; R195-A199 VanDerWaalsContact O-N 3.12Å; R196-A199 WeakPolarHBondContact O-CB 3.48Å; R196-A199 PolarHBondContact O-N 3.31Å; W197-A199 PolarHBondContact O-N 3.44Å
200	Y	98.7	Very high	98.3	Very high	84 Å²	84	39.6 Å²	39.6	33%	0.329	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-27.7	-178.7	-67.9	-92.4	0	0	0	113.1	P123 E124 R127 R196 W197 L198	P123-Y200 HydrophobicContact CB-CD2 3.46Å; P123-Y200 VanDerWaalsContact CB-CD2 3.46Å; P123-Y200 HydrophobicContact CB-CE2 3.96Å; P123-Y200 HydrophobicContact CB-CG 3.9Å; E124-Y200 HydrophobicContact CB-CD1 4.17Å; E124-Y200 HydrophobicContact CB-CE1 3.49Å; E124-Y200 VanDerWaalsContact CB-CE1 3.49Å; E124-Y200 HydrophobicContact CG-CE1 3.82Å; R127-Y200 HydrophobicContact CB-CD1 4.2Å; R127-Y200 WeakPolarHBondContact CD-O 3.34Å; R127-Y200 HydrophobicContact CG-CD1 4.35Å; R196-Y200 WeakPolarHBondContact O-CD2 3.33Å; W197-Y200 PolarHBondContact O-N 3.21Å; L198-Y200 PolarHBondContact O-N 3.05Å
201	F	98.6	Very high	98.2	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.22	C	C	.	.	S	Bend	trans	-127.8	132	-176.8	-64.7	-84.2	0	0	0	110.9	P123 V126 R127 M133 L135 W197 L198 Q205 V206	P123-F201 WeakPolarHBondContact O-CE2 3.47Å; V126-F201 HydrophobicContact CB-CE2 4.3Å; V126-F201 HydrophobicContact CB-CZ 4.05Å; V126-F201 HydrophobicContact CG1-CE2 4.2Å; V126-F201 HydrophobicContact CG1-CZ 3.64Å; R127-F201 HydrophobicContact CB-CE1 4.41Å; R127-F201 HydrophobicContact CB-CE2 4.02Å; R127-F201 HydrophobicContact CB-CZ 3.7Å; R127-F201 HydrophobicContact CG-CZ 4.5Å; M133-F201 HydrophobicContact CB-CE1 3.97Å; M133-F201 HydrophobicContact CB-CZ 4.44Å; L135-F201 HydrophobicContact CD1-CB 4.08Å; L135-F201 HydrophobicContact CD1-CD1 4.22Å; L135-F201 HydrophobicContact CD1-CD2 3.66Å; L135-F201 HydrophobicContact CD1-CE2 4.13Å; L135-F201 HydrophobicContact CD1-CG 3.7Å; W197-F201 AromaticContact CE3-CD2 3.96Å; W197-F201 HydrophobicContact CE3-CD2 3.96Å; W197-F201 HydrophobicContact CE3-CE2 4.08Å; W197-F201 HydrophobicContact CZ3-CD2 4.32Å; W197-F201 AromaticContact CZ3-CE2 4Å; W197-F201 HydrophobicContact CZ3-CE2 4Å; W197-F201 PolarHBondContact O-N 2.89Å; L198-F201 WeakPolarHBondContact CA-O 3.39Å; F201-Q205 HydrophobicContact CB-CB 4.43Å; F201-V206 HydrophobicContact CB-CG2 4.5Å
202	P	97.8	Very high	98.1	Very high	65 Å²	65	41 Å²	41	42%	0.422	23%	0.228	S	C	.	.			trans	-61.6	152.8	171.9	29.2	-35.8	0	0	0	110.7	S204 Q205	P202-S204 PolarHBondContact O-N 3.23Å; P202-S204 VanDerWaalsContact O-N 3.08Å; P202-Q205 HydrophobicContact CG-CB 4.33Å; P202-Q205 HydrophobicContact CG-CG 4Å; P202-Q205 PolarHBondContact O-N 3.47Å
203	A	97.4	Very high	97.9	Very high	66 Å²	66	41 Å²	41	55%	0.545	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-56.3	-29.4	180	0	0	0	0	0	113.1	L198 Q205 V206	L198-A203 HydrophobicContact CD2-CB 4.13Å; A203-Q205 PolarHBondContact O-N 3.46Å; A203-V206 PolarHBondContact O-N 3.41Å
204	S	97.7	Very high	97.8	Very high	89 Å²	89	41 Å²	41	62%	0.622	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-65.5	-15.4	175.6	58.9	0	0	0	0	114.6	P202	P202-S204 PolarHBondContact O-N 3.23Å; P202-S204 VanDerWaalsContact O-N 3.08Å
205	Q	98.5	Very high	97.5	Very high	29 Å²	29	44 Å²	44	14%	0.136	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-95.9	2.4	172.7	-74.1	179.7	-105.1	0	0	112.9	P131 S132 M133 L135 F201 P202 A203 F228	P131-Q205 PolarHBondContact O-NE2 2.79Å; S132-Q205 PolarHBondContact O-NE2 2.8Å; M133-Q205 PolarHBondContact O-NE2 2.97Å; L135-Q205 WeakPolarHBondContact CB-O 3.23Å; L135-Q205 PolarHBondContact N-O 2.96Å; F201-Q205 HydrophobicContact CB-CB 4.43Å; P202-Q205 HydrophobicContact CG-CB 4.33Å; P202-Q205 HydrophobicContact CG-CG 4Å; P202-Q205 PolarHBondContact O-N 3.47Å; A203-Q205 PolarHBondContact O-N 3.46Å; Q205-F228 WeakPolarHBondContact O-CZ 3.4Å
206	V	98.5	Very high	97.3	Very high	18 Å²	18	40.4 Å²	40.4	11%	0.109	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	108.2	-179.1	-172.7	0	0	0	0	110.5	L135 L137 L194 L198 F201 A203 I208	L135-V206 HydrophobicContact CB-CG2 4.31Å; L135-V206 HydrophobicContact CD1-CG2 4.06Å; L135-V206 CarbonylContact O-C 3.54Å; L135-V206 WeakPolarHBondContact O-CA 3.36Å; L137-V206 HydrophobicContact CB-CG1 4.22Å; L194-V206 HydrophobicContact CD1-CG1 4.46Å; L198-V206 HydrophobicContact CD2-CG2 4.32Å; F201-V206 HydrophobicContact CB-CG2 4.5Å; A203-V206 PolarHBondContact O-N 3.41Å; V206-I208 HydrophobicContact CG1-CG1 4.06Å
207	H	98.5	Very high	97.1	Very high	26 Å²	26	42.4 Å²	42.4	12%	0.12	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.2	168.1	177.3	66.3	0	0	0	110.5	L135 I136 L137 F228	L135-H207 PolarHBondContact O-N 3.36Å; I136-H207 CarbonylContact C-O 3.46Å; I136-H207 WeakPolarHBondContact CA-O 3.46Å; I136-H207 HydrophobicContact CG1-CB 4.43Å; L137-H207 PolarHBondContact N-O 3.5Å; H207-F228 HydrophobicContact CB-CB 4Å; H207-F228 HydrophobicContact CB-CD1 3.4Å; H207-F228 VanDerWaalsContact CB-CD1 3.4Å; H207-F228 HydrophobicContact CB-CD2 3.63Å; H207-F228 HydrophobicContact CB-CE1 3.61Å; H207-F228 HydrophobicContact CB-CE2 3.83Å; H207-F228 HydrophobicContact CB-CG 3.39Å; H207-F228 HydrophobicContact CB-CZ 3.81Å; H207-F228 AromaticContact CG-CG 4Å
208	I	98.4	Very high	97	Very high	16 Å²	16	42.5 Å²	42.5	8%	0.082	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.2	178.9	-54.2	176.7	0	0	0	108.5	L137 V139 L194 V206 F291 A295 R297 F299	L137-I208 HydrophobicContact CB-CG1 4.33Å; L137-I208 HydrophobicContact CD2-CD1 4.43Å; L137-I208 HydrophobicContact CD2-CG1 4.18Å; L137-I208 HydrophobicContact CG-CG1 4.47Å; L137-I208 HydrophobicContact CG-CG2 4.38Å; L137-I208 CarbonylContact O-C 3.46Å; L137-I208 VanDerWaalsContact O-CA 3.31Å; L137-I208 WeakPolarHBondContact O-CA 3.27Å; V139-I208 HydrophobicContact CG2-CG2 3.67Å; L194-I208 HydrophobicContact CD1-CD1 4.41Å; L194-I208 HydrophobicContact CD2-CD1 4.09Å; V206-I208 HydrophobicContact CG1-CG1 4.06Å; I208-F291 HydrophobicContact CD1-CZ 4.37Å; I208-F291 HydrophobicContact CG2-CZ 4.04Å; I208-A295 HydrophobicContact CD1-CB 3.4Å; I208-A295 VanDerWaalsContact CD1-CB 3.4Å; I208-R297 PolarHBondContact O-NH1 2.73Å; I208-F299 HydrophobicContact CG2-CZ 3.75Å
209	A	98.1	Very high	97	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	138.7	179.5	0	0	0	0	0	111.7	M62 L137 V138 V139 G211 E221	M62-A209 HydrophobicContact CE-CB 3.62Å; L137-A209 PolarHBondContact O-N 3.24Å; V138-A209 HydrophobicContact CG2-CB 4.35Å; V139-A209 WeakPolarHBondContact CG2-O 3.49Å; V139-A209 PolarHBondContact N-O 3.33Å; A209-G211 PolarHBondContact O-N 3.49Å; A209-E221 WeakPolarHBondContact CA-OE2 3.07Å; A209-E221 WeakPolarHBondContact CB-OE2 3.41Å
210	D	97.7	Very high	96.9	Very high	18 Å²	18	40.4 Å²	40.4	10%	0.096	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	108.4	175.7	-175.4	-13.8	0	0	0	110.4	D212 R213 L214 E221 F299	D210-D212 VanDerWaalsContact C-N 3.31Å; D210-D212 PolarHBondContact O-N 3.1Å; D210-D212 WeakPolarHBondContact OD1-CA 3.06Å; D210-D212 WeakPolarHBondContact OD1-CB 3.32Å; D210-D212 PolarHBondContact OD1-N 3.4Å; D210-R213 HydrophobicContact CB-CB 3.84Å; D210-R213 PolarHBondContact O-N 3.19Å; D210-R213 PolarHBondContact OD1-N 3.28Å; D210-R213 VanDerWaalsContact OD1-N 3.16Å; D210-L214 WeakPolarHBondContact O-CB 3.45Å; D210-L214 PolarHBondContact O-N 3.11Å; D210-E221 WeakPolarHBondContact CB-OE1 3.44Å; D210-E221 VanDerWaalsContact N-CD 3.31Å; D210-E221 PolarHBondContact N-OE1 3.43Å; D210-E221 PolarHBondContact N-OE2 3.31Å; D210-E221 VanDerWaalsContact N-OE2 3.12Å; D210-F299 HydrophobicContact CB-CD1 4.01Å; D210-F299 HydrophobicContact CB-CE1 3.78Å
211	G	96.3	Very high	96.9	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-68.1	-24.1	178.2	0	0	0	0	0	114.4	G57 V139 A209 I215	G57-G211 WeakPolarHBondContact O-CA 3.48Å; V139-G211 VanDerWaalsContact O-CA 3.24Å; V139-G211 WeakPolarHBondContact O-CA 3.08Å; V139-G211 PolarHBondContact O-N 2.76Å; A209-G211 PolarHBondContact O-N 3.49Å; G211-I215 WeakPolarHBondContact O-CG1 3.33Å; G211-I215 PolarHBondContact O-N 3.18Å
212	D	95.5	Very high	96.9	Very high	34 Å²	34	36.3 Å²	36.3	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-76	-38.8	172.1	-65.4	-57	0	0	0	110.3	R140 D141 D210 I215 S216 W301	R140-D212 VanDerWaalsContact CG-CG 3.41Å; R140-D212 WeakPolarHBondContact CG-OD1 3.4Å; R140-D212 VanDerWaalsContact CG-OD2 3.22Å; R140-D212 WeakPolarHBondContact CG-OD2 3.42Å; R140-D212 IonicContact CZ-OD1 3.21Å; R140-D212 IonicContact NE-OD1 3.8Å; R140-D212 PolarHBondContact NE-OD1 2.93Å; R140-D212 IonicContact NH2-OD1 3.92Å; D141-D212 PolarHBondContact N-OD2 2.81Å; D210-D212 VanDerWaalsContact C-N 3.31Å; D210-D212 PolarHBondContact O-N 3.1Å; D210-D212 WeakPolarHBondContact OD1-CA 3.06Å; D210-D212 WeakPolarHBondContact OD1-CB 3.32Å; D210-D212 PolarHBondContact OD1-N 3.4Å; D212-I215 PolarHBondContact O-N 2.61Å; D212-S216 PolarHBondContact O-N 2.94Å; D212-S216 PolarHBondContact O-OG 2.82Å; D212-W301 PolarHBondContact OD2-NE1 3.1Å
213	R	95.6	Very high	96.9	Very high	71 Å²	71	37 Å²	37	27%	0.268	21%	0.205	S	C	.	.	H	α-helix	trans	-67.7	-33.8	170.6	-164.2	166.2	68.8	171.6	4.2	112.3	D210 I215 S216 Q217 E221	D210-R213 HydrophobicContact CB-CB 3.84Å; D210-R213 PolarHBondContact O-N 3.19Å; D210-R213 PolarHBondContact OD1-N 3.28Å; D210-R213 VanDerWaalsContact OD1-N 3.16Å; R213-I215 PolarHBondContact O-N 2.93Å; R213-S216 PolarHBondContact O-N 2.82Å; R213-S216 PolarHBondContact O-OG 3.49Å; R213-Q217 HydrophobicContact CG-CB 4.06Å; R213-Q217 CarbonylContact O-C 3.55Å; R213-Q217 WeakPolarHBondContact O-CA 3.48Å; R213-Q217 PolarHBondContact O-N 3.38Å; R213-E221 HydrophobicContact CB-CG 4.2Å; R213-E221 HydrophobicContact CG-CG 4.42Å; R213-E221 IonicContact CZ-OE1 3.7Å; R213-E221 IonicContact NE-OE1 3.01Å; R213-E221 PolarHBondContact NE-OE1 3.42Å; R213-E221 IonicContact NH2-OE1 3.97Å; R213-E221 PolarHBondContact NH2-OE1 2.8Å; R213-E221 IonicContact NH2-OE2 2.66Å
214	L	95	Very high	96.9	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-27.6	174.8	-170.3	66	0	0	0	112.8	A61 M62 F65 D210 P218 E221	A61-L214 HydrophobicContact CB-CD2 3.97Å; M62-L214 HydrophobicContact CB-CD2 4.04Å; M62-L214 HydrophobicContact CE-CD1 4.15Å; M62-L214 HydrophobicContact CE-CD2 4.44Å; F65-L214 HydrophobicContact CD2-CD1 4.09Å; F65-L214 HydrophobicContact CE2-CD1 4.34Å; D210-L214 WeakPolarHBondContact O-CB 3.45Å; D210-L214 PolarHBondContact O-N 3.11Å; L214-P218 HydrophobicContact CD1-CB 4.18Å; L214-P218 WeakPolarHBondContact O-CB 3.21Å; L214-E221 HydrophobicContact CB-CG 4.44Å; L214-E221 HydrophobicContact CD1-CB 4Å
215	I	93	Very high	97	Very high	63 Å²	63	30.1 Å²	30.1	32%	0.323	15%	0.154	S	C	.	.	H	α-helix	trans	-76.7	-40.8	176.3	-67	163.8	0	0	0	111.3	G211 D212 R213 Y249	G211-I215 WeakPolarHBondContact O-CG1 3.33Å; G211-I215 PolarHBondContact O-N 3.18Å; D212-I215 PolarHBondContact O-N 2.61Å; R213-I215 PolarHBondContact O-N 2.93Å; I215-Y249 WeakPolarHBondContact O-CD2 3.37Å
216	S	93.5	Very high	97	Very high	63 Å²	63	28.8 Å²	28.8	44%	0.441	15%	0.148	S	C	.	.	H	α-helix	trans	-94.3	-36.3	-171.3	52	0	0	0	0	113.9	D212 R213 Y249	D212-S216 PolarHBondContact O-N 2.94Å; D212-S216 PolarHBondContact O-OG 2.82Å; R213-S216 PolarHBondContact O-N 2.82Å; R213-S216 PolarHBondContact O-OG 3.49Å; S216-Y249 WeakPolarHBondContact O-CE2 3.49Å
217	Q	95.1	Very high	97	Very high	103 Å²	103	36.2 Å²	36.2	48%	0.481	17%	0.174	S	C	.	.			trans	-142.9	63.6	-174.1	-63.6	177.7	75	0	0	110.1	R213 I219 I220	R213-Q217 HydrophobicContact CG-CB 4.06Å; R213-Q217 CarbonylContact O-C 3.55Å; R213-Q217 WeakPolarHBondContact O-CA 3.48Å; R213-Q217 PolarHBondContact O-N 3.38Å; Q217-I219 VanDerWaalsContact C-N 3.27Å; Q217-I219 PolarHBondContact O-N 2.92Å; Q217-I220 HydrophobicContact CB-CD1 3.91Å; Q217-I220 HydrophobicContact CB-CG1 4.28Å; Q217-I220 HydrophobicContact CG-CD1 4.47Å; Q217-I220 PolarHBondContact O-N 3.21Å
218	P	97	Very high	97	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.019	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-37.6	-172.7	21.2	-34.1	0	0	0	113.8	F65 L214 I220 E221 L222 L240 Y249	F65-P218 HydrophobicContact CD2-CB 4.32Å; F65-P218 HydrophobicContact CE2-CB 4.01Å; L214-P218 HydrophobicContact CD1-CB 4.18Å; L214-P218 WeakPolarHBondContact O-CB 3.21Å; P218-I220 PolarHBondContact O-N 2.88Å; P218-I220 VanDerWaalsContact O-N 3.16Å; P218-E221 PolarHBondContact O-N 3.29Å; P218-E221 VanDerWaalsContact O-N 3.12Å; P218-L222 HydrophobicContact CB-CD1 4.16Å; P218-L222 VanDerWaalsContact O-CG 3.25Å; P218-L222 WeakPolarHBondContact O-CG 3.26Å; P218-L222 PolarHBondContact O-N 3.41Å; P218-L240 HydrophobicContact CB-CD1 3.96Å; P218-L240 HydrophobicContact CG-CD1 3.69Å; P218-Y249 VanDerWaalsContact CD-CE2 3.47Å; P218-Y249 HydrophobicContact CG-CD1 3.91Å; P218-Y249 HydrophobicContact CG-CD2 3.6Å; P218-Y249 HydrophobicContact CG-CE1 4.23Å; P218-Y249 HydrophobicContact CG-CE2 3.97Å; P218-Y249 HydrophobicContact CG-CG 3.59Å
219	I	97.4	Very high	97	Very high	34 Å²	34	36.4 Å²	36.4	17%	0.174	18%	0.175	C	C	.	.	H	α-helix	trans	-57.2	-34.3	-175.9	-167.8	60.4	0	0	0	112.9	Q217 L222 Q223 I235 A237 L240	Q217-I219 VanDerWaalsContact C-N 3.27Å; Q217-I219 PolarHBondContact O-N 2.92Å; I219-L222 PolarHBondContact O-N 3.04Å; I219-Q223 HydrophobicContact CD1-CG 4.11Å; I219-Q223 HydrophobicContact CG1-CG 4.26Å; I219-Q223 WeakPolarHBondContact O-CB 3.34Å; I219-Q223 WeakPolarHBondContact O-CG 3.36Å; I219-Q223 PolarHBondContact O-N 3.02Å; I219-I235 HydrophobicContact CD1-CG2 4.1Å; I219-I235 WeakPolarHBondContact CD1-O 3.48Å; I219-A237 HydrophobicContact CG1-CB 4.24Å; I219-L240 HydrophobicContact CB-CD1 4.45Å
220	I	97.4	Very high	97	Very high	57 Å²	57	44.1 Å²	44.1	29%	0.292	21%	0.211	S	C	.	.	H	α-helix	trans	-68.2	-41.8	-179.2	-55.8	-179.6	0	0	0	111.1	Q217 P218 A224	Q217-I220 HydrophobicContact CB-CD1 3.91Å; Q217-I220 HydrophobicContact CB-CG1 4.28Å; Q217-I220 HydrophobicContact CG-CD1 4.47Å; Q217-I220 PolarHBondContact O-N 3.21Å; P218-I220 PolarHBondContact O-N 2.88Å; P218-I220 VanDerWaalsContact O-N 3.16Å; I220-A224 WeakPolarHBondContact O-CB 3.33Å; I220-A224 PolarHBondContact O-N 3.21Å
221	E	97.8	Very high	97	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-72.1	-34.1	176.4	-67.8	-63	150.1	0	0	111.6	M62 A209 D210 R213 L214 P218 A224 A225 R297	M62-E221 HydrophobicContact CE-CB 4.13Å; A209-E221 WeakPolarHBondContact CA-OE2 3.07Å; A209-E221 WeakPolarHBondContact CB-OE2 3.41Å; D210-E221 WeakPolarHBondContact CB-OE1 3.44Å; D210-E221 VanDerWaalsContact N-CD 3.31Å; D210-E221 PolarHBondContact N-OE1 3.43Å; D210-E221 PolarHBondContact N-OE2 3.31Å; D210-E221 VanDerWaalsContact N-OE2 3.12Å; R213-E221 HydrophobicContact CB-CG 4.2Å; R213-E221 HydrophobicContact CG-CG 4.42Å; R213-E221 IonicContact CZ-OE1 3.7Å; R213-E221 IonicContact NE-OE1 3.01Å; R213-E221 PolarHBondContact NE-OE1 3.42Å; R213-E221 IonicContact NH2-OE1 3.97Å; R213-E221 PolarHBondContact NH2-OE1 2.8Å; R213-E221 IonicContact NH2-OE2 2.66Å; L214-E221 HydrophobicContact CB-CG 4.44Å; L214-E221 HydrophobicContact CD1-CB 4Å; P218-E221 PolarHBondContact O-N 3.29Å; P218-E221 VanDerWaalsContact O-N 3.12Å; E221-A224 PolarHBondContact O-N 2.93Å; E221-A225 WeakPolarHBondContact O-CB 3.09Å; E221-A225 PolarHBondContact O-N 3.47Å; E221-R297 IonicContact OE1-CZ 3.2Å; E221-R297 IonicContact OE1-NH1 3.58Å; E221-R297 IonicContact OE1-NH2 3.75Å; E221-R297 PolarHBondContact OE1-NH2 3.2Å; E221-R297 IonicContact OE2-NH1 3.93Å; E221-R297 IonicContact OE2-NH2 2.83Å
222	L	98.4	Very high	97.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.2	-46.8	179.3	-65.9	165.6	0	0	0	111.9	M62 F65 L66 P218 I219 A224 A225 E226 I235 L240	M62-L222 HydrophobicContact SD-CD2 3.93Å; F65-L222 HydrophobicContact CB-CD1 3.63Å; F65-L222 HydrophobicContact CB-CD2 3.33Å; F65-L222 HydrophobicContact CB-CG 4.1Å; F65-L222 HydrophobicContact CD2-CD1 4.07Å; F65-L222 HydrophobicContact CD2-CD2 4.32Å; F65-L222 HydrophobicContact CG-CD1 4.04Å; F65-L222 HydrophobicContact CG-CD2 4.31Å; L66-L222 HydrophobicContact CD2-CD2 4.35Å; L66-L222 HydrophobicContact CG-CD2 4.39Å; P218-L222 HydrophobicContact CB-CD1 4.16Å; P218-L222 VanDerWaalsContact O-CG 3.25Å; P218-L222 WeakPolarHBondContact O-CG 3.26Å; P218-L222 PolarHBondContact O-N 3.41Å; I219-L222 PolarHBondContact O-N 3.04Å; L222-A224 VanDerWaalsContact C-N 3.26Å; L222-A224 PolarHBondContact O-N 3.37Å; L222-A225 CarbonylContact O-C 3.52Å; L222-A225 WeakPolarHBondContact O-CA 3.37Å; L222-A225 WeakPolarHBondContact O-CB 3.44Å; L222-A225 PolarHBondContact O-N 3.06Å; L222-E226 WeakPolarHBondContact O-CG 3.5Å; L222-E226 PolarHBondContact O-N 3.39Å; L222-I235 HydrophobicContact CB-CD1 4.35Å; L222-I235 HydrophobicContact CB-CG2 4.21Å; L222-I235 HydrophobicContact CD1-CG2 4.03Å; L222-L240 HydrophobicContact CD1-CD1 3.82Å
223	Q	98.2	Very high	97.1	Very high	78 Å²	78	53 Å²	53	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-66.8	-28.5	176.1	-70.3	176.9	-19.3	0	0	112.6	I219 E226 R227	I219-Q223 HydrophobicContact CD1-CG 4.11Å; I219-Q223 HydrophobicContact CG1-CG 4.26Å; I219-Q223 WeakPolarHBondContact O-CB 3.34Å; I219-Q223 WeakPolarHBondContact O-CG 3.36Å; I219-Q223 PolarHBondContact O-N 3.02Å; Q223-E226 WeakPolarHBondContact CA-OE2 3.22Å; Q223-R227 WeakPolarHBondContact O-CG 3.5Å; Q223-R227 PolarHBondContact O-N 2.91Å; Q223-R227 PolarHBondContact O-NE 3.45Å
224	A	98.2	Very high	97.2	Very high	11 Å²	11	54.7 Å²	54.7	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-68.6	-39.8	170.5	0	0	0	0	0	111.7	I220 E221 L222 F228	I220-A224 WeakPolarHBondContact O-CB 3.33Å; I220-A224 PolarHBondContact O-N 3.21Å; E221-A224 PolarHBondContact O-N 2.93Å; L222-A224 VanDerWaalsContact C-N 3.26Å; L222-A224 PolarHBondContact O-N 3.37Å; A224-F228 WeakPolarHBondContact O-CB 3.38Å; A224-F228 PolarHBondContact O-N 3.02Å
225	A	98.4	Very high	97.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-40.7	174.6	0	0	0	0	0	112.5	M62 L66 I136 E221 L222 R227 F228 L229	M62-A225 HydrophobicContact SD-CB 4.36Å; L66-A225 HydrophobicContact CD2-CB 3.93Å; I136-A225 HydrophobicContact CD1-CB 4.24Å; E221-A225 WeakPolarHBondContact O-CB 3.09Å; E221-A225 PolarHBondContact O-N 3.47Å; L222-A225 CarbonylContact O-C 3.52Å; L222-A225 WeakPolarHBondContact O-CA 3.37Å; L222-A225 WeakPolarHBondContact O-CB 3.44Å; L222-A225 PolarHBondContact O-N 3.06Å; A225-R227 PolarHBondContact O-N 3.29Å; A225-F228 PolarHBondContact O-N 3.35Å; A225-L229 WeakPolarHBondContact O-CB 3Å; A225-L229 VanDerWaalsContact O-CG 3.29Å; A225-L229 WeakPolarHBondContact O-CG 3.48Å; A225-L229 PolarHBondContact O-N 3.3Å
226	E	98.6	Very high	97.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-49.2	173.8	-72.5	175	116.7	0	0	111.3	H69 L222 Q223 F228 L229 Q230 L231 K234 I235	H69-E226 IonicContact CD2-OE1 3.53Å; H69-E226 PolarHBondContact CD2-OE1 2.99Å; L222-E226 WeakPolarHBondContact O-CG 3.5Å; L222-E226 PolarHBondContact O-N 3.39Å; Q223-E226 WeakPolarHBondContact CA-OE2 3.22Å; E226-F228 VanDerWaalsContact C-N 3.34Å; E226-F228 PolarHBondContact O-N 2.92Å; E226-L229 CarbonylContact O-C 3.55Å; E226-L229 PolarHBondContact O-N 3.06Å; E226-Q230 PolarHBondContact O-N 2.97Å; E226-L231 PolarHBondContact O-N 3.27Å; E226-K234 PolarHBondContact OE1-N 3.38Å; E226-I235 HydrophobicContact CG-CD1 4.07Å; E226-I235 HydrophobicContact CG-CG1 4.42Å; E226-I235 WeakPolarHBondContact OE1-CG1 3.36Å; E226-I235 PolarHBondContact OE1-N 2.82Å
227	R	98.5	Very high	97.5	Very high	174 Å²	174	53.2 Å²	53.2	66%	0.657	27%	0.267	S	S	*	.	H	α-helix	trans	-60.5	-42.5	176.4	-74.5	-178.6	-67.9	138.2	-7.6	112.5	Q223 A225 L229 Q230	Q223-R227 WeakPolarHBondContact O-CG 3.5Å; Q223-R227 PolarHBondContact O-N 2.91Å; Q223-R227 PolarHBondContact O-NE 3.45Å; A225-R227 PolarHBondContact O-N 3.29Å; R227-L229 VanDerWaalsContact C-N 3.29Å; R227-L229 PolarHBondContact O-N 2.73Å; R227-Q230 PolarHBondContact O-N 3.3Å
228	F	98.6	Very high	97.4	Very high	30 Å²	30	54.6 Å²	54.6	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-37.7	177	167.2	-109.4	0	0	0	112.8	K134 I136 Q205 H207 A224 A225 E226 Q230	K134-F228 HydrophobicContact CB-CE1 3.77Å; K134-F228 HydrophobicContact CB-CZ 3.86Å; K134-F228 HydrophobicContact CD-CE1 4.05Å; K134-F228 HydrophobicContact CD-CE2 3.82Å; K134-F228 HydrophobicContact CD-CZ 3.52Å; K134-F228 HydrophobicContact CG-CE1 4.4Å; K134-F228 HydrophobicContact CG-CZ 4.27Å; I136-F228 HydrophobicContact CG1-CD1 4.11Å; I136-F228 HydrophobicContact CG1-CE1 3.93Å; Q205-F228 WeakPolarHBondContact O-CZ 3.4Å; H207-F228 HydrophobicContact CB-CB 4Å; H207-F228 HydrophobicContact CB-CD1 3.4Å; H207-F228 VanDerWaalsContact CB-CD1 3.4Å; H207-F228 HydrophobicContact CB-CD2 3.63Å; H207-F228 HydrophobicContact CB-CE1 3.61Å; H207-F228 HydrophobicContact CB-CE2 3.83Å; H207-F228 HydrophobicContact CB-CG 3.39Å; H207-F228 HydrophobicContact CB-CZ 3.81Å; H207-F228 AromaticContact CG-CG 4Å; A224-F228 WeakPolarHBondContact O-CB 3.38Å; A224-F228 PolarHBondContact O-N 3.02Å; A225-F228 PolarHBondContact O-N 3.35Å; E226-F228 VanDerWaalsContact C-N 3.34Å; E226-F228 PolarHBondContact O-N 2.92Å; F228-Q230 PolarHBondContact O-N 3.4Å
229	L	98.5	Very high	97.3	Very high	17 Å²	17	56 Å²	56	9%	0.089	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	1.6	174.9	-64.9	176.3	0	0	0	113.3	C49 I72 V108 K134 I136 A225 E226 R227 L231	C49-L229 HydrophobicContact CB-CD2 3.87Å; I72-L229 HydrophobicContact CD1-CD1 4.03Å; V108-L229 HydrophobicContact CG1-CD1 4.45Å; V108-L229 HydrophobicContact CG1-CD2 4.43Å; K134-L229 HydrophobicContact CB-CD2 4.12Å; I136-L229 HydrophobicContact CD1-CD1 4.4Å; A225-L229 WeakPolarHBondContact O-CB 3Å; A225-L229 VanDerWaalsContact O-CG 3.29Å; A225-L229 WeakPolarHBondContact O-CG 3.48Å; A225-L229 PolarHBondContact O-N 3.3Å; E226-L229 CarbonylContact O-C 3.55Å; E226-L229 PolarHBondContact O-N 3.06Å; R227-L229 VanDerWaalsContact C-N 3.29Å; R227-L229 PolarHBondContact O-N 2.73Å; L229-L231 VanDerWaalsContact C-N 3.27Å; L229-L231 HydrophobicContact CB-CD1 3.93Å; L229-L231 HydrophobicContact CB-CG 4.03Å; L229-L231 HydrophobicContact CD1-CD1 4.29Å; L229-L231 PolarHBondContact O-N 3.14Å
230	Q	98.1	Very high	97.3	Very high	162 Å²	162	55.1 Å²	55.1	76%	0.757	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	39	-179.1	-55.4	175.4	-4.3	0	0	112.7	E226 R227 F228	E226-Q230 PolarHBondContact O-N 2.97Å; R227-Q230 PolarHBondContact O-N 3.3Å; F228-Q230 PolarHBondContact O-N 3.4Å
231	L	98.2	Very high	97.2	Very high	23 Å²	23	56.3 Å²	56.3	12%	0.12	28%	0.281	C	S	.	.			trans	-102.6	151.6	176.6	-63	173.1	0	0	0	110.5	K71 I72 V108 E226 L229	K71-L231 HydrophobicContact CB-CD2 4.14Å; K71-L231 HydrophobicContact CD-CD2 4.27Å; I72-L231 HydrophobicContact CD1-CD1 3.77Å; I72-L231 HydrophobicContact CG1-CD1 3.77Å; V108-L231 HydrophobicContact CG2-CD1 4.29Å; V108-L231 HydrophobicContact CG2-CD2 4.21Å; E226-L231 PolarHBondContact O-N 3.27Å; L229-L231 VanDerWaalsContact C-N 3.27Å; L229-L231 HydrophobicContact CB-CD1 3.93Å; L229-L231 HydrophobicContact CB-CG 4.03Å; L229-L231 HydrophobicContact CD1-CD1 4.29Å; L229-L231 PolarHBondContact O-N 3.14Å
232	E	97.5	Very high	97	Very high	123 Å²	123	61 Å²	61	58%	0.575	30%	0.302	S	S	*	.			trans	-60.9	143.4	167.1	-68.9	-177.8	-173.6	0	0	110	H69 K234	H69-E232 PolarHBondContact NE2-O 3.13Å; E232-K234 HydrophobicContact CB-CG 4.37Å; E232-K234 PolarHBondContact O-N 2.91Å; E232-K234 WeakPolarHBondContact OE2-CE 3.43Å; E232-K234 IonicContact OE2-NZ 2.83Å; E232-K234 PolarHBondContact OE2-NZ 2.7Å
233	P	96.9	Very high	96.7	Very high	95 Å²	95	63 Å²	63	62%	0.617	31%	0.312	S	S	*	.			trans	-70.8	98.7	176.2	29.7	-33.6	0	0	0	109.9
234	K	96.9	Very high	96.3	Very high	105 Å²	105	70.3 Å²	70.3	46%	0.457	34%	0.337	S	S	.	.			trans	-113.9	-10.9	177.1	-60.5	-64.8	-173.4	-163	0	112.8	E226 E232	E226-K234 PolarHBondContact OE1-N 3.38Å; E232-K234 HydrophobicContact CB-CG 4.37Å; E232-K234 PolarHBondContact O-N 2.91Å; E232-K234 WeakPolarHBondContact OE2-CE 3.43Å; E232-K234 IonicContact OE2-NZ 2.83Å; E232-K234 PolarHBondContact OE2-NZ 2.7Å
235	I	96.4	Very high	95.7	Very high	3 Å²	3	76.3 Å²	76.3	2%	0.015	37%	0.373	C	S	.	.			trans	-81.9	122.5	170.1	-57.2	172.9	0	0	0	108.3	L66 L68 H69 I219 L222 E226	L66-I235 HydrophobicContact CD2-CD1 4.27Å; L68-I235 HydrophobicContact CB-CG1 4.13Å; L68-I235 HydrophobicContact CD1-CG2 4.2Å; H69-I235 HydrophobicContact CB-CD1 4.12Å; H69-I235 HydrophobicContact CB-CG1 4.04Å; I219-I235 HydrophobicContact CD1-CG2 4.1Å; I219-I235 WeakPolarHBondContact CD1-O 3.48Å; L222-I235 HydrophobicContact CB-CD1 4.35Å; L222-I235 HydrophobicContact CB-CG2 4.21Å; L222-I235 HydrophobicContact CD1-CG2 4.03Å; E226-I235 HydrophobicContact CG-CD1 4.07Å; E226-I235 HydrophobicContact CG-CG1 4.42Å; E226-I235 WeakPolarHBondContact OE1-CG1 3.36Å; E226-I235 PolarHBondContact OE1-N 2.82Å
236	S	95.4	Very high	95.1	Very high	39 Å²	39	79.5 Å²	79.5	27%	0.273	39%	0.386	S	S	.	.			trans	-123.5	156.9	-176.3	61.7	0	0	0	0	111.9	D238 Q239	S236-D238 VanDerWaalsContact C-N 3.27Å; S236-D238 WeakPolarHBondContact CB-OD1 3.43Å; S236-D238 PolarHBondContact O-N 2.9Å; S236-D238 PolarHBondContact OG-OD1 3.38Å; S236-Q239 WeakPolarHBondContact O-CB 3.4Å; S236-Q239 PolarHBondContact O-N 3.4Å
237	A	95	Very high	94.5	Very high	60 Å²	60	81.2 Å²	81.2	50%	0.496	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-66.1	-29.2	-173.7	0	0	0	0	0	113	I219 Q239 L240	I219-A237 HydrophobicContact CG1-CB 4.24Å; A237-Q239 PolarHBondContact O-N 3.39Å; A237-L240 PolarHBondContact O-N 2.97Å; A237-L240 VanDerWaalsContact O-O 3.07Å
238	D	94.1	Very high	94.1	Very high	131 Å²	131	73.8 Å²	73.8	70%	0.701	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-66.6	-20.5	177	58.4	-66.4	0	0	0	113.3	S236 L240	S236-D238 VanDerWaalsContact C-N 3.27Å; S236-D238 WeakPolarHBondContact CB-OD1 3.43Å; S236-D238 PolarHBondContact O-N 2.9Å; S236-D238 PolarHBondContact OG-OD1 3.38Å; D238-L240 PolarHBondContact O-N 3.32Å
239	Q	95.1	Very high	93.9	Very high	32 Å²	32	75.3 Å²	75.3	15%	0.15	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-76	-11.7	172.1	-59.9	176.5	-59.8	0	0	112.6	L68 S236 A237 Y251 H252	L68-Q239 HydrophobicContact CD1-CB 4.07Å; L68-Q239 HydrophobicContact CD2-CB 4.47Å; S236-Q239 WeakPolarHBondContact O-CB 3.4Å; S236-Q239 PolarHBondContact O-N 3.4Å; A237-Q239 PolarHBondContact O-N 3.39Å; Q239-Y251 CarbonylContact O-C 3.5Å; Q239-Y251 WeakPolarHBondContact O-CA 3.34Å; Q239-Y251 WeakPolarHBondContact O-CB 3.1Å; Q239-H252 PolarHBondContact O-N 3.46Å
240	L	96.5	Very high	93.8	Very high	16 Å²	16	74.5 Å²	74.5	8%	0.084	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.8	-174.8	-53.6	179	0	0	0	110.4	F65 L68 P218 I219 L222 A237 D238 Y249 C250	F65-L240 HydrophobicContact CD1-CD2 3.93Å; F65-L240 HydrophobicContact CE1-CD2 4.11Å; L68-L240 HydrophobicContact CD1-CD2 3.72Å; P218-L240 HydrophobicContact CB-CD1 3.96Å; P218-L240 HydrophobicContact CG-CD1 3.69Å; I219-L240 HydrophobicContact CB-CD1 4.45Å; L222-L240 HydrophobicContact CD1-CD1 3.82Å; A237-L240 PolarHBondContact O-N 2.97Å; A237-L240 VanDerWaalsContact O-O 3.07Å; D238-L240 PolarHBondContact O-N 3.32Å; L240-Y249 HydrophobicContact CB-CD1 3.98Å; L240-C250 WeakPolarHBondContact CA-O 3.3Å
241	Y	95.2	Very high	93.6	Very high	82 Å²	82	67.1 Å²	67.1	32%	0.322	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139	175.7	67.3	-87.1	0	0	0	111.3	Y249 C250 N258	Y241-Y249 CarbonylContact O-C 3.52Å; Y241-Y249 WeakPolarHBondContact O-CA 3.38Å; Y241-C250 HydrophobicContact CD1-CB 4.24Å; Y241-C250 HydrophobicContact CD2-CB 4.14Å; Y241-C250 HydrophobicContact CE1-CB 3.65Å; Y241-C250 HydrophobicContact CE2-CB 3.55Å; Y241-C250 HydrophobicContact CG-CB 4.45Å; Y241-C250 PolarHBondContact N-O 3.42Å; Y241-C250 PolarHBondContact O-N 2.88Å; Y241-C250 WeakPolarHBondContact OH-CB 3.45Å; Y241-N258 HydrophobicContact CE1-CB 4.43Å
242	F	94.2	Very high	93.4	Very high	99 Å²	99	70.5 Å²	70.5	43%	0.434	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.7	-179.4	-171.4	-96.6	0	0	0	111.1	R244 Y249	F242-R244 HydrophobicContact CD1-CG 4.16Å; F242-R244 HydrophobicContact CE1-CG 4.31Å; F242-Y249 HydrophobicContact CB-CD1 4.28Å; F242-Y249 HydrophobicContact CB-CE1 4.09Å; F242-Y249 HydrophobicContact CB-CE2 4.49Å; F242-Y249 AromaticContact CD2-CD2 3.71Å; F242-Y249 HydrophobicContact CD2-CD2 3.71Å; F242-Y249 AromaticContact CD2-CE2 3.65Å; F242-Y249 HydrophobicContact CD2-CE2 3.65Å; F242-Y249 HydrophobicContact CD2-CG 4.24Å; F242-Y249 HydrophobicContact CE2-CD2 4.44Å; F242-Y249 HydrophobicContact CE2-CE2 4.42Å
243	N	91.9	Very high	93	Very high	42 Å²	42	65.9 Å²	65.9	23%	0.225	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107.2	175.5	-177.1	-43.7	0	0	0	110.1	T245 K246 G247 F248 C250	N243-T245 VanDerWaalsContact C-N 3.3Å; N243-T245 PolarHBondContact O-N 3.48Å; N243-T245 WeakPolarHBondContact OD1-CB 3.42Å; N243-T245 PolarHBondContact OD1-N 3.17Å; N243-K246 HydrophobicContact CB-CB 4.06Å; N243-K246 HydrophobicContact CB-CG 4.3Å; N243-K246 PolarHBondContact O-N 2.91Å; N243-K246 VanDerWaalsContact O-N 3.16Å; N243-K246 PolarHBondContact OD1-N 2.94Å; N243-G247 PolarHBondContact O-N 3.4Å; N243-F248 PolarHBondContact N-O 3.13Å; N243-C250 WeakPolarHBondContact CB-SG 3.5Å
244	R	89.3	Confident	92.3	Very high	231 Å²	231	66.1 Å²	66.1	87%	0.872	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-37.7	-178.1	-66.6	-176.6	-179.6	-116.2	1.4	113.1	F242 K246 G247	F242-R244 HydrophobicContact CD1-CG 4.16Å; F242-R244 HydrophobicContact CE1-CG 4.31Å; R244-K246 VanDerWaalsContact C-N 3.34Å; R244-G247 PolarHBondContact O-N 3.28Å
245	T	86.8	Confident	91.7	Very high	138 Å²	138	65.8 Å²	65.8	85%	0.847	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-36.6	178.6	-50.2	0	0	0	0	111.9	N243	N243-T245 VanDerWaalsContact C-N 3.3Å; N243-T245 PolarHBondContact O-N 3.48Å; N243-T245 WeakPolarHBondContact OD1-CB 3.42Å; N243-T245 PolarHBondContact OD1-N 3.17Å
246	K	85.2	Confident	91.1	Very high	66 Å²	66	72.2 Å²	72.2	29%	0.287	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-26.2	178.2	-68.5	-65.5	-171.7	179.6	0	112.9	N243 R244 F248 N263	N243-K246 HydrophobicContact CB-CB 4.06Å; N243-K246 HydrophobicContact CB-CG 4.3Å; N243-K246 PolarHBondContact O-N 2.91Å; N243-K246 VanDerWaalsContact O-N 3.16Å; N243-K246 PolarHBondContact OD1-N 2.94Å; R244-K246 VanDerWaalsContact C-N 3.34Å; K246-F248 VanDerWaalsContact C-N 3.33Å; K246-F248 HydrophobicContact CB-CD1 4.07Å; K246-F248 HydrophobicContact CB-CD2 4.22Å; K246-F248 HydrophobicContact CB-CE1 3.72Å; K246-F248 HydrophobicContact CB-CE2 3.87Å; K246-F248 HydrophobicContact CB-CG 4.32Å; K246-F248 HydrophobicContact CB-CZ 3.64Å; K246-F248 HydrophobicContact CD-CE1 4.43Å; K246-F248 HydrophobicContact CD-CZ 3.99Å; K246-F248 HydrophobicContact CG-CE2 4.33Å; K246-F248 HydrophobicContact CG-CZ 4.05Å; K246-F248 WeakPolarHBondContact O-CD1 3.1Å; K246-F248 VanDerWaalsContact O-CE1 3.25Å; K246-F248 WeakPolarHBondContact O-CE1 3.35Å; K246-N263 PolarHBondContact NZ-OD1 3.48Å
247	G	86.9	Confident	90.9	Very high	38 Å²	38	71.5 Å²	71.5	39%	0.392	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	19.7	-176.3	0	0	0	0	0	114	N243 R244	N243-G247 PolarHBondContact O-N 3.4Å; R244-G247 PolarHBondContact O-N 3.28Å
248	F	90.1	Very high	90.8	Very high	17 Å²	17	74 Å²	74	8%	0.075	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	168	178.3	54.5	-102.8	0	0	0	111.4	N243 K246 C260 L261 K265	N243-F248 PolarHBondContact N-O 3.13Å; K246-F248 VanDerWaalsContact C-N 3.33Å; K246-F248 HydrophobicContact CB-CD1 4.07Å; K246-F248 HydrophobicContact CB-CD2 4.22Å; K246-F248 HydrophobicContact CB-CE1 3.72Å; K246-F248 HydrophobicContact CB-CE2 3.87Å; K246-F248 HydrophobicContact CB-CG 4.32Å; K246-F248 HydrophobicContact CB-CZ 3.64Å; K246-F248 HydrophobicContact CD-CE1 4.43Å; K246-F248 HydrophobicContact CD-CZ 3.99Å; K246-F248 HydrophobicContact CG-CE2 4.33Å; K246-F248 HydrophobicContact CG-CZ 4.05Å; K246-F248 WeakPolarHBondContact O-CD1 3.1Å; K246-F248 VanDerWaalsContact O-CE1 3.25Å; K246-F248 WeakPolarHBondContact O-CE1 3.35Å; F248-C260 VanDerWaalsContact CE2-SG 3.59Å; F248-L261 HydrophobicContact CD2-CD1 3.81Å; F248-L261 HydrophobicContact CD2-CG 4.45Å; F248-L261 HydrophobicContact CE2-CB 3.62Å; F248-L261 HydrophobicContact CE2-CD1 3.66Å; F248-L261 HydrophobicContact CE2-CG 3.96Å; F248-L261 HydrophobicContact CG-CD1 4.49Å; F248-L261 HydrophobicContact CZ-CB 3.91Å; F248-L261 HydrophobicContact CZ-CD1 4.2Å; F248-K265 HydrophobicContact CE1-CB 4.46Å; F248-K265 HydrophobicContact CZ-CB 4.23Å
249	Y	94.3	Very high	90.7	Very high	63 Å²	63	69.1 Å²	69.1	25%	0.247	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.5	179.2	-75.2	-98.8	0	0	0	113.2	F65 I215 S216 P218 L240 Y241 F242	F65-Y249 WeakPolarHBondContact CZ-O 3.22Å; I215-Y249 WeakPolarHBondContact O-CD2 3.37Å; S216-Y249 WeakPolarHBondContact O-CE2 3.49Å; P218-Y249 VanDerWaalsContact CD-CE2 3.47Å; P218-Y249 HydrophobicContact CG-CD1 3.91Å; P218-Y249 HydrophobicContact CG-CD2 3.6Å; P218-Y249 HydrophobicContact CG-CE1 4.23Å; P218-Y249 HydrophobicContact CG-CE2 3.97Å; P218-Y249 HydrophobicContact CG-CG 3.59Å; L240-Y249 HydrophobicContact CB-CD1 3.98Å; Y241-Y249 CarbonylContact O-C 3.52Å; Y241-Y249 WeakPolarHBondContact O-CA 3.38Å; F242-Y249 HydrophobicContact CB-CD1 4.28Å; F242-Y249 HydrophobicContact CB-CE1 4.09Å; F242-Y249 HydrophobicContact CB-CE2 4.49Å; F242-Y249 AromaticContact CD2-CD2 3.71Å; F242-Y249 HydrophobicContact CD2-CD2 3.71Å; F242-Y249 AromaticContact CD2-CE2 3.65Å; F242-Y249 HydrophobicContact CD2-CE2 3.65Å; F242-Y249 HydrophobicContact CD2-CG 4.24Å; F242-Y249 HydrophobicContact CE2-CD2 4.44Å; F242-Y249 HydrophobicContact CE2-CE2 4.42Å
250	C	95.6	Very high	90.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-179.2	163.2	-52.7	0	0	0	0	108.3	L240 Y241 N243 I259 C260	L240-C250 WeakPolarHBondContact CA-O 3.3Å; Y241-C250 HydrophobicContact CD1-CB 4.24Å; Y241-C250 HydrophobicContact CD2-CB 4.14Å; Y241-C250 HydrophobicContact CE1-CB 3.65Å; Y241-C250 HydrophobicContact CE2-CB 3.55Å; Y241-C250 HydrophobicContact CG-CB 4.45Å; Y241-C250 PolarHBondContact N-O 3.42Å; Y241-C250 PolarHBondContact O-N 2.88Å; Y241-C250 WeakPolarHBondContact OH-CB 3.45Å; N243-C250 WeakPolarHBondContact CB-SG 3.5Å; C250-I259 WeakPolarHBondContact CB-O 3.47Å; C250-C260 HydrophobicContact CB-CB 3.71Å; C250-C260 WeakPolarHBondContact CB-SG 3.36Å; C250-C260 WeakPolarHBondContact SG-CB 3.41Å; C250-C260 CovalentContact SG-SG 2.03Å; C250-C260 PolarHBondContact SG-SG 3.08Å
251	Y	94.9	Very high	90.4	Very high	7 Å²	7	69.5 Å²	69.5	3%	0.027	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.5	-179.2	62.9	-83.2	0	0	0	113.5	Q64 F65 L68 Q239 H253 I259	Q64-Y251 HydrophobicContact CB-CE1 3.85Å; F65-Y251 AromaticContact CD1-CD1 3.65Å; F65-Y251 HydrophobicContact CD1-CD1 3.65Å; F65-Y251 HydrophobicContact CD1-CE1 4.28Å; F65-Y251 HydrophobicContact CD1-CG 4.19Å; F65-Y251 AromaticContact CE1-CD1 3.7Å; F65-Y251 HydrophobicContact CE1-CD1 3.7Å; F65-Y251 HydrophobicContact CE1-CE1 4.48Å; F65-Y251 HydrophobicContact CE1-CG 4.42Å; L68-Y251 HydrophobicContact CD1-CD2 4.37Å; L68-Y251 HydrophobicContact CD1-CG 4.38Å; L68-Y251 HydrophobicContact CD2-CD2 3.56Å; L68-Y251 HydrophobicContact CD2-CE2 4.25Å; L68-Y251 HydrophobicContact CD2-CG 4.32Å; L68-Y251 HydrophobicContact CG-CD2 4.02Å; L68-Y251 HydrophobicContact CG-CG 4.49Å; Q239-Y251 CarbonylContact O-C 3.5Å; Q239-Y251 WeakPolarHBondContact O-CA 3.34Å; Q239-Y251 WeakPolarHBondContact O-CB 3.1Å; Y251-H253 HydrophobicContact CD2-CB 4.19Å; Y251-H253 HydrophobicContact CE2-CB 3.96Å; Y251-I259 HydrophobicContact CD1-CB 4.47Å; Y251-I259 HydrophobicContact CD2-CB 4.36Å; Y251-I259 HydrophobicContact CE1-CB 3.98Å; Y251-I259 HydrophobicContact CE1-CG2 3.83Å; Y251-I259 HydrophobicContact CE2-CB 3.87Å; Y251-I259 HydrophobicContact CE2-CD1 3.85Å; Y251-I259 HydrophobicContact CE2-CG1 4.3Å; Y251-I259 HydrophobicContact CE2-CG2 4.32Å; Y251-I259 PolarHBondContact N-O 2.77Å; Y251-I259 PolarHBondContact O-N 2.67Å; Y251-I259 WeakPolarHBondContact OH-CG2 3.45Å
252	H	93.5	Very high	90	Very high	93 Å²	93	67.7 Å²	67.7	43%	0.431	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	108	172.1	-177.8	-90.4	0	0	0	109.9	L68 Q239 N258	L68-H252 WeakPolarHBondContact CD2-O 3.46Å; Q239-H252 PolarHBondContact O-N 3.46Å; H252-N258 PolarHBondContact CD2-OD1 3.28Å
253	H	88.1	Confident	89.5	Confident	27 Å²	27	69.2 Å²	69.2	13%	0.125	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.2	177.1	-169.2	-88.7	0	0	0	110.8	Y251 S255 Q256 G257 I259	Y251-H253 HydrophobicContact CD2-CB 4.19Å; Y251-H253 HydrophobicContact CE2-CB 3.96Å; H253-S255 VanDerWaalsContact C-N 3.25Å; H253-S255 PolarHBondContact CE1-OG 3.35Å; H253-S255 PolarHBondContact ND1-N 3.29Å; H253-S255 PolarHBondContact ND1-OG 2.9Å; H253-S255 VanDerWaalsContact ND1-OG 3.08Å; H253-S255 PolarHBondContact O-N 2.71Å; H253-S255 VanDerWaalsContact O-N 3.07Å; H253-Q256 HydrophobicContact CB-CB 3.98Å; H253-Q256 PolarHBondContact ND1-N 3.4Å; H253-Q256 PolarHBondContact O-N 2.95Å; H253-G257 PolarHBondContact N-O 3.33Å; H253-G257 WeakPolarHBondContact O-CA 3.39Å; H253-G257 PolarHBondContact O-N 3.48Å; H253-I259 HydrophobicContact CB-CD1 3.65Å; H253-I259 HydrophobicContact CB-CG1 4.2Å
254	P	82.4	Confident	89	Confident	100 Å²	100	70 Å²	70	65%	0.649	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.2	-174.9	-28.7	34.7	0	0	0	115.2
255	S	83.9	Confident	88.8	Confident	98 Å²	98	62.5 Å²	62.5	69%	0.685	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-12	-178.3	64.2	0	0	0	0	115.5	H253	H253-S255 VanDerWaalsContact C-N 3.25Å; H253-S255 PolarHBondContact CE1-OG 3.35Å; H253-S255 PolarHBondContact ND1-N 3.29Å; H253-S255 PolarHBondContact ND1-OG 2.9Å; H253-S255 VanDerWaalsContact ND1-OG 3.08Å; H253-S255 PolarHBondContact O-N 2.71Å; H253-S255 VanDerWaalsContact O-N 3.07Å
256	Q	85.4	Confident	88.5	Confident	137 Å²	137	58.7 Å²	58.7	64%	0.64	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-3.3	-172.5	-70.3	179	19.3	0	0	112.2	H253 I259	H253-Q256 HydrophobicContact CB-CB 3.98Å; H253-Q256 PolarHBondContact ND1-N 3.4Å; H253-Q256 PolarHBondContact O-N 2.95Å; Q256-I259 HydrophobicContact CB-CD1 3.72Å; Q256-I259 HydrophobicContact CB-CG1 4.29Å; Q256-I259 HydrophobicContact CG-CD1 4.49Å
257	G	90.3	Very high	88.5	Confident	24 Å²	24	59.5 Å²	59.5	25%	0.247	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.6	-145.5	-177.7	0	0	0	0	0	112.5	H253 I259	H253-G257 PolarHBondContact N-O 3.33Å; H253-G257 WeakPolarHBondContact O-CA 3.39Å; H253-G257 PolarHBondContact O-N 3.48Å; G257-I259 PolarHBondContact O-N 2.98Å
258	N	92.4	Very high	88.4	Confident	114 Å²	114	64.8 Å²	64.8	61%	0.61	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	115.8	-174.8	-72.7	-28.6	0	0	0	112.2	Y241 H252	Y241-N258 HydrophobicContact CE1-CB 4.43Å; H252-N258 PolarHBondContact CD2-OD1 3.28Å
259	I	93.3	Very high	88.5	Confident	27 Å²	27	66.6 Å²	66.6	14%	0.138	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140	178.3	-56.6	179.8	0	0	0	110.2	C250 Y251 H253 Q256 G257	C250-I259 WeakPolarHBondContact CB-O 3.47Å; Y251-I259 HydrophobicContact CD1-CB 4.47Å; Y251-I259 HydrophobicContact CD2-CB 4.36Å; Y251-I259 HydrophobicContact CE1-CB 3.98Å; Y251-I259 HydrophobicContact CE1-CG2 3.83Å; Y251-I259 HydrophobicContact CE2-CB 3.87Å; Y251-I259 HydrophobicContact CE2-CD1 3.85Å; Y251-I259 HydrophobicContact CE2-CG1 4.3Å; Y251-I259 HydrophobicContact CE2-CG2 4.32Å; Y251-I259 PolarHBondContact N-O 2.77Å; Y251-I259 PolarHBondContact O-N 2.67Å; Y251-I259 WeakPolarHBondContact OH-CG2 3.45Å; H253-I259 HydrophobicContact CB-CD1 3.65Å; H253-I259 HydrophobicContact CB-CG1 4.2Å; Q256-I259 HydrophobicContact CB-CD1 3.72Å; Q256-I259 HydrophobicContact CB-CG1 4.29Å; Q256-I259 HydrophobicContact CG-CD1 4.49Å; G257-I259 PolarHBondContact O-N 2.98Å
260	C	93	Very high	88.5	Confident	36 Å²	36	65.2 Å²	65.2	24%	0.243	38%	0.375	C	S	.	.			trans	-128.5	167.1	168.7	-148.3	0	0	0	0	112.9	F248 C250	F248-C260 VanDerWaalsContact CE2-SG 3.59Å; C250-C260 HydrophobicContact CB-CB 3.71Å; C250-C260 WeakPolarHBondContact CB-SG 3.36Å; C250-C260 WeakPolarHBondContact SG-CB 3.41Å; C250-C260 CovalentContact SG-SG 2.03Å; C250-C260 PolarHBondContact SG-SG 3.08Å
261	L	91.3	Very high	88.4	Confident	20 Å²	20	74.3 Å²	74.3	11%	0.105	42%	0.415	C	S	.	.			trans	-62.2	143.1	172.9	-64	168.6	0	0	0	110.6	R60 A61 F248 K265	R60-L261 HydrophobicContact CG-CD2 3.87Å; A61-L261 HydrophobicContact CB-CD1 3.88Å; A61-L261 HydrophobicContact CB-CD2 4.15Å; F248-L261 HydrophobicContact CD2-CD1 3.81Å; F248-L261 HydrophobicContact CD2-CG 4.45Å; F248-L261 HydrophobicContact CE2-CB 3.62Å; F248-L261 HydrophobicContact CE2-CD1 3.66Å; F248-L261 HydrophobicContact CE2-CG 3.96Å; F248-L261 HydrophobicContact CG-CD1 4.49Å; F248-L261 HydrophobicContact CZ-CB 3.91Å; F248-L261 HydrophobicContact CZ-CD1 4.2Å; L261-K265 HydrophobicContact CB-CB 3.86Å; L261-K265 HydrophobicContact CB-CG 3.82Å; L261-K265 HydrophobicContact CD1-CB 4.34Å
262	G	87.4	Confident	88.5	Confident	44 Å²	44	75.3 Å²	75.3	45%	0.454	42%	0.421	S	S	.	.			trans	-59.8	161.9	-178.4	0	0	0	0	0	114.3	T264 K265	G262-T264 PolarHBondContact O-N 2.95Å; G262-K265 WeakPolarHBondContact O-CB 3.35Å; G262-K265 WeakPolarHBondContact O-CG 3.39Å; G262-K265 PolarHBondContact O-N 3.49Å
263	N	83.4	Confident	88.7	Confident	131 Å²	131	73.6 Å²	73.6	70%	0.701	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-14.5	-171.6	-66.7	-26	0	0	0	115.8	K246 K265	K246-N263 PolarHBondContact NZ-OD1 3.48Å; N263-K265 VanDerWaalsContact C-N 3.29Å
264	T	81.7	Confident	89.1	Confident	60 Å²	60	77.2 Å²	77.2	37%	0.368	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.9	177	70	0	0	0	0	113.7	G262 R267	G262-T264 PolarHBondContact O-N 2.95Å; T264-R267 VanDerWaalsContact CA-CZ 3.41Å; T264-R267 PolarHBondContact O-NH1 2.67Å
265	K	85.2	Confident	89.8	Confident	73 Å²	73	75.7 Å²	75.7	32%	0.317	44%	0.439	S	S	.	.	S	Bend	trans	-98.5	143.2	179.8	-50.1	-49.5	-178.3	-176.4	0	110.3	F248 L261 G262 N263 R267	F248-K265 HydrophobicContact CE1-CB 4.46Å; F248-K265 HydrophobicContact CZ-CB 4.23Å; L261-K265 HydrophobicContact CB-CB 3.86Å; L261-K265 HydrophobicContact CB-CG 3.82Å; L261-K265 HydrophobicContact CD1-CB 4.34Å; G262-K265 WeakPolarHBondContact O-CB 3.35Å; G262-K265 WeakPolarHBondContact O-CG 3.39Å; G262-K265 PolarHBondContact O-N 3.49Å; N263-K265 VanDerWaalsContact C-N 3.29Å; K265-R267 VanDerWaalsContact C-N 3.28Å; K265-R267 PolarHBondContact O-N 3.26Å
266	G	81.2	Confident	90.5	Very high	57 Å²	57	71.2 Å²	71.2	59%	0.588	41%	0.407	S	S	*	.	S	Bend	trans	69.5	17.4	-175.1	0	0	0	0	0	115.6
267	R	83.6	Confident	91.1	Very high	83 Å²	83	71.2 Å²	71.2	31%	0.313	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-57.2	143.3	172.6	-65.4	-169.8	-172.6	120.2	-16.9	110.8	T264 K265 H269	T264-R267 VanDerWaalsContact CA-CZ 3.41Å; T264-R267 PolarHBondContact O-NH1 2.67Å; K265-R267 VanDerWaalsContact C-N 3.28Å; K265-R267 PolarHBondContact O-N 3.26Å; R267-H269 PolarHBondContact O-CD2 3.44Å; R267-H269 PolarHBondContact O-N 2.92Å
268	L	86.3	Confident	91.4	Very high	150 Å²	150	72.6 Å²	72.6	79%	0.785	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-56.4	129.4	173.3	-171	65	0	0	0	109.8
269	H	91	Very high	91.7	Very high	54 Å²	54	71.3 Å²	71.3	25%	0.25	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-74.5	152.2	176.5	-68.7	175.7	0	0	0	110.4	V147 S148 R267 K271	V147-H269 HydrophobicContact CG1-CB 3.89Å; S148-H269 WeakPolarHBondContact CB-NE2 3.48Å; S148-H269 PolarHBondContact OG-NE2 2.74Å; R267-H269 PolarHBondContact O-CD2 3.44Å; R267-H269 PolarHBondContact O-N 2.92Å; H269-K271 PolarHBondContact O-N 3.44Å
270	V	94	Very high	91.9	Very high	34 Å²	34	70 Å²	70	21%	0.206	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-56.2	137.1	166	-62.1	0	0	0	0	109.8	V147 Y150 T151 M154 F167 I272	V147-V270 HydrophobicContact CG1-CG2 3.77Å; V147-V270 WeakPolarHBondContact CG1-O 3.22Å; Y150-V270 HydrophobicContact CD1-CG1 4.24Å; Y150-V270 HydrophobicContact CD1-CG2 3.64Å; Y150-V270 HydrophobicContact CE1-CB 4.36Å; Y150-V270 HydrophobicContact CE1-CG1 3.88Å; Y150-V270 HydrophobicContact CE1-CG2 3.78Å; T151-V270 HydrophobicContact CG2-CG1 4.47Å; T151-V270 PolarHBondContact OG1-N 2.78Å; M154-V270 HydrophobicContact CE-CG1 3.64Å; F167-V270 HydrophobicContact CB-CG2 4.27Å; F167-V270 HydrophobicContact CD2-CG2 4.34Å; F167-V270 HydrophobicContact CG-CG2 4.44Å; V270-I272 HydrophobicContact CG2-CG2 4.42Å
271	K	94.8	Very high	92.2	Very high	192 Å²	192	72.4 Å²	72.4	84%	0.835	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-73.1	135.6	175.4	-64.8	-175.8	-179.7	-179.7	0	108.4	H269	H269-K271 PolarHBondContact O-N 3.44Å
272	I	96.4	Very high	92.5	Very high	28 Å²	28	76.8 Å²	76.8	14%	0.144	42%	0.424	C	S	.	.			trans	-123.5	149.7	176.3	63	163.4	0	0	0	108.7	V143 V147 F167 V270 T276 R277	V143-I272 HydrophobicContact CG1-CD1 4.42Å; V147-I272 HydrophobicContact CG1-CG2 4.41Å; V147-I272 HydrophobicContact CG2-CD1 3.77Å; V147-I272 HydrophobicContact CG2-CG1 4.44Å; V147-I272 HydrophobicContact CG2-CG2 4.16Å; F167-I272 HydrophobicContact CB-CG2 4.37Å; F167-I272 HydrophobicContact CD1-CB 4.28Å; F167-I272 HydrophobicContact CD1-CG2 3.32Å; F167-I272 HydrophobicContact CE1-CB 4.41Å; F167-I272 HydrophobicContact CE1-CD1 4.43Å; F167-I272 HydrophobicContact CE1-CG2 3.62Å; F167-I272 HydrophobicContact CG-CG2 3.81Å; F167-I272 HydrophobicContact CZ-CG2 4.34Å; V270-I272 HydrophobicContact CG2-CG2 4.42Å; I272-T276 HydrophobicContact CB-CG2 4.06Å; I272-T276 HydrophobicContact CD1-CG2 4.16Å; I272-R277 HydrophobicContact CD1-CB 3.98Å; I272-R277 HydrophobicContact CD1-CG 4.48Å
273	S	96.6	Very high	93	Very high	57 Å²	57	76.8 Å²	76.8	40%	0.399	41%	0.412	S	S	.	.			trans	-65.4	157.2	179.2	80.2	0	0	0	0	112.3	E168 S275 T276 R277	E168-S273 PolarHBondContact OE1-N 3.23Å; S273-S275 VanDerWaalsContact C-N 3.28Å; S273-S275 PolarHBondContact O-N 3.43Å; S273-T276 WeakPolarHBondContact O-CB 3.38Å; S273-T276 PolarHBondContact O-N 3.06Å; S273-T276 WeakPolarHBondContact OG-CB 3.44Å; S273-T276 PolarHBondContact OG-N 2.96Å; S273-T276 PolarHBondContact OG-OG1 2.9Å; S273-R277 PolarHBondContact O-N 3.29Å
274	S	97.2	Very high	93.8	Very high	103 Å²	103	70.6 Å²	70.6	72%	0.72	38%	0.379	S	S	*	.	H	α-helix	trans	-58.6	-41.3	172.8	50.6	0	0	0	0	111.6	R277 A278	S274-R277 WeakPolarHBondContact O-CB 3.44Å; S274-R277 PolarHBondContact O-N 3.23Å; S274-A278 WeakPolarHBondContact O-CB 3.42Å; S274-A278 PolarHBondContact O-N 3.06Å
275	S	97.3	Very high	94.6	Very high	68 Å²	68	72.9 Å²	72.9	48%	0.476	39%	0.385	S	S	.	.	H	α-helix	trans	-61	-45.8	174.3	176.4	0	0	0	0	112.3	S273 R277 A278 R279	S273-S275 VanDerWaalsContact C-N 3.28Å; S273-S275 PolarHBondContact O-N 3.43Å; S275-R277 VanDerWaalsContact C-N 3.32Å; S275-R277 PolarHBondContact O-N 2.79Å; S275-A278 PolarHBondContact O-N 3.42Å; S275-R279 WeakPolarHBondContact O-CB 3.39Å; S275-R279 WeakPolarHBondContact O-CG 3.41Å; S275-R279 PolarHBondContact O-N 2.96Å
276	T	98.1	Very high	95.2	Very high	3 Å²	3	76.6 Å²	76.6	2%	0.018	40%	0.401	C	S	.	.	H	α-helix	trans	-56.7	-46.9	174.3	-61.5	0	0	0	0	111	F167 E168 F172 I272 S273 R279 L280	F167-T276 HydrophobicContact CD1-CG2 4Å; F167-T276 HydrophobicContact CE1-CG2 3.68Å; E168-T276 HydrophobicContact CG-CG2 4.1Å; E168-T276 WeakPolarHBondContact CG-OG1 3.38Å; E168-T276 PolarHBondContact OE1-OG1 3.11Å; F172-T276 HydrophobicContact CE2-CG2 3.77Å; F172-T276 HydrophobicContact CZ-CG2 4.09Å; I272-T276 HydrophobicContact CB-CG2 4.06Å; I272-T276 HydrophobicContact CD1-CG2 4.16Å; S273-T276 WeakPolarHBondContact O-CB 3.38Å; S273-T276 PolarHBondContact O-N 3.06Å; S273-T276 WeakPolarHBondContact OG-CB 3.44Å; S273-T276 PolarHBondContact OG-N 2.96Å; S273-T276 PolarHBondContact OG-OG1 2.9Å; T276-R279 PolarHBondContact O-N 3.46Å; T276-L280 HydrophobicContact CG2-CD1 4.2Å; T276-L280 WeakPolarHBondContact O-CG 3.45Å; T276-L280 PolarHBondContact O-N 3.39Å; T276-L280 VanDerWaalsContact O-N 3.08Å
277	R	98	Very high	96	Very high	138 Å²	138	77.3 Å²	77.3	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-47.1	178.8	-172.3	-174.4	-59.9	-157.9	1.9	111.5	V143 I272 S273 S274 S275 L280 K281	V143-R277 HydrophobicContact CG1-CG 4.24Å; I272-R277 HydrophobicContact CD1-CB 3.98Å; I272-R277 HydrophobicContact CD1-CG 4.48Å; S273-R277 PolarHBondContact O-N 3.29Å; S274-R277 WeakPolarHBondContact O-CB 3.44Å; S274-R277 PolarHBondContact O-N 3.23Å; S275-R277 VanDerWaalsContact C-N 3.32Å; S275-R277 PolarHBondContact O-N 2.79Å; R277-L280 PolarHBondContact O-N 3.17Å; R277-K281 WeakPolarHBondContact O-CG 3.38Å; R277-K281 PolarHBondContact O-N 3.38Å
278	A	97.8	Very high	96.7	Very high	52 Å²	52	73.8 Å²	73.8	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-47	179.2	0	0	0	0	0	111.4	S274 S275 L280 K281 T282	S274-A278 WeakPolarHBondContact O-CB 3.42Å; S274-A278 PolarHBondContact O-N 3.06Å; S275-A278 PolarHBondContact O-N 3.42Å; A278-L280 PolarHBondContact O-N 3.23Å; A278-K281 WeakPolarHBondContact O-CB 3.48Å; A278-K281 PolarHBondContact O-N 3.31Å; A278-K281 VanDerWaalsContact O-N 3.17Å; A278-T282 PolarHBondContact O-N 3.39Å; A278-T282 PolarHBondContact O-OG1 2.99Å; A278-T282 VanDerWaalsContact O-OG1 3.13Å
279	R	98	Very high	97.3	Very high	88 Å²	88	71.2 Å²	71.2	33%	0.332	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-42.2	177.9	-72.8	166.4	63.2	-161.6	-0.4	112.7	F172 G176 S275 T276 T282 F283	F172-R279 HydrophobicContact CE1-CB 4.01Å; F172-R279 HydrophobicContact CZ-CB 3.89Å; G176-R279 PolarHBondContact O-NH2 3.26Å; S275-R279 WeakPolarHBondContact O-CB 3.39Å; S275-R279 WeakPolarHBondContact O-CG 3.41Å; S275-R279 PolarHBondContact O-N 2.96Å; T276-R279 PolarHBondContact O-N 3.46Å; R279-T282 PolarHBondContact O-N 3.36Å; R279-F283 WeakPolarHBondContact O-CB 3.21Å; R279-F283 PolarHBondContact O-N 2.95Å
280	L	98.5	Very high	97.6	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-66.4	-40.4	175.4	-70.7	174.4	0	0	0	112	V143 F167 F172 V178 I185 T276 R277 A278 F283 F284	V143-L280 HydrophobicContact CG1-CB 4.11Å; V143-L280 HydrophobicContact CG1-CD1 4.12Å; V143-L280 HydrophobicContact CG2-CB 3.9Å; F167-L280 HydrophobicContact CE1-CD1 3.8Å; F167-L280 HydrophobicContact CZ-CD1 3.8Å; F172-L280 HydrophobicContact CZ-CG 4.4Å; V178-L280 HydrophobicContact CG1-CD2 4.32Å; V178-L280 HydrophobicContact CG2-CD2 4.09Å; I185-L280 HydrophobicContact CD1-CD2 3.67Å; T276-L280 HydrophobicContact CG2-CD1 4.2Å; T276-L280 WeakPolarHBondContact O-CG 3.45Å; T276-L280 PolarHBondContact O-N 3.39Å; T276-L280 VanDerWaalsContact O-N 3.08Å; R277-L280 PolarHBondContact O-N 3.17Å; A278-L280 PolarHBondContact O-N 3.23Å; L280-F283 PolarHBondContact O-N 2.96Å; L280-F284 HydrophobicContact CB-CD2 4.4Å; L280-F284 HydrophobicContact CB-CE2 4.34Å; L280-F284 HydrophobicContact CD2-CE2 4.34Å; L280-F284 WeakPolarHBondContact O-CD2 3.18Å; L280-F284 PolarHBondContact O-N 3.33Å
281	K	98.3	Very high	97.8	Very high	86 Å²	86	70.1 Å²	70.1	37%	0.374	35%	0.353	S	S	.	.	H	α-helix	trans	-59.6	-48.4	174.2	-78	-165.9	167.9	-124.7	0	111.5	V143 R277 A278 F283 F284 H285 W301	V143-K281 HydrophobicContact CG2-CG 3.84Å; R277-K281 WeakPolarHBondContact O-CG 3.38Å; R277-K281 PolarHBondContact O-N 3.38Å; A278-K281 WeakPolarHBondContact O-CB 3.48Å; A278-K281 PolarHBondContact O-N 3.31Å; A278-K281 VanDerWaalsContact O-N 3.17Å; K281-F283 VanDerWaalsContact C-N 3.31Å; K281-F283 PolarHBondContact O-N 2.92Å; K281-F284 PolarHBondContact O-N 3.3Å; K281-H285 WeakPolarHBondContact O-CB 3.48Å; K281-H285 PolarHBondContact O-N 2.99Å; K281-W301 PolarHBondContact NZ-OXT 3.3Å
282	T	98.1	Very high	98	Very high	111 Å²	111	61.9 Å²	61.9	68%	0.681	32%	0.316	S	S	*	.	H	α-helix	trans	-57.3	-45.5	176	-58.2	0	0	0	0	111.4	A278 R279 H285	A278-T282 PolarHBondContact O-N 3.39Å; A278-T282 PolarHBondContact O-OG1 2.99Å; A278-T282 VanDerWaalsContact O-OG1 3.13Å; R279-T282 PolarHBondContact O-N 3.36Å; T282-H285 PolarHBondContact O-N 2.81Å
283	F	98.4	Very high	98	Very high	44 Å²	44	64.4 Å²	64.4	19%	0.193	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-47.1	177.9	171.8	-97.2	0	0	0	112.9	V178 A180 I185 L189 R279 L280 K281 H285 Y287	V178-F283 HydrophobicContact CB-CB 4.34Å; V178-F283 HydrophobicContact CB-CD1 4.26Å; V178-F283 HydrophobicContact CB-CD2 3.63Å; V178-F283 HydrophobicContact CB-CE2 3.94Å; V178-F283 HydrophobicContact CB-CG 3.8Å; V178-F283 HydrophobicContact CB-CZ 4.38Å; V178-F283 HydrophobicContact CG1-CD1 3.75Å; V178-F283 HydrophobicContact CG1-CD2 3.94Å; V178-F283 HydrophobicContact CG1-CE1 3.77Å; V178-F283 HydrophobicContact CG1-CE2 3.95Å; V178-F283 HydrophobicContact CG1-CG 3.84Å; V178-F283 HydrophobicContact CG1-CZ 3.87Å; V178-F283 HydrophobicContact CG2-CB 3.78Å; V178-F283 HydrophobicContact CG2-CD1 4.38Å; V178-F283 HydrophobicContact CG2-CD2 4.02Å; V178-F283 HydrophobicContact CG2-CG 3.8Å; A180-F283 HydrophobicContact CB-CE2 4.46Å; A180-F283 HydrophobicContact CB-CZ 4.05Å; I185-F283 HydrophobicContact CG2-CD1 4.46Å; I185-F283 HydrophobicContact CG2-CE1 3.53Å; I185-F283 HydrophobicContact CG2-CZ 3.97Å; L189-F283 HydrophobicContact CD2-CE1 3.92Å; L189-F283 HydrophobicContact CD2-CZ 4.31Å; R279-F283 WeakPolarHBondContact O-CB 3.21Å; R279-F283 PolarHBondContact O-N 2.95Å; L280-F283 PolarHBondContact O-N 2.96Å; K281-F283 VanDerWaalsContact C-N 3.31Å; K281-F283 PolarHBondContact O-N 2.92Å; F283-H285 VanDerWaalsContact C-N 3.33Å; F283-H285 PolarHBondContact O-N 2.9Å; F283-Y287 HydrophobicContact CE1-CE2 4.41Å; F283-Y287 HydrophobicContact CE2-CE2 4.24Å; F283-Y287 HydrophobicContact CZ-CE2 4.05Å; F283-Y287 WeakPolarHBondContact O-CD2 3.48Å
284	F	98.6	Very high	98	Very high	1 Å²	1	63.5 Å²	63.5	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-74.3	-21.8	-177.9	-73.3	-59.5	0	0	0	113.6	P142 V143 I185 L189 L280 K281 K286 Y287 N288	P142-F284 HydrophobicContact CB-CB 4.43Å; P142-F284 HydrophobicContact CB-CD1 3.97Å; P142-F284 HydrophobicContact CB-CD2 3.97Å; P142-F284 HydrophobicContact CB-CE1 4.17Å; P142-F284 HydrophobicContact CB-CE2 4.18Å; P142-F284 HydrophobicContact CB-CG 3.88Å; P142-F284 HydrophobicContact CB-CZ 4.27Å; P142-F284 HydrophobicContact CG-CB 3.86Å; P142-F284 HydrophobicContact CG-CD1 4.31Å; P142-F284 HydrophobicContact CG-CD2 4.02Å; P142-F284 HydrophobicContact CG-CG 3.82Å; V143-F284 HydrophobicContact CG2-CD2 3.79Å; V143-F284 HydrophobicContact CG2-CE2 4.25Å; I185-F284 HydrophobicContact CD1-CE2 4.32Å; I185-F284 HydrophobicContact CD1-CZ 3.85Å; I185-F284 HydrophobicContact CG2-CE1 4.27Å; I185-F284 HydrophobicContact CG2-CZ 4.2Å; L189-F284 HydrophobicContact CD2-CD1 3.81Å; L189-F284 HydrophobicContact CD2-CE1 3.73Å; L280-F284 HydrophobicContact CB-CD2 4.4Å; L280-F284 HydrophobicContact CB-CE2 4.34Å; L280-F284 HydrophobicContact CD2-CE2 4.34Å; L280-F284 WeakPolarHBondContact O-CD2 3.18Å; L280-F284 PolarHBondContact O-N 3.33Å; K281-F284 PolarHBondContact O-N 3.3Å; F284-K286 PolarHBondContact O-N 2.93Å; F284-Y287 PolarHBondContact O-N 3.33Å; F284-N288 PolarHBondContact O-N 3.46Å; F284-N288 PolarHBondContact O-OD1 2.97Å
285	H	98.3	Very high	97.9	Very high	109 Å²	109	59.4 Å²	59.4	51%	0.505	31%	0.307	S	S	.	.	H	α-helix	trans	-49.5	-51.9	-171.7	-176.3	76.6	0	0	0	113.4	K281 T282 F283 Y287 N288 Q289	K281-H285 WeakPolarHBondContact O-CB 3.48Å; K281-H285 PolarHBondContact O-N 2.99Å; T282-H285 PolarHBondContact O-N 2.81Å; F283-H285 VanDerWaalsContact C-N 3.33Å; F283-H285 PolarHBondContact O-N 2.9Å; H285-Y287 VanDerWaalsContact C-N 3.34Å; H285-Y287 PolarHBondContact O-N 3.23Å; H285-N288 WeakPolarHBondContact O-CB 3.45Å; H285-N288 PolarHBondContact O-N 2.95Å; H285-Q289 WeakPolarHBondContact O-CG 3.38Å; H285-Q289 PolarHBondContact O-N 3.05Å
286	K	97.7	Very high	97.8	Very high	151 Å²	151	63.6 Å²	63.6	66%	0.657	32%	0.324	S	S	*	.	H	α-helix	trans	-61	-40.9	178.9	179.6	177.5	177.2	177.6	0	112.5	F284 N288 Q289 L290	F284-K286 PolarHBondContact O-N 2.93Å; K286-N288 VanDerWaalsContact C-N 3.34Å; K286-Q289 PolarHBondContact O-N 3.39Å; K286-L290 HydrophobicContact CG-CD1 4.46Å; K286-L290 WeakPolarHBondContact O-CG 3.38Å; K286-L290 PolarHBondContact O-N 3.04Å
287	Y	98.4	Very high	97.7	Very high	72 Å²	72	66.3 Å²	66.3	28%	0.282	33%	0.334	S	S	.	.	H	α-helix	trans	-69.7	-33.8	179.3	-61.8	-81.7	0	0	0	112.1	L189 V191 F283 F284 H285 L290 F291	L189-Y287 HydrophobicContact CD1-CE1 4.41Å; L189-Y287 HydrophobicContact CD2-CD1 4Å; L189-Y287 HydrophobicContact CD2-CD2 3.66Å; L189-Y287 HydrophobicContact CD2-CE1 4.28Å; L189-Y287 HydrophobicContact CD2-CE2 3.96Å; L189-Y287 HydrophobicContact CD2-CG 3.68Å; V191-Y287 HydrophobicContact CG1-CD1 4.09Å; F283-Y287 HydrophobicContact CE1-CE2 4.41Å; F283-Y287 HydrophobicContact CE2-CE2 4.24Å; F283-Y287 HydrophobicContact CZ-CE2 4.05Å; F283-Y287 WeakPolarHBondContact O-CD2 3.48Å; F284-Y287 PolarHBondContact O-N 3.33Å; H285-Y287 VanDerWaalsContact C-N 3.34Å; H285-Y287 PolarHBondContact O-N 3.23Å; Y287-L290 PolarHBondContact O-N 3.17Å; Y287-F291 WeakPolarHBondContact O-CB 3.25Å; Y287-F291 PolarHBondContact O-N 2.61Å
288	N	98.5	Very high	97.6	Very high	8 Å²	8	65.2 Å²	65.2	4%	0.043	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-47.5	174.6	-70.4	-3.6	0	0	0	110.9	F284 H285 K286 L290 F291 Y292	F284-N288 PolarHBondContact O-N 3.46Å; F284-N288 PolarHBondContact O-OD1 2.97Å; H285-N288 WeakPolarHBondContact O-CB 3.45Å; H285-N288 PolarHBondContact O-N 2.95Å; K286-N288 VanDerWaalsContact C-N 3.34Å; N288-L290 VanDerWaalsContact C-N 3.31Å; N288-L290 PolarHBondContact O-N 3.26Å; N288-F291 CarbonylContact O-C 3.2Å; N288-F291 WeakPolarHBondContact O-CA 3.44Å; N288-F291 WeakPolarHBondContact O-CB 3.46Å; N288-F291 PolarHBondContact O-N 2.93Å; N288-Y292 HydrophobicContact CB-CE1 4.3Å; N288-Y292 HydrophobicContact CB-CE2 4.08Å; N288-Y292 VanDerWaalsContact O-CD1 3.25Å; N288-Y292 WeakPolarHBondContact O-CD1 3.44Å; N288-Y292 WeakPolarHBondContact O-CD2 3.49Å; N288-Y292 PolarHBondContact O-N 3.05Å
289	Q	98.4	Very high	97.6	Very high	97 Å²	97	63.5 Å²	63.5	45%	0.453	33%	0.326	S	S	.	.	H	α-helix	trans	-58.1	-44	177.3	-64.2	-53.8	-37.2	0	0	111.9	H285 K286 F291 Y292 A293	H285-Q289 WeakPolarHBondContact O-CG 3.38Å; H285-Q289 PolarHBondContact O-N 3.05Å; K286-Q289 PolarHBondContact O-N 3.39Å; Q289-F291 VanDerWaalsContact C-N 3.34Å; Q289-F291 PolarHBondContact O-N 2.93Å; Q289-Y292 PolarHBondContact O-N 3.31Å; Q289-A293 PolarHBondContact O-N 2.95Å; Q289-A293 VanDerWaalsContact O-N 3.09Å
290	L	98.5	Very high	97.3	Very high	65 Å²	65	65.7 Å²	65.7	34%	0.34	35%	0.349	S	S	.	.	H	α-helix	trans	-66.6	-36.3	175.9	-64.4	170.7	0	0	0	112.4	V191 K286 Y287 N288 C294	V191-L290 HydrophobicContact CB-CB 4.25Å; V191-L290 HydrophobicContact CG1-CB 4.29Å; V191-L290 HydrophobicContact CG2-CB 3.81Å; K286-L290 HydrophobicContact CG-CD1 4.46Å; K286-L290 WeakPolarHBondContact O-CG 3.38Å; K286-L290 PolarHBondContact O-N 3.04Å; Y287-L290 PolarHBondContact O-N 3.17Å; N288-L290 VanDerWaalsContact C-N 3.31Å; N288-L290 PolarHBondContact O-N 3.26Å; L290-C294 PolarHBondContact O-N 2.97Å; L290-C294 VanDerWaalsContact O-N 3.07Å; L290-C294 PolarHBondContact O-SG 3.09Å
291	F	98.5	Very high	97.1	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-43.5	174.3	176.3	-107.1	0	0	0	111.1	L137 V139 Y190 V191 L194 I208 Y287 N288 Q289 A293 C294 A295 F299 W301	L137-F291 HydrophobicContact CD2-CE2 4.43Å; V139-F291 HydrophobicContact CB-CZ 4.47Å; V139-F291 HydrophobicContact CG1-CZ 3.91Å; V139-F291 HydrophobicContact CG2-CE1 4.24Å; V139-F291 HydrophobicContact CG2-CZ 4.16Å; Y190-F291 VanDerWaalsContact CB-CD2 3.46Å; Y190-F291 HydrophobicContact CD2-CD1 4.5Å; Y190-F291 HydrophobicContact CD2-CE1 4.41Å; V191-F291 HydrophobicContact CB-CB 4.05Å; L194-F291 HydrophobicContact CB-CD2 4.25Å; L194-F291 HydrophobicContact CB-CE2 4.12Å; L194-F291 HydrophobicContact CD2-CD2 3.73Å; L194-F291 HydrophobicContact CD2-CE2 3.53Å; L194-F291 HydrophobicContact CG-CE2 4.38Å; I208-F291 HydrophobicContact CD1-CZ 4.37Å; I208-F291 HydrophobicContact CG2-CZ 4.04Å; Y287-F291 WeakPolarHBondContact O-CB 3.25Å; Y287-F291 PolarHBondContact O-N 2.61Å; N288-F291 CarbonylContact O-C 3.2Å; N288-F291 WeakPolarHBondContact O-CA 3.44Å; N288-F291 WeakPolarHBondContact O-CB 3.46Å; N288-F291 PolarHBondContact O-N 2.93Å; Q289-F291 VanDerWaalsContact C-N 3.34Å; Q289-F291 PolarHBondContact O-N 2.93Å; F291-A293 VanDerWaalsContact C-N 3.35Å; F291-A293 PolarHBondContact O-N 3.41Å; F291-C294 PolarHBondContact O-N 2.82Å; F291-A295 HydrophobicContact CE1-CB 4.36Å; F291-A295 HydrophobicContact CZ-CB 4.33Å; F291-A295 WeakPolarHBondContact O-CB 3.5Å; F291-A295 PolarHBondContact O-N 2.87Å; F291-F299 HydrophobicContact CD1-CE2 4.3Å; F291-F299 HydrophobicContact CE1-CD2 4.19Å; F291-F299 AromaticContact CE1-CE2 3.6Å; F291-F299 HydrophobicContact CE1-CE2 3.6Å; F291-F299 HydrophobicContact CE1-CZ 4.14Å; F291-W301 HydrophobicContact CD1-CH2 4.2Å; F291-W301 AromaticContact CD1-CZ3 3.81Å; F291-W301 HydrophobicContact CD1-CZ3 3.81Å; F291-W301 AromaticContact CE1-CH2 3.76Å; F291-W301 HydrophobicContact CE1-CH2 3.76Å; F291-W301 AromaticContact CE1-CZ3 3.87Å; F291-W301 HydrophobicContact CE1-CZ3 3.87Å
292	Y	98.2	Very high	97	Very high	18 Å²	18	66.4 Å²	66.4	7%	0.071	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-43.1	179.1	-56.7	-21.5	0	0	0	112	N288 Q289 A295 N296 R297 F299 W301	N288-Y292 HydrophobicContact CB-CE1 4.3Å; N288-Y292 HydrophobicContact CB-CE2 4.08Å; N288-Y292 VanDerWaalsContact O-CD1 3.25Å; N288-Y292 WeakPolarHBondContact O-CD1 3.44Å; N288-Y292 WeakPolarHBondContact O-CD2 3.49Å; N288-Y292 PolarHBondContact O-N 3.05Å; Q289-Y292 PolarHBondContact O-N 3.31Å; Y292-A295 PolarHBondContact O-N 2.94Å; Y292-N296 WeakPolarHBondContact O-CA 3.33Å; Y292-N296 PolarHBondContact O-N 3.3Å; Y292-R297 WeakPolarHBondContact CA-O 3.44Å; Y292-R297 WeakPolarHBondContact CB-O 3.4Å; Y292-R297 PolarHBondContact O-N 3.42Å; Y292-F299 AromaticContact CD1-CD2 3.59Å; Y292-F299 HydrophobicContact CD1-CD2 3.59Å; Y292-F299 HydrophobicContact CD1-CE2 4.27Å; Y292-F299 HydrophobicContact CE1-CB 3.81Å; Y292-F299 AromaticContact CE1-CD2 3.41Å; Y292-F299 HydrophobicContact CE1-CD2 3.41Å; Y292-F299 VanDerWaalsContact CE1-CD2 3.41Å; Y292-F299 HydrophobicContact CE1-CE2 4.39Å; Y292-F299 HydrophobicContact CE1-CG 4.04Å; Y292-F299 PolarHBondContact OH-O 2.63Å; Y292-W301 HydrophobicContact CE1-CD2 4.48Å; Y292-W301 AromaticContact CE1-CE3 3.74Å; Y292-W301 HydrophobicContact CE1-CE3 3.74Å; Y292-W301 AromaticContact CE1-CZ3 3.82Å; Y292-W301 HydrophobicContact CE1-CZ3 3.82Å; Y292-W301 WeakPolarHBondContact OH-CB 3.42Å
293	A	97.1	Very high	96.9	Very high	82 Å²	82	64.1 Å²	64.1	68%	0.678	34%	0.337	S	S	*	.	H	α-helix	trans	-60.7	-46	174.1	0	0	0	0	0	111.9	Q289 F291 N296	Q289-A293 PolarHBondContact O-N 2.95Å; Q289-A293 VanDerWaalsContact O-N 3.09Å; F291-A293 VanDerWaalsContact C-N 3.35Å; F291-A293 PolarHBondContact O-N 3.41Å; A293-N296 PolarHBondContact O-N 3.08Å
294	C	96.2	Very high	96.9	Very high	37 Å²	37	65.2 Å²	65.2	25%	0.25	35%	0.346	C	S	.	.	H	α-helix	trans	-68.3	-33.2	176.8	-74.4	0	0	0	0	113.5	L194 L198 L290 F291 N296	L194-C294 HydrophobicContact CD2-CB 3.82Å; L198-C294 HydrophobicContact CD1-CB 4.49Å; L290-C294 PolarHBondContact O-N 2.97Å; L290-C294 VanDerWaalsContact O-N 3.07Å; L290-C294 PolarHBondContact O-SG 3.09Å; F291-C294 PolarHBondContact O-N 2.82Å; C294-N296 VanDerWaalsContact C-N 3.34Å
295	A	95.6	Very high	96.8	Very high	18 Å²	18	68.9 Å²	68.9	15%	0.149	37%	0.366	C	S	.	.	H	α-helix	trans	-80.8	-16	-178.5	0	0	0	0	0	113.2	L194 I208 F291 Y292 R297	L194-A295 HydrophobicContact CD2-CB 4.27Å; I208-A295 HydrophobicContact CD1-CB 3.4Å; I208-A295 VanDerWaalsContact CD1-CB 3.4Å; F291-A295 HydrophobicContact CE1-CB 4.36Å; F291-A295 HydrophobicContact CZ-CB 4.33Å; F291-A295 WeakPolarHBondContact O-CB 3.5Å; F291-A295 PolarHBondContact O-N 2.87Å; Y292-A295 PolarHBondContact O-N 2.94Å; A295-R297 HydrophobicContact CB-CB 4.33Å; A295-R297 PolarHBondContact O-N 2.86Å
296	N	95.1	Very high	96.7	Very high	156 Å²	156	66.4 Å²	66.4	83%	0.834	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	39.5	-165	-165.1	32.7	0	0	0	112.3	Y292 A293 C294	Y292-N296 WeakPolarHBondContact O-CA 3.33Å; Y292-N296 PolarHBondContact O-N 3.3Å; A293-N296 PolarHBondContact O-N 3.08Å; C294-N296 VanDerWaalsContact C-N 3.34Å
297	R	95.7	Very high	96.6	Very high	59 Å²	59	60.8 Å²	60.8	22%	0.223	34%	0.337	C	S	.	.			trans	-154.4	132.8	-177.4	-178.7	173.7	175	170.3	1.6	109.5	I208 E221 Y292 A295 F299	I208-R297 PolarHBondContact O-NH1 2.73Å; E221-R297 IonicContact OE1-CZ 3.2Å; E221-R297 IonicContact OE1-NH1 3.58Å; E221-R297 IonicContact OE1-NH2 3.75Å; E221-R297 PolarHBondContact OE1-NH2 3.2Å; E221-R297 IonicContact OE2-NH1 3.93Å; E221-R297 IonicContact OE2-NH2 2.83Å; Y292-R297 WeakPolarHBondContact CA-O 3.44Å; Y292-R297 WeakPolarHBondContact CB-O 3.4Å; Y292-R297 PolarHBondContact O-N 3.42Å; A295-R297 HydrophobicContact CB-CB 4.33Å; A295-R297 PolarHBondContact O-N 2.86Å; R297-F299 HydrophobicContact CB-CE2 4.21Å; R297-F299 HydrophobicContact CG-CE2 3.93Å; R297-F299 HydrophobicContact CG-CZ 3.98Å
298	T	96.4	Very high	96.5	Very high	115 Å²	115	60 Å²	60	71%	0.706	34%	0.341	S	S	*	.			trans	-96.2	154.6	175.4	53.8	0	0	0	0	111.4
299	F	96.4	Very high	96.3	Very high	17 Å²	17	64 Å²	64	8%	0.075	36%	0.364	C	S	.	.			trans	-135.9	162.4	177.7	-57.5	-102.4	0	0	0	109	V139 I208 D210 F291 Y292 R297 W301	V139-F299 HydrophobicContact CG2-CE1 3.76Å; V139-F299 HydrophobicContact CG2-CZ 3.77Å; I208-F299 HydrophobicContact CG2-CZ 3.75Å; D210-F299 HydrophobicContact CB-CD1 4.01Å; D210-F299 HydrophobicContact CB-CE1 3.78Å; F291-F299 HydrophobicContact CD1-CE2 4.3Å; F291-F299 HydrophobicContact CE1-CD2 4.19Å; F291-F299 AromaticContact CE1-CE2 3.6Å; F291-F299 HydrophobicContact CE1-CE2 3.6Å; F291-F299 HydrophobicContact CE1-CZ 4.14Å; Y292-F299 AromaticContact CD1-CD2 3.59Å; Y292-F299 HydrophobicContact CD1-CD2 3.59Å; Y292-F299 HydrophobicContact CD1-CE2 4.27Å; Y292-F299 HydrophobicContact CE1-CB 3.81Å; Y292-F299 AromaticContact CE1-CD2 3.41Å; Y292-F299 HydrophobicContact CE1-CD2 3.41Å; Y292-F299 VanDerWaalsContact CE1-CD2 3.41Å; Y292-F299 HydrophobicContact CE1-CE2 4.39Å; Y292-F299 HydrophobicContact CE1-CG 4.04Å; Y292-F299 PolarHBondContact OH-O 2.63Å; R297-F299 HydrophobicContact CB-CE2 4.21Å; R297-F299 HydrophobicContact CG-CE2 3.93Å; R297-F299 HydrophobicContact CG-CZ 3.98Å; F299-W301 VanDerWaalsContact C-N 3.3Å; F299-W301 HydrophobicContact CB-CD2 3.63Å; F299-W301 VanDerWaalsContact CB-CE2 3.42Å; F299-W301 HydrophobicContact CB-CE3 4.12Å; F299-W301 HydrophobicContact CB-CG 4.02Å; F299-W301 HydrophobicContact CB-CH2 4.22Å; F299-W301 HydrophobicContact CB-CZ2 3.76Å; F299-W301 HydrophobicContact CB-CZ3 4.39Å; F299-W301 AromaticContact CD1-CE2 3.83Å; F299-W301 AromaticContact CD1-CH2 3.91Å; F299-W301 HydrophobicContact CD1-CH2 3.91Å; F299-W301 AromaticContact CD1-CZ2 3.34Å; F299-W301 HydrophobicContact CD1-CZ2 3.34Å; F299-W301 AromaticContact CD2-CH2 3.91Å; F299-W301 HydrophobicContact CD2-CH2 3.91Å; F299-W301 HydrophobicContact CD2-CZ2 4.13Å; F299-W301 HydrophobicContact CD2-CZ3 4.24Å; F299-W301 HydrophobicContact CE1-CH2 4.2Å; F299-W301 AromaticContact CE1-CZ2 3.89Å; F299-W301 HydrophobicContact CE1-CZ2 3.89Å; F299-W301 HydrophobicContact CE2-CH2 4.22Å; F299-W301 HydrophobicContact CG-CD2 4.24Å; F299-W301 AromaticContact CG-CE2 3.72Å; F299-W301 HydrophobicContact CG-CE3 4.48Å; F299-W301 AromaticContact CG-CH2 3.75Å; F299-W301 HydrophobicContact CG-CH2 3.75Å; F299-W301 AromaticContact CG-CZ2 3.47Å; F299-W301 HydrophobicContact CG-CZ2 3.47Å; F299-W301 VanDerWaalsContact CG-CZ2 3.47Å; F299-W301 HydrophobicContact CG-CZ3 4.25Å; F299-W301 HydrophobicContact CZ-CH2 4.35Å; F299-W301 HydrophobicContact CZ-CZ2 4.49Å; F299-W301 PolarHBondContact O-N 2.88Å
300	T	92.7	Very high	96.1	Very high	134 Å²	134	61.3 Å²	61.3	82%	0.822	36%	0.356	S	S	*	.			trans	-90	26.4	-172.5	62.4	0	0	0	0	114.3
301	W	93.2	Very high	95.9	Very high	34 Å²	34	60.9 Å²	60.9	13%	0.129	36%	0.358	C	S	.	.			trans	-80.5	0	-166.9	-51.9	-28.6	0	0	0	114	V139 D141 Y190 D212 K281 F291 Y292 F299	V139-W301 HydrophobicContact CB-CH2 3.81Å; V139-W301 HydrophobicContact CB-CZ2 4.18Å; V139-W301 HydrophobicContact CG2-CH2 3.63Å; V139-W301 HydrophobicContact CG2-CZ2 3.88Å; D141-W301 VanDerWaalsContact CA-CD1 3.47Å; D141-W301 HydrophobicContact CB-CB 4.43Å; D141-W301 HydrophobicContact CB-CG 4.03Å; D141-W301 VanDerWaalsContact N-NE1 3.19Å; Y190-W301 AromaticContact CD2-CH2 3.94Å; Y190-W301 HydrophobicContact CD2-CH2 3.94Å; Y190-W301 AromaticContact CD2-CZ3 3.76Å; Y190-W301 HydrophobicContact CD2-CZ3 3.76Å; Y190-W301 AromaticContact CE2-CH2 3.82Å; Y190-W301 HydrophobicContact CE2-CH2 3.82Å; Y190-W301 AromaticContact CE2-CZ3 3.85Å; Y190-W301 HydrophobicContact CE2-CZ3 3.85Å; D212-W301 PolarHBondContact OD2-NE1 3.1Å; K281-W301 PolarHBondContact NZ-OXT 3.3Å; F291-W301 HydrophobicContact CD1-CH2 4.2Å; F291-W301 AromaticContact CD1-CZ3 3.81Å; F291-W301 HydrophobicContact CD1-CZ3 3.81Å; F291-W301 AromaticContact CE1-CH2 3.76Å; F291-W301 HydrophobicContact CE1-CH2 3.76Å; F291-W301 AromaticContact CE1-CZ3 3.87Å; F291-W301 HydrophobicContact CE1-CZ3 3.87Å; Y292-W301 HydrophobicContact CE1-CD2 4.48Å; Y292-W301 AromaticContact CE1-CE3 3.74Å; Y292-W301 HydrophobicContact CE1-CE3 3.74Å; Y292-W301 AromaticContact CE1-CZ3 3.82Å; Y292-W301 HydrophobicContact CE1-CZ3 3.82Å; Y292-W301 WeakPolarHBondContact OH-CB 3.42Å; F299-W301 VanDerWaalsContact C-N 3.3Å; F299-W301 HydrophobicContact CB-CD2 3.63Å; F299-W301 VanDerWaalsContact CB-CE2 3.42Å; F299-W301 HydrophobicContact CB-CE3 4.12Å; F299-W301 HydrophobicContact CB-CG 4.02Å; F299-W301 HydrophobicContact CB-CH2 4.22Å; F299-W301 HydrophobicContact CB-CZ2 3.76Å; F299-W301 HydrophobicContact CB-CZ3 4.39Å; F299-W301 AromaticContact CD1-CE2 3.83Å; F299-W301 AromaticContact CD1-CH2 3.91Å; F299-W301 HydrophobicContact CD1-CH2 3.91Å; F299-W301 AromaticContact CD1-CZ2 3.34Å; F299-W301 HydrophobicContact CD1-CZ2 3.34Å; F299-W301 AromaticContact CD2-CH2 3.91Å; F299-W301 HydrophobicContact CD2-CH2 3.91Å; F299-W301 HydrophobicContact CD2-CZ2 4.13Å; F299-W301 HydrophobicContact CD2-CZ3 4.24Å; F299-W301 HydrophobicContact CE1-CH2 4.2Å; F299-W301 AromaticContact CE1-CZ2 3.89Å; F299-W301 HydrophobicContact CE1-CZ2 3.89Å; F299-W301 HydrophobicContact CE2-CH2 4.22Å; F299-W301 HydrophobicContact CG-CD2 4.24Å; F299-W301 AromaticContact CG-CE2 3.72Å; F299-W301 HydrophobicContact CG-CE3 4.48Å; F299-W301 AromaticContact CG-CH2 3.75Å; F299-W301 HydrophobicContact CG-CH2 3.75Å; F299-W301 AromaticContact CG-CZ2 3.47Å; F299-W301 HydrophobicContact CG-CZ2 3.47Å; F299-W301 VanDerWaalsContact CG-CZ2 3.47Å; F299-W301 HydrophobicContact CG-CZ3 4.25Å; F299-W301 HydrophobicContact CZ-CH2 4.35Å; F299-W301 HydrophobicContact CZ-CZ2 4.49Å; F299-W301 PolarHBondContact O-N 2.88Å

Retrieved 301 of 301 residues in 640.7 ms (Link to these results)

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