A0A3Q0KD59_SCHMA Loading...

Beta-1,4-galactosyltransferase AlphaSync

Catalyses the transfer of galactose onto proteins or lipids.

AlphaFold DB , UniProt , Accession A0A3Q0KD59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 365 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	44.2	Very low	251 Å²	251	154.9 Å²	154.9	100%	1.236	77%	0.773	S	S	*	*				0	136.8	0	-147.3	170.5	-173.6	0	0	107.6
2	M	37	Very low	45.7	Very low	157 Å²	157	156.4 Å²	156.4	77%	0.773	77%	0.771	S	S	*	*			trans	-54.7	152.8	-161.2	-79.3	163.3	65.2	0	0	118.6
3	Q	36.3	Very low	47	Very low	133 Å²	133	147.8 Å²	147.8	62%	0.621	75%	0.747	S	S	*	*			trans	42.7	115.8	141.1	-68.5	174	-7.7	0	0	119.7	F5	Q3-F5 HydrophobicContact CB-CD2 4.3Å; Q3-F5 VanDerWaalsContact CD-CE2 3.45Å; Q3-F5 HydrophobicContact CG-CD2 4.15Å; Q3-F5 HydrophobicContact CG-CE2 4.01Å
4	T	37.9	Very low	48.5	Very low	131 Å²	131	142.5 Å²	142.5	80%	0.804	73%	0.729	S	S	*	*			trans	-118.1	98.1	139.2	41.5	0	0	0	0	108.5	I6	T4-I6 PolarHBondContact O-N 2.71Å
5	F	40.8	Very low	49.9	Very low	171 Å²	171	136.4 Å²	136.4	75%	0.75	70%	0.704	S	S	*	*			trans	-65.4	97.8	165.3	-87.8	-85.4	0	0	0	108.4	Q3 S7	Q3-F5 HydrophobicContact CB-CD2 4.3Å; Q3-F5 VanDerWaalsContact CD-CE2 3.45Å; Q3-F5 HydrophobicContact CG-CD2 4.15Å; Q3-F5 HydrophobicContact CG-CE2 4.01Å; F5-S7 VanDerWaalsContact C-N 3.27Å; F5-S7 PolarHBondContact O-N 3.35Å
6	I	40.6	Very low	51.5	Low	151 Å²	151	133.6 Å²	133.6	77%	0.774	69%	0.69	S	S	*	*			trans	-76.9	93.1	163.9	-62.1	175.7	0	0	0	106.3	T4 Q8	T4-I6 PolarHBondContact O-N 2.71Å; I6-Q8 PolarHBondContact O-N 2.77Å
7	S	44	Very low	53	Low	89 Å²	89	134.1 Å²	134.1	62%	0.622	69%	0.686	S	S	*	*			trans	-37.8	111.4	160.6	176.6	0	0	0	0	109.2	F5 R9	F5-S7 VanDerWaalsContact C-N 3.27Å; F5-S7 PolarHBondContact O-N 3.35Å; S7-R9 PolarHBondContact O-N 3.36Å
8	Q	46.7	Very low	54.4	Low	182 Å²	182	133.8 Å²	133.8	85%	0.85	69%	0.685	S	S	*	*			trans	-64.1	87.9	162.3	-75.9	-179.2	-15.3	0	0	106.6	I6 I10	I6-Q8 PolarHBondContact O-N 2.77Å; Q8-I10 PolarHBondContact O-N 2.86Å
9	R	49.1	Very low	55.7	Low	225 Å²	225	134.7 Å²	134.7	85%	0.849	68%	0.684	S	S	*	*			trans	-60.6	95.5	164	-76.8	-176.1	173	-161.9	-1.1	106.2	S7 C11	S7-R9 PolarHBondContact O-N 3.36Å; R9-C11 PolarHBondContact O-N 3.27Å
10	I	55	Low	57.1	Low	141 Å²	141	132.9 Å²	132.9	72%	0.723	68%	0.675	S	S	*	*			trans	-49.5	110.6	163.6	-64.2	169.3	0	0	0	105.2	Q8 F12	Q8-I10 PolarHBondContact O-N 2.86Å; I10-F12 PolarHBondContact O-N 2.86Å
11	C	63.1	Low	58.3	Low	73 Å²	73	130.2 Å²	130.2	49%	0.493	66%	0.662	S	S	.	*			trans	-59.6	108.1	-179.6	-179.8	0	0	0	0	107.1	R9 G13 C14 S15	R9-C11 PolarHBondContact O-N 3.27Å; C11-G13 PolarHBondContact O-N 3.43Å; C11-G13 VanDerWaalsContact O-N 3.11Å; C11-C14 HydrophobicContact CB-CB 3.97Å; C11-C14 WeakPolarHBondContact O-CB 3.36Å; C11-C14 PolarHBondContact O-N 3.47Å; C11-S15 PolarHBondContact O-N 3.44Å
12	F	62	Low	60.4	Low	173 Å²	173	120.2 Å²	120.2	76%	0.759	62%	0.624	S	S	*	*	H	α-helix	trans	-54	-35.1	-177.3	-133.2	-90.6	0	0	0	110.7	I10 S15 I16	I10-F12 PolarHBondContact O-N 2.86Å; F12-S15 PolarHBondContact O-N 3.08Å; F12-I16 HydrophobicContact CD1-CD1 4.29Å; F12-I16 WeakPolarHBondContact O-CG1 3.41Å; F12-I16 PolarHBondContact O-N 3.07Å
13	G	62.2	Low	62.5	Low	44 Å²	44	116 Å²	116	45%	0.454	61%	0.609	S	S	.	*	H	α-helix	trans	-65.4	-36.8	173.9	0	0	0	0	0	114.4	C11 I16 F17	C11-G13 PolarHBondContact O-N 3.43Å; C11-G13 VanDerWaalsContact O-N 3.11Å; G13-I16 PolarHBondContact O-N 2.88Å; G13-F17 WeakPolarHBondContact O-CB 3.2Å; G13-F17 PolarHBondContact O-N 3.19Å
14	C	69	Low	64.8	Low	74 Å²	74	114.8 Å²	114.8	50%	0.5	61%	0.606	S	S	.	*	H	α-helix	trans	-68.1	-37.3	176.3	-72.1	0	0	0	0	111.9	C11 F17 L18	C11-C14 HydrophobicContact CB-CB 3.97Å; C11-C14 WeakPolarHBondContact O-CB 3.36Å; C11-C14 PolarHBondContact O-N 3.47Å; C14-F17 PolarHBondContact O-N 3.17Å; C14-L18 WeakPolarHBondContact O-CG 3.38Å; C14-L18 PolarHBondContact O-N 2.96Å
15	S	68.9	Low	66.8	Low	51 Å²	51	115.5 Å²	115.5	36%	0.357	60%	0.599	S	S	.	*	H	α-helix	trans	-64.7	-44.2	176.7	-164.4	0	0	0	0	111.3	C11 F12 F17 L18 F19	C11-S15 PolarHBondContact O-N 3.44Å; F12-S15 PolarHBondContact O-N 3.08Å; S15-F17 PolarHBondContact O-N 3.31Å; S15-L18 PolarHBondContact O-N 2.73Å; S15-F19 WeakPolarHBondContact O-CD2 3.48Å; S15-F19 PolarHBondContact O-N 3.2Å
16	I	75.4	Confident	68.5	Low	91 Å²	91	112.6 Å²	112.6	47%	0.467	59%	0.59	S	S	.	*	H	α-helix	trans	-62.6	-43.2	176.1	-66.5	166.7	0	0	0	111.1	F12 G13 L18 F19 L20	F12-I16 HydrophobicContact CD1-CD1 4.29Å; F12-I16 WeakPolarHBondContact O-CG1 3.41Å; F12-I16 PolarHBondContact O-N 3.07Å; G13-I16 PolarHBondContact O-N 2.88Å; I16-L18 PolarHBondContact O-N 3.11Å; I16-F19 PolarHBondContact O-N 3.2Å; I16-L20 HydrophobicContact CG2-CD1 3.8Å; I16-L20 HydrophobicContact CG2-CG 4.33Å; I16-L20 WeakPolarHBondContact O-CB 3.4Å; I16-L20 WeakPolarHBondContact O-CG 3.29Å; I16-L20 PolarHBondContact O-N 3.37Å
17	F	76.6	Confident	70.3	Confident	143 Å²	143	113.3 Å²	113.3	63%	0.627	58%	0.584	S	S	*	*	H	α-helix	trans	-63.5	-42.9	-179.8	-137.9	-94.9	0	0	0	111.9	G13 C14 S15 L20 L21	G13-F17 WeakPolarHBondContact O-CB 3.2Å; G13-F17 PolarHBondContact O-N 3.19Å; C14-F17 PolarHBondContact O-N 3.17Å; S15-F17 PolarHBondContact O-N 3.31Å; F17-L20 PolarHBondContact O-N 2.96Å; F17-L21 HydrophobicContact CD1-CD1 3.64Å; F17-L21 HydrophobicContact CE1-CD1 4.01Å; F17-L21 WeakPolarHBondContact O-CB 3.45Å; F17-L21 PolarHBondContact O-N 3.45Å
18	L	78.2	Confident	71.6	Confident	128 Å²	128	111.9 Å²	111.9	67%	0.67	57%	0.572	S	S	*	*	H	α-helix	trans	-64.6	-40.5	175.5	-73.3	168.5	0	0	0	112.1	C14 S15 I16 G22	C14-L18 WeakPolarHBondContact O-CG 3.38Å; C14-L18 PolarHBondContact O-N 2.96Å; S15-L18 PolarHBondContact O-N 2.73Å; I16-L18 PolarHBondContact O-N 3.11Å; L18-G22 PolarHBondContact O-N 3.42Å
19	F	80.5	Confident	72.4	Confident	152 Å²	152	110 Å²	110	67%	0.667	56%	0.562	S	S	*	*	H	α-helix	trans	-63.9	-42.1	174.9	-101.4	-83.5	0	0	0	112.7	S15 I16 G22 S23	S15-F19 WeakPolarHBondContact O-CD2 3.48Å; S15-F19 PolarHBondContact O-N 3.2Å; I16-F19 PolarHBondContact O-N 3.2Å; F19-G22 PolarHBondContact O-N 2.85Å; F19-S23 WeakPolarHBondContact O-CB 3.31Å; F19-S23 PolarHBondContact O-N 2.83Å; F19-S23 PolarHBondContact O-OG 2.8Å
20	L	83	Confident	72.9	Confident	97 Å²	97	103 Å²	103	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-66.6	-44.1	177.8	-74.1	169.2	0	0	0	111.3	I16 F17 S23 I24	I16-L20 HydrophobicContact CG2-CD1 3.8Å; I16-L20 HydrophobicContact CG2-CG 4.33Å; I16-L20 WeakPolarHBondContact O-CB 3.4Å; I16-L20 WeakPolarHBondContact O-CG 3.29Å; I16-L20 PolarHBondContact O-N 3.37Å; F17-L20 PolarHBondContact O-N 2.96Å; L20-S23 PolarHBondContact O-N 2.92Å; L20-I24 VanDerWaalsContact O-CG1 3.26Å; L20-I24 WeakPolarHBondContact O-CG1 3.37Å; L20-I24 PolarHBondContact O-N 3.11Å
21	L	82	Confident	72.9	Confident	77 Å²	77	98.2 Å²	98.2	40%	0.403	52%	0.52	S	S	.	.	H	α-helix	trans	-59.1	-49.2	173.6	-94.1	145.3	0	0	0	111.3	F17 S23 I24 F25	F17-L21 HydrophobicContact CD1-CD1 3.64Å; F17-L21 HydrophobicContact CE1-CD1 4.01Å; F17-L21 WeakPolarHBondContact O-CB 3.45Å; F17-L21 PolarHBondContact O-N 3.45Å; L21-S23 VanDerWaalsContact C-N 3.31Å; L21-S23 PolarHBondContact O-N 2.73Å; L21-I24 PolarHBondContact O-N 3.26Å; L21-F25 HydrophobicContact CD2-CD2 4.41Å; L21-F25 HydrophobicContact CD2-CE2 3.91Å; L21-F25 VanDerWaalsContact O-CD2 3.23Å; L21-F25 WeakPolarHBondContact O-CD2 3.34Å; L21-F25 PolarHBondContact O-N 2.83Å
22	G	80.1	Confident	72.3	Confident	41 Å²	41	103.8 Å²	103.8	42%	0.423	53%	0.531	S	S	.	.	H	α-helix	trans	-58.9	-40.8	176.8	0	0	0	0	0	112.8	L18 F19 F25 L26	L18-G22 PolarHBondContact O-N 3.42Å; F19-G22 PolarHBondContact O-N 2.85Å; G22-F25 PolarHBondContact O-N 3.3Å; G22-L26 WeakPolarHBondContact O-CB 3.41Å; G22-L26 PolarHBondContact O-N 2.89Å
23	S	81.4	Confident	71.8	Confident	68 Å²	68	99.3 Å²	99.3	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-67.6	-39.8	177.4	-56.5	0	0	0	0	112.5	F19 L20 L21 L26 Y27	F19-S23 WeakPolarHBondContact O-CB 3.31Å; F19-S23 PolarHBondContact O-N 2.83Å; F19-S23 PolarHBondContact O-OG 2.8Å; L20-S23 PolarHBondContact O-N 2.92Å; L21-S23 VanDerWaalsContact C-N 3.31Å; L21-S23 PolarHBondContact O-N 2.73Å; S23-L26 PolarHBondContact O-N 2.97Å; S23-Y27 WeakPolarHBondContact O-CB 3.4Å; S23-Y27 PolarHBondContact O-N 3.25Å
24	I	84.2	Confident	70.8	Confident	109 Å²	109	104.2 Å²	104.2	56%	0.559	53%	0.532	S	S	*	.	H	α-helix	trans	-65.8	-45.1	175.2	-69	164.7	0	0	0	110.2	L20 L21 L26 Y27 V28	L20-I24 VanDerWaalsContact O-CG1 3.26Å; L20-I24 WeakPolarHBondContact O-CG1 3.37Å; L20-I24 PolarHBondContact O-N 3.11Å; L21-I24 PolarHBondContact O-N 3.26Å; I24-L26 VanDerWaalsContact C-N 3.33Å; I24-L26 PolarHBondContact O-N 3.2Å; I24-Y27 PolarHBondContact O-N 2.93Å; I24-V28 HydrophobicContact CG2-CG2 4.26Å; I24-V28 WeakPolarHBondContact O-CB 3.05Å; I24-V28 VanDerWaalsContact O-CG2 3.25Å; I24-V28 WeakPolarHBondContact O-CG2 3.33Å; I24-V28 PolarHBondContact O-N 3.44Å
25	F	79.1	Confident	69.2	Low	146 Å²	146	106.3 Å²	106.3	64%	0.64	54%	0.538	S	S	*	.	H	α-helix	trans	-60.3	-43.6	175.7	-87.5	-71.8	0	0	0	111.6	L21 G22 V28 H29	L21-F25 HydrophobicContact CD2-CD2 4.41Å; L21-F25 HydrophobicContact CD2-CE2 3.91Å; L21-F25 VanDerWaalsContact O-CD2 3.23Å; L21-F25 WeakPolarHBondContact O-CD2 3.34Å; L21-F25 PolarHBondContact O-N 2.83Å; G22-F25 PolarHBondContact O-N 3.3Å; F25-V28 PolarHBondContact O-N 3.39Å; F25-H29 VanDerWaalsContact O-CB 3.29Å; F25-H29 WeakPolarHBondContact O-CB 3.26Å; F25-H29 PolarHBondContact O-N 3.37Å
26	L	76.9	Confident	67.8	Low	110 Å²	110	107.6 Å²	107.6	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-64.2	-45.1	176.6	-172.9	65.1	0	0	0	111.7	G22 S23 I24 H29 I30	G22-L26 WeakPolarHBondContact O-CB 3.41Å; G22-L26 PolarHBondContact O-N 2.89Å; S23-L26 PolarHBondContact O-N 2.97Å; I24-L26 VanDerWaalsContact C-N 3.33Å; I24-L26 PolarHBondContact O-N 3.2Å; L26-H29 PolarHBondContact O-N 3.03Å; L26-I30 HydrophobicContact CD1-CD1 4.32Å; L26-I30 HydrophobicContact CG-CD1 3.92Å; L26-I30 VanDerWaalsContact O-CG1 3.29Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.25Å
27	Y	79.2	Confident	66	Low	165 Å²	165	106.7 Å²	106.7	65%	0.647	54%	0.541	S	S	*	.	H	α-helix	trans	-61.7	-45.6	176.5	178.5	-96.5	0	0	0	112	S23 I24 H29 I30 S31	S23-Y27 WeakPolarHBondContact O-CB 3.4Å; S23-Y27 PolarHBondContact O-N 3.25Å; I24-Y27 PolarHBondContact O-N 2.93Å; Y27-H29 VanDerWaalsContact C-N 3.27Å; Y27-H29 PolarHBondContact O-N 3.16Å; Y27-I30 PolarHBondContact O-N 2.89Å; Y27-S31 WeakPolarHBondContact O-CB 3.07Å; Y27-S31 PolarHBondContact O-N 3.45Å
28	V	71.4	Confident	63.9	Low	59 Å²	59	107.4 Å²	107.4	36%	0.358	55%	0.551	S	S	.	*	H	α-helix	trans	-62.5	-37.3	175.6	171.2	0	0	0	0	110.5	I24 F25 R32	I24-V28 HydrophobicContact CG2-CG2 4.26Å; I24-V28 WeakPolarHBondContact O-CB 3.05Å; I24-V28 VanDerWaalsContact O-CG2 3.25Å; I24-V28 WeakPolarHBondContact O-CG2 3.33Å; I24-V28 PolarHBondContact O-N 3.44Å; F25-V28 PolarHBondContact O-N 3.39Å; V28-R32 HydrophobicContact CG1-CG 4.44Å; V28-R32 WeakPolarHBondContact O-CB 3.43Å; V28-R32 VanDerWaalsContact O-CG 3.27Å; V28-R32 WeakPolarHBondContact O-CG 3.34Å; V28-R32 PolarHBondContact O-N 3.42Å
29	H	63.6	Low	62.1	Low	142 Å²	142	106 Å²	106	66%	0.657	54%	0.54	S	S	*	.	H	α-helix	trans	-70.4	-40.2	177.7	-151.8	-47.2	0	0	0	112.4	F25 L26 Y27 S33	F25-H29 VanDerWaalsContact O-CB 3.29Å; F25-H29 WeakPolarHBondContact O-CB 3.26Å; F25-H29 PolarHBondContact O-N 3.37Å; L26-H29 PolarHBondContact O-N 3.03Å; Y27-H29 VanDerWaalsContact C-N 3.27Å; Y27-H29 PolarHBondContact O-N 3.16Å; H29-S33 VanDerWaalsContact O-CB 3.31Å; H29-S33 WeakPolarHBondContact O-CB 3.36Å; H29-S33 PolarHBondContact O-N 3.48Å
30	I	59.4	Low	59.8	Low	80 Å²	80	106.2 Å²	106.2	41%	0.41	55%	0.547	S	S	.	.	H	α-helix	trans	-66.6	-48.8	174.3	-68.4	167.4	0	0	0	110	L26 Y27 R32 S33 Q34	L26-I30 HydrophobicContact CD1-CD1 4.32Å; L26-I30 HydrophobicContact CG-CD1 3.92Å; L26-I30 VanDerWaalsContact O-CG1 3.29Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.25Å; Y27-I30 PolarHBondContact O-N 2.89Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.44Å; I30-S33 CarbonylContact O-C 3.58Å; I30-S33 WeakPolarHBondContact O-CB 3.37Å; I30-S33 PolarHBondContact O-N 3.48Å; I30-S33 VanDerWaalsContact O-N 3.11Å; I30-Q34 HydrophobicContact CG2-CG 4.44Å; I30-Q34 WeakPolarHBondContact O-CB 3.3Å; I30-Q34 WeakPolarHBondContact O-CG 3.48Å; I30-Q34 PolarHBondContact O-N 2.74Å
31	S	54.5	Low	57.7	Low	39 Å²	39	106.7 Å²	106.7	27%	0.273	54%	0.542	S	S	.	.	H	α-helix	trans	-62.1	-39.2	179.2	-173.3	0	0	0	0	111.5	Y27 Q34 N35	Y27-S31 WeakPolarHBondContact O-CB 3.07Å; Y27-S31 PolarHBondContact O-N 3.45Å; S31-Q34 PolarHBondContact O-N 3.02Å; S31-N35 PolarHBondContact O-N 3.43Å; S31-N35 PolarHBondContact O-ND2 3.3Å
32	R	51.9	Low	55.4	Low	190 Å²	190	112.2 Å²	112.2	72%	0.717	56%	0.563	S	S	*	*	H	α-helix	trans	-70	-34.5	173	-77.8	-179.2	167.5	-176.8	-3.6	113.2	V28 I30 Q34 N35	V28-R32 HydrophobicContact CG1-CG 4.44Å; V28-R32 WeakPolarHBondContact O-CB 3.43Å; V28-R32 VanDerWaalsContact O-CG 3.27Å; V28-R32 WeakPolarHBondContact O-CG 3.34Å; V28-R32 PolarHBondContact O-N 3.42Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 3.44Å; R32-Q34 VanDerWaalsContact C-N 3.3Å; R32-N35 PolarHBondContact O-N 3.35Å
33	S	50.8	Low	53.3	Low	79 Å²	79	113.2 Å²	113.2	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-68.8	-28.9	173.5	-177	0	0	0	0	112.7	H29 I30	H29-S33 VanDerWaalsContact O-CB 3.31Å; H29-S33 WeakPolarHBondContact O-CB 3.36Å; H29-S33 PolarHBondContact O-N 3.48Å; I30-S33 CarbonylContact O-C 3.58Å; I30-S33 WeakPolarHBondContact O-CB 3.37Å; I30-S33 PolarHBondContact O-N 3.48Å; I30-S33 VanDerWaalsContact O-N 3.11Å
34	Q	40.5	Very low	51.2	Low	148 Å²	148	114.2 Å²	114.2	69%	0.692	56%	0.563	S	S	*	*	H	α-helix	trans	-84.6	-20.9	177.7	-72.8	-179.3	-12	0	0	113	I30 S31 R32 I36	I30-Q34 HydrophobicContact CG2-CG 4.44Å; I30-Q34 WeakPolarHBondContact O-CB 3.3Å; I30-Q34 WeakPolarHBondContact O-CG 3.48Å; I30-Q34 PolarHBondContact O-N 2.74Å; S31-Q34 PolarHBondContact O-N 3.02Å; R32-Q34 VanDerWaalsContact C-N 3.3Å; Q34-I36 PolarHBondContact O-N 3.01Å
35	N	35.6	Very low	48.6	Very low	117 Å²	117	117 Å²	117	63%	0.626	57%	0.567	S	S	*	*			trans	-76.6	39.8	171.1	-77.6	-54	0	0	0	112.6	S31 R32 P37	S31-N35 PolarHBondContact O-N 3.43Å; S31-N35 PolarHBondContact O-ND2 3.3Å; R32-N35 PolarHBondContact O-N 3.35Å; N35-P37 VanDerWaalsContact O-CD 3.31Å; N35-P37 WeakPolarHBondContact O-CD 3.07Å
36	I	40.4	Very low	46.1	Very low	78 Å²	78	115.2 Å²	115.2	40%	0.4	57%	0.565	S	S	.	*			trans	-67.4	117.6	155.4	-62.9	171.3	0	0	0	104.6	Q34 N38	Q34-I36 PolarHBondContact O-N 3.01Å; I36-N38 PolarHBondContact O-N 2.76Å
37	P	36.4	Very low	43.8	Very low	73 Å²	73	113.1 Å²	113.1	47%	0.474	56%	0.557	S	S	.	*			trans	-55.5	116.4	178.2	-21.6	32	0	0	0	108.5	N35 F39	N35-P37 VanDerWaalsContact O-CD 3.31Å; N35-P37 WeakPolarHBondContact O-CD 3.07Å; P37-F39 PolarHBondContact O-N 3.41Å
38	N	32.2	Very low	41.2	Very low	158 Å²	158	107.8 Å²	107.8	85%	0.845	54%	0.541	S	S	*	.			trans	-66.5	81	166.4	-88	-27.8	0	0	0	107.3	I36 L40	I36-N38 PolarHBondContact O-N 2.76Å; N38-L40 PolarHBondContact O-N 3.06Å
39	F	40.6	Very low	39	Very low	99 Å²	99	111.7 Å²	111.7	43%	0.434	57%	0.565	S	S	.	*			trans	-75.3	80.9	175.4	-171.4	-106.2	0	0	0	108.6	P37 R41	P37-F39 PolarHBondContact O-N 3.41Å; F39-R41 VanDerWaalsContact C-N 3.25Å; F39-R41 HydrophobicContact CD1-CB 4.12Å; F39-R41 HydrophobicContact CE1-CB 3.51Å; F39-R41 HydrophobicContact CE1-CG 3.8Å; F39-R41 HydrophobicContact CZ-CB 3.87Å; F39-R41 HydrophobicContact CZ-CG 3.7Å; F39-R41 PolarHBondContact O-N 3.39Å
40	L	32.8	Very low	37.1	Very low	156 Å²	156	111.9 Å²	111.9	82%	0.817	56%	0.564	S	S	*	*			trans	-80.4	79.2	158.7	-66.5	173.5	0	0	0	107.3	N38 K42	N38-L40 PolarHBondContact O-N 3.06Å; L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.1Å
41	R	38.9	Very low	35.6	Very low	106 Å²	106	110.3 Å²	110.3	40%	0.4	57%	0.568	S	S	.	*			trans	-57.5	111.1	149.9	-135.6	-177.5	-170.2	-177.4	7	103.7	F39 L43 E203 Y345	F39-R41 VanDerWaalsContact C-N 3.25Å; F39-R41 HydrophobicContact CD1-CB 4.12Å; F39-R41 HydrophobicContact CE1-CB 3.51Å; F39-R41 HydrophobicContact CE1-CG 3.8Å; F39-R41 HydrophobicContact CZ-CB 3.87Å; F39-R41 HydrophobicContact CZ-CG 3.7Å; F39-R41 PolarHBondContact O-N 3.39Å; R41-L43 PolarHBondContact O-N 3.18Å; R41-E203 IonicContact NH1-OE1 3.76Å; R41-Y345 VanDerWaalsContact NH1-CE2 3.28Å; R41-Y345 PolarHBondContact NH1-OH 2.99Å; R41-Y345 PolarHBondContact NH2-O 3.39Å
42	K	34.6	Very low	34.1	Very low	194 Å²	194	116.7 Å²	116.7	84%	0.843	60%	0.599	S	S	*	*			trans	-54.9	108.8	172.8	-83.2	-175.9	177	180	0	106.2	L40	L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.1Å
43	L	35	Very low	33.1	Very low	62 Å²	62	114.3 Å²	114.3	33%	0.325	59%	0.594	S	S	.	*			trans	-57.2	134.4	169	-70.4	165.6	0	0	0	106	R41 Y45 R206	R41-L43 PolarHBondContact O-N 3.18Å; L43-Y45 WeakPolarHBondContact CB-O 3.26Å; L43-Y45 PolarHBondContact O-N 3.24Å; L43-R206 HydrophobicContact CD2-CG 3.9Å
44	P	37	Very low	32	Very low	89 Å²	89	117.4 Å²	117.4	58%	0.578	61%	0.609	S	S	*	*	S	Bend	trans	-64.2	2.2	174.6	21.2	-28.9	0	0	0	113.4
45	Y	30.7	Very low	31.9	Very low	166 Å²	166	114.1 Å²	114.1	65%	0.651	60%	0.599	S	S	*	*	S	Bend	trans	-139.3	134.9	179.4	-46	-72.8	0	0	0	110.3	L43	L43-Y45 WeakPolarHBondContact CB-O 3.26Å; L43-Y45 PolarHBondContact O-N 3.24Å
46	N	26.4	Very low	32.3	Very low	110 Å²	110	112.2 Å²	112.2	59%	0.588	60%	0.595	S	S	*	*			trans	-85.3	131.6	167.5	-77	-20.3	0	0	0	109.5
47	V	28	Very low	33	Very low	66 Å²	66	117.7 Å²	117.7	40%	0.4	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	100.7	169.2	-178.7	0	0	0	0	107.6	L99	V47-L99 HydrophobicContact CG1-CD2 4.49Å
48	T	25.1	Very low	34.4	Very low	53 Å²	53	116.2 Å²	116.2	33%	0.325	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	117.8	166.9	24.3	0	0	0	0	109.1	F50 S100	T48-F50 HydrophobicContact CG2-CE2 4.12Å; T48-F50 PolarHBondContact O-N 3.11Å; T48-F50 VanDerWaalsContact O-N 3.12Å; T48-S100 PolarHBondContact OG1-O 3.45Å; T48-S100 PolarHBondContact OG1-OG 3.35Å
49	V	25	Very low	37.1	Very low	141 Å²	141	116.7 Å²	116.7	86%	0.855	60%	0.603	S	S	*	*			trans	-75.5	95.9	170.5	-177	0	0	0	0	107.3
50	F	23.4	Very low	39.5	Very low	146 Å²	146	118.7 Å²	118.7	64%	0.64	61%	0.613	S	S	*	*			trans	-90.9	130.5	169.6	-86	-92.2	0	0	0	110.5	T48 S100	T48-F50 HydrophobicContact CG2-CE2 4.12Å; T48-F50 PolarHBondContact O-N 3.11Å; T48-F50 VanDerWaalsContact O-N 3.12Å; F50-S100 WeakPolarHBondContact CD2-OG 3.44Å; F50-S100 WeakPolarHBondContact CE2-OG 3.47Å
51	G	27	Very low	42.3	Very low	47 Å²	47	111.5 Å²	111.5	49%	0.485	58%	0.576	S	S	.	*			trans	129.4	105.9	164	0	0	0	0	0	112	F53	G51-F53 WeakPolarHBondContact O-CD2 3.06Å; G51-F53 PolarHBondContact O-N 2.03Å
52	N	24.2	Very low	44.7	Very low	173 Å²	173	109.1 Å²	109.1	93%	0.925	57%	0.574	S	S	*	*			trans	-63.7	77.6	151.1	-74.5	-11	0	0	0	106.9	V54	N52-V54 PolarHBondContact O-N 3.03Å
53	F	30.4	Very low	47.2	Very low	139 Å²	139	109.2 Å²	109.2	61%	0.61	57%	0.569	S	S	*	*			trans	-68.9	116	167.3	-75.3	-84.2	0	0	0	105.9	G51 V55	G51-F53 WeakPolarHBondContact O-CD2 3.06Å; G51-F53 PolarHBondContact O-N 2.03Å; F53-V55 HydrophobicContact CB-CG2 4.33Å; F53-V55 PolarHBondContact O-N 2.77Å
54	V	28.6	Very low	49.6	Very low	144 Å²	144	114.1 Å²	114.1	87%	0.873	59%	0.591	S	S	*	*			trans	-62.1	88.6	156.9	-179.4	0	0	0	0	104.8	N52 S56	N52-V54 PolarHBondContact O-N 3.03Å; V54-S56 VanDerWaalsContact C-N 3.29Å; V54-S56 PolarHBondContact O-N 2.8Å
55	V	38.2	Very low	51.8	Low	79 Å²	79	111 Å²	111	48%	0.479	57%	0.569	S	S	.	*			trans	-62.9	101.7	169.2	178.1	0	0	0	0	103.7	F53 Q57	F53-V55 HydrophobicContact CB-CG2 4.33Å; F53-V55 PolarHBondContact O-N 2.77Å; V55-Q57 PolarHBondContact O-N 3Å
56	S	43.9	Very low	54	Low	78 Å²	78	106.3 Å²	106.3	55%	0.545	56%	0.559	S	S	.	*			trans	-42	120.1	153.1	161.4	0	0	0	0	104.9	V54 Q58	V54-S56 VanDerWaalsContact C-N 3.29Å; V54-S56 PolarHBondContact O-N 2.8Å; S56-Q58 PolarHBondContact O-N 2.93Å
57	Q	53.8	Low	56.7	Low	192 Å²	192	108.5 Å²	108.5	90%	0.897	57%	0.565	S	S	*	*			trans	-60.1	80.1	-178.6	-71.7	-173.6	-20.4	0	0	108.5	V55	V55-Q57 PolarHBondContact O-N 3Å
58	Q	66.5	Low	59.6	Low	42 Å²	42	107.5 Å²	107.5	20%	0.196	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-71.8	135.1	170.5	-69.3	-175.4	-65	0	0	105.3	S56 R95 I139	S56-Q58 PolarHBondContact O-N 2.93Å; Q58-R95 VanDerWaalsContact NE2-NH2 3.16Å; Q58-I139 PolarHBondContact NE2-O 2.83Å
59	Q	88.5	Confident	62.7	Low	169 Å²	169	110.5 Å²	110.5	79%	0.79	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-56	141.6	173.5	-174.7	177	-1.6	0	0	109.6	C141 D142	Q59-C141 WeakPolarHBondContact O-CA 3.17Å; Q59-C141 VanDerWaalsContact O-CB 3.32Å; Q59-C141 WeakPolarHBondContact O-CB 3.49Å; Q59-D142 PolarHBondContact O-N 2.99Å
60	E	91.1	Very high	66	Low	140 Å²	140	104 Å²	104	65%	0.654	54%	0.539	S	S	*	.	B	Isolated β-bridge	trans	-54.2	141	172.7	-69.5	-176.4	-179.3	0	0	110.5	D142 T144	E60-D142 CarbonylContact C-O 3.59Å; E60-D142 WeakPolarHBondContact CA-O 3.29Å; E60-T144 HydrophobicContact CB-CG2 4.29Å; E60-T144 HydrophobicContact CG-CG2 4.18Å
61	C	91	Very high	69.4	Low	6 Å²	6	104.5 Å²	104.5	4%	0.041	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-62.6	138.6	174.8	-65.5	0	0	0	0	110.1	R63 C141 D142 P143 L175	C61-R63 PolarHBondContact O-N 2.61Å; C61-C141 WeakPolarHBondContact CA-SG 3.19Å; C61-C141 HydrophobicContact CB-CB 3.9Å; C61-C141 WeakPolarHBondContact CB-SG 3.18Å; C61-C141 WeakPolarHBondContact SG-CB 3.22Å; C61-C141 CovalentContact SG-SG 2.03Å; C61-C141 PolarHBondContact SG-SG 3.46Å; C61-D142 PolarHBondContact N-O 3.12Å; C61-P143 VanDerWaalsContact SG-N 3.43Å; C61-L175 HydrophobicContact CB-CB 4.2Å
62	P	89.5	Confident	72.7	Confident	55 Å²	55	103.7 Å²	103.7	36%	0.357	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-59.2	139.6	175.3	26.8	-35.1	0	0	0	110.4	E64 P66 L175 R230	P62-E64 VanDerWaalsContact C-N 3.32Å; P62-P66 HydrophobicContact CG-CB 4.22Å; P62-P66 HydrophobicContact CG-CG 3.89Å; P62-L175 HydrophobicContact CG-CD1 4.1Å; P62-R230 PolarHBondContact O-NH2 2.93Å
63	R	87.3	Confident	75.9	Confident	196 Å²	196	105 Å²	105	74%	0.74	52%	0.518	S	S	*	.	S	Bend	trans	-67.3	-36.3	178.6	-75.5	-169.9	172.2	-174.7	-2.1	112.1	C61 R230	C61-R63 PolarHBondContact O-N 2.61Å; R63-R230 PolarHBondContact O-NE 3.13Å
64	E	85	Confident	79	Confident	166 Å²	166	99.8 Å²	99.8	78%	0.776	50%	0.496	S	S	*	.	S	Bend	trans	-90.7	150.7	172.8	-63.7	-175.9	177.5	0	0	110.6	P62 P66	P62-E64 VanDerWaalsContact C-N 3.32Å; E64-P66 VanDerWaalsContact O-CD 3.26Å; E64-P66 WeakPolarHBondContact O-CD 3.06Å
65	N	83.5	Confident	81.9	Confident	24 Å²	24	99.4 Å²	99.4	13%	0.128	49%	0.485	C	S	.	.			trans	-66	113.4	175.1	175.6	0	0	0	0	109.3	H67 A68 K173 D225	N65-H67 PolarHBondContact O-N 3.45Å; N65-H67 VanDerWaalsContact O-N 3.16Å; N65-H67 PolarHBondContact OD1-N 3.34Å; N65-A68 HydrophobicContact CB-CB 4.16Å; N65-A68 PolarHBondContact O-N 3Å; N65-A68 PolarHBondContact OD1-N 3.17Å; N65-K173 PolarHBondContact OD1-O 3.05Å; N65-D225 PolarHBondContact ND2-O 2.82Å
66	P	77.3	Confident	84.4	Confident	67 Å²	67	101.4 Å²	101.4	44%	0.435	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.4	-174.4	29.3	-35.3	0	0	0	113	P62 E64 L175	P62-P66 HydrophobicContact CG-CB 4.22Å; P62-P66 HydrophobicContact CG-CG 3.89Å; E64-P66 VanDerWaalsContact O-CD 3.26Å; E64-P66 WeakPolarHBondContact O-CD 3.06Å; P66-L175 HydrophobicContact CG-CD1 4.14Å
67	H	83.8	Confident	86.8	Confident	155 Å²	155	103.9 Å²	103.9	72%	0.718	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	39.4	-178.9	-56.6	-56.2	0	0	0	111.1	N65 I69	N65-H67 PolarHBondContact O-N 3.45Å; N65-H67 VanDerWaalsContact O-N 3.16Å; N65-H67 PolarHBondContact OD1-N 3.34Å; H67-I69 PolarHBondContact O-N 3.48Å
68	A	88.7	Confident	88.8	Confident	45 Å²	45	97.7 Å²	97.7	37%	0.372	48%	0.48	S	S	.	.			trans	-59.3	123.2	177	0	0	0	0	0	111	N65 D225 R226	N65-A68 HydrophobicContact CB-CB 4.16Å; N65-A68 PolarHBondContact O-N 3Å; N65-A68 PolarHBondContact OD1-N 3.17Å; A68-D225 WeakPolarHBondContact CA-OD1 3.3Å; A68-R226 HydrophobicContact CB-CG 3.75Å
69	I	90.7	Very high	90.2	Very high	116 Å²	116	97.1 Å²	97.1	60%	0.595	48%	0.48	S	S	*	.			trans	-82.2	-24.1	173.9	-59.5	173.2	0	0	0	109.9	H67 D225	H67-I69 PolarHBondContact O-N 3.48Å; I69-D225 VanDerWaalsContact N-CG 3.31Å; I69-D225 PolarHBondContact N-OD1 3.35Å; I69-D225 PolarHBondContact N-OD2 2.77Å
70	G	93.6	Very high	90.7	Very high	6 Å²	6	92.8 Å²	92.8	6%	0.062	47%	0.465	C	S	.	.			trans	83.3	-124.3	-166.9	0	0	0	0	0	110.1	L72 D224 D225	G70-L72 PolarHBondContact O-N 2.89Å; G70-D224 VanDerWaalsContact C-CG 3.43Å; G70-D224 VanDerWaalsContact C-OD2 3.31Å; G70-D224 WeakPolarHBondContact CA-OD1 3.44Å; G70-D224 WeakPolarHBondContact O-CA 3.32Å; G70-D225 WeakPolarHBondContact CA-OD1 3.05Å; G70-D225 PolarHBondContact N-OD1 3.27Å; G70-D225 PolarHBondContact O-N 3.34Å; G70-D225 VanDerWaalsContact O-N 3.09Å
71	R	95.2	Very high	91	Very high	156 Å²	156	88.2 Å²	88.2	59%	0.589	44%	0.442	S	S	*	.	B	Isolated β-bridge	trans	-64.5	121.5	-174	-173.4	170.6	-73.4	174.9	-0.5	111.6	E223 D224	R71-E223 CarbonylContact C-O 3.5Å; R71-E223 WeakPolarHBondContact CA-O 3.33Å; R71-D224 PolarHBondContact N-OD2 3.15Å
72	L	95.2	Very high	91.2	Very high	30 Å²	30	94 Å²	94	16%	0.157	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-90.4	141.4	176.1	-56.2	179.1	0	0	0	110.6	G70 F170 E223 D225	G70-L72 PolarHBondContact O-N 2.89Å; L72-F170 HydrophobicContact CD1-CD2 3.79Å; L72-F170 HydrophobicContact CD1-CE2 4.24Å; L72-E223 PolarHBondContact N-O 3.25Å; L72-D225 HydrophobicContact CD1-CB 4.1Å; L72-D225 HydrophobicContact CD2-CB 4.09Å; L72-D225 HydrophobicContact CG-CB 4.28Å
73	K	93.1	Very high	91.5	Very high	199 Å²	199	93.4 Å²	93.4	87%	0.865	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-81.1	121	166	-174.9	178.3	-179.9	-178.8	0	108.7	E75	K73-E75 PolarHBondContact O-N 2.79Å
74	I	93.9	Very high	91.9	Very high	30 Å²	30	84.2 Å²	84.2	15%	0.154	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-75.9	121.1	175.1	-53.7	-57.7	0	0	0	109.2	H166 L221 E223 K308	I74-H166 WeakPolarHBondContact CD1-CE1 3.34Å; I74-L221 HydrophobicContact CD1-CB 4.22Å; I74-L221 HydrophobicContact CG2-CD1 3.65Å; I74-E223 HydrophobicContact CD1-CG 4.15Å; I74-E223 HydrophobicContact CG1-CG 4.07Å; I74-K308 HydrophobicContact CB-CG 4.45Å; I74-K308 HydrophobicContact CG1-CB 3.81Å; I74-K308 HydrophobicContact CG1-CG 4.27Å; I74-K308 HydrophobicContact CG2-CB 4.38Å; I74-K308 HydrophobicContact CG2-CG 4.14Å
75	E	90.9	Very high	92.3	Very high	137 Å²	137	77.4 Å²	77.4	64%	0.64	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-66.2	138.7	173	-66.1	-179.3	-164.5	0	0	109.8	K73 M162	K73-E75 PolarHBondContact O-N 2.79Å; E75-M162 WeakPolarHBondContact O-CE 3.44Å
76	T	89.4	Confident	92.8	Very high	121 Å²	121	83 Å²	83	74%	0.742	43%	0.43	S	S	*	.			trans	-102.5	-13	178.9	54	0	0	0	0	113.1
77	N	94.1	Very high	93.5	Very high	130 Å²	130	85.2 Å²	85.2	70%	0.695	43%	0.433	S	S	*	.	S	Bend	trans	-77.1	131.3	179.7	-68	-19.9	0	0	0	109.9	P79	N77-P79 VanDerWaalsContact O-CD 3.3Å; N77-P79 WeakPolarHBondContact O-CD 3.47Å
78	V	96.3	Very high	93.9	Very high	62 Å²	62	78.6 Å²	78.6	38%	0.376	40%	0.402	S	S	.	.			trans	-80.2	113.3	179.2	-165.2	0	0	0	0	110	I158 R161 M162	V78-I158 HydrophobicContact CG1-CB 4.42Å; V78-I158 HydrophobicContact CG1-CG1 4.5Å; V78-I158 HydrophobicContact CG1-CG2 3.92Å; V78-I158 HydrophobicContact CG2-CG2 3.84Å; V78-R161 HydrophobicContact CG1-CB 4.4Å; V78-M162 VanDerWaalsContact CA-SD 3.53Å; V78-M162 HydrophobicContact CB-SD 4.18Å; V78-M162 HydrophobicContact CG1-CG 4.19Å; V78-M162 HydrophobicContact CG1-SD 4.28Å; V78-M162 HydrophobicContact CG2-CG 4.47Å; V78-M162 HydrophobicContact CG2-SD 4.1Å
79	P	96.7	Very high	93.7	Very high	29 Å²	29	77.1 Å²	77.1	19%	0.188	39%	0.389	C	S	.	.			trans	-69.9	149	-178.4	29.3	-34.2	0	0	0	110.8	N77 L84 R161	N77-P79 VanDerWaalsContact O-CD 3.3Å; N77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-L84 HydrophobicContact CB-CD2 3.95Å; P79-L84 HydrophobicContact CB-CG 4.04Å; P79-L84 HydrophobicContact CG-CD1 4.2Å; P79-L84 HydrophobicContact CG-CD2 3.81Å; P79-L84 HydrophobicContact CG-CG 4.09Å; P79-R161 HydrophobicContact CG-CB 4.24Å; P79-R161 WeakPolarHBondContact CG-O 3.47Å; P79-R161 WeakPolarHBondContact O-CD 3.35Å; P79-R161 PolarHBondContact O-NH1 2.83Å
80	T	98	Very high	92.8	Very high	78 Å²	78	75.4 Å²	75.4	48%	0.479	39%	0.388	S	S	.	.			trans	-78.6	157.4	172.3	63.4	0	0	0	0	110.6	D82 S83 L84	T80-D82 VanDerWaalsContact C-N 3.28Å; T80-D82 PolarHBondContact O-N 3.32Å; T80-S83 PolarHBondContact N-OG 2.79Å; T80-S83 VanDerWaalsContact N-OG 3.08Å; T80-S83 PolarHBondContact O-N 2.72Å; T80-S83 PolarHBondContact O-OG 2.82Å; T80-S83 WeakPolarHBondContact OG1-CB 3.28Å; T80-S83 PolarHBondContact OG1-N 3.22Å; T80-S83 PolarHBondContact OG1-OG 3.36Å; T80-L84 WeakPolarHBondContact O-CG 3.44Å; T80-L84 PolarHBondContact O-N 3.48Å; T80-L84 VanDerWaalsContact O-N 3.11Å
81	W	97.5	Very high	90.8	Very high	44 Å²	44	78.6 Å²	78.6	17%	0.167	41%	0.409	C	S	.	.	H	α-helix	trans	-55.6	-44.1	174.7	-76.2	117.9	0	0	0	112.1	S83 L84 V85 D157 L160 R161 L164 Y354 L357 F358	W81-S83 PolarHBondContact O-N 3.3Å; W81-L84 HydrophobicContact CE3-CD1 4.07Å; W81-L84 HydrophobicContact CZ3-CD1 4.19Å; W81-L84 PolarHBondContact O-N 3.44Å; W81-V85 WeakPolarHBondContact O-CG2 3.49Å; W81-V85 PolarHBondContact O-N 3.22Å; W81-D157 WeakPolarHBondContact CZ2-OD1 3.44Å; W81-D157 PolarHBondContact NE1-OD1 2.88Å; W81-L160 HydrophobicContact CH2-CD2 3.82Å; W81-L160 HydrophobicContact CH2-CG 3.98Å; W81-L160 HydrophobicContact CZ2-CD2 4.24Å; W81-R161 HydrophobicContact CD2-CG 3.91Å; W81-R161 HydrophobicContact CE3-CG 4.16Å; W81-R161 HydrophobicContact CH2-CG 3.86Å; W81-R161 HydrophobicContact CZ2-CG 3.59Å; W81-R161 HydrophobicContact CZ3-CG 4.11Å; W81-L164 HydrophobicContact CH2-CD1 3.82Å; W81-L164 HydrophobicContact CZ3-CD1 3.58Å; W81-Y354 HydrophobicContact CB-CD1 4.36Å; W81-Y354 HydrophobicContact CB-CE1 3.97Å; W81-Y354 HydrophobicContact CD2-CD1 4.32Å; W81-Y354 AromaticContact CD2-CE1 3.76Å; W81-Y354 HydrophobicContact CD2-CE1 3.76Å; W81-Y354 HydrophobicContact CD2-CE2 4.23Å; W81-Y354 AromaticContact CD2-CZ 3.69Å; W81-Y354 AromaticContact CE2-CZ 3.9Å; W81-Y354 HydrophobicContact CE3-CD1 4.07Å; W81-Y354 HydrophobicContact CE3-CD2 4.17Å; W81-Y354 AromaticContact CE3-CE1 3.95Å; W81-Y354 HydrophobicContact CE3-CE1 3.95Å; W81-Y354 HydrophobicContact CE3-CE2 4.05Å; W81-Y354 HydrophobicContact CE3-CG 4.17Å; W81-Y354 AromaticContact CE3-CZ 3.93Å; W81-Y354 HydrophobicContact CG-CD1 4.48Å; W81-Y354 AromaticContact CG-CE1 3.79Å; W81-Y354 HydrophobicContact CG-CE1 3.79Å; W81-Y354 HydrophobicContact CH2-CE2 4.19Å; W81-Y354 HydrophobicContact CZ2-CE2 4.35Å; W81-Y354 HydrophobicContact CZ3-CD2 4.14Å; W81-Y354 HydrophobicContact CZ3-CE2 4.05Å; W81-L357 HydrophobicContact CE3-CD2 4.15Å; W81-L357 HydrophobicContact CZ3-CD2 3.95Å; W81-F358 AromaticContact CH2-CE1 3.81Å; W81-F358 HydrophobicContact CH2-CE1 3.81Å; W81-F358 HydrophobicContact CH2-CZ 4.23Å; W81-F358 HydrophobicContact CZ3-CD1 4.49Å; W81-F358 AromaticContact CZ3-CE1 3.62Å; W81-F358 HydrophobicContact CZ3-CE1 3.62Å; W81-F358 HydrophobicContact CZ3-CZ 4.41Å
82	D	96.2	Very high	88.7	Confident	128 Å²	128	72.7 Å²	72.7	68%	0.684	39%	0.392	S	S	*	.	H	α-helix	trans	-59.7	-44.6	177.6	-61.7	-29.2	0	0	0	112	T80 L84 V85 E86	T80-D82 VanDerWaalsContact C-N 3.28Å; T80-D82 PolarHBondContact O-N 3.32Å; D82-L84 VanDerWaalsContact C-N 3.3Å; D82-L84 PolarHBondContact O-N 3.25Å; D82-V85 PolarHBondContact O-N 3.44Å; D82-E86 WeakPolarHBondContact O-CB 3.44Å; D82-E86 PolarHBondContact O-N 3.2Å
83	S	95.9	Very high	86.2	Confident	43 Å²	43	76 Å²	76	30%	0.301	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-35.7	178.2	72.6	0	0	0	0	112.8	T80 W81 K87	T80-S83 PolarHBondContact N-OG 2.79Å; T80-S83 VanDerWaalsContact N-OG 3.08Å; T80-S83 PolarHBondContact O-N 2.72Å; T80-S83 PolarHBondContact O-OG 2.82Å; T80-S83 WeakPolarHBondContact OG1-CB 3.28Å; T80-S83 PolarHBondContact OG1-N 3.22Å; T80-S83 PolarHBondContact OG1-OG 3.36Å; W81-S83 PolarHBondContact O-N 3.3Å; S83-K87 WeakPolarHBondContact O-CB 3.37Å; S83-K87 PolarHBondContact O-N 3.09Å
84	L	96	Very high	83.9	Confident	3 Å²	3	68.7 Å²	68.7	2%	0.016	38%	0.384	C	S	.	.	H	α-helix	trans	-69.7	-44	176.6	-68.7	173.2	0	0	0	111.3	P79 T80 W81 D82 K87 Y88 R161 L164 G165 L357	P79-L84 HydrophobicContact CB-CD2 3.95Å; P79-L84 HydrophobicContact CB-CG 4.04Å; P79-L84 HydrophobicContact CG-CD1 4.2Å; P79-L84 HydrophobicContact CG-CD2 3.81Å; P79-L84 HydrophobicContact CG-CG 4.09Å; T80-L84 WeakPolarHBondContact O-CG 3.44Å; T80-L84 PolarHBondContact O-N 3.48Å; T80-L84 VanDerWaalsContact O-N 3.11Å; W81-L84 HydrophobicContact CE3-CD1 4.07Å; W81-L84 HydrophobicContact CZ3-CD1 4.19Å; W81-L84 PolarHBondContact O-N 3.44Å; D82-L84 VanDerWaalsContact C-N 3.3Å; D82-L84 PolarHBondContact O-N 3.25Å; L84-K87 PolarHBondContact O-N 3.37Å; L84-Y88 HydrophobicContact CD2-CD2 4.26Å; L84-Y88 HydrophobicContact CD2-CE2 4.14Å; L84-Y88 WeakPolarHBondContact O-CB 3.06Å; L84-Y88 PolarHBondContact O-N 3.22Å; L84-R161 HydrophobicContact CD1-CB 3.93Å; L84-R161 HydrophobicContact CD1-CG 3.98Å; L84-L164 HydrophobicContact CD1-CB 4.37Å; L84-G165 VanDerWaalsContact CD2-CA 3.41Å; L84-L357 HydrophobicContact CB-CD1 4.32Å; L84-L357 HydrophobicContact CB-CD2 3.74Å; L84-L357 HydrophobicContact CD1-CD2 4.35Å
85	V	93.6	Very high	81.1	Confident	22 Å²	22	72.8 Å²	72.8	13%	0.133	40%	0.397	C	S	.	.	I	π-helix	trans	-62.5	-49.5	177.6	170.2	0	0	0	0	110.5	W81 D82 K87 A89 S90 Y354 N355	W81-V85 WeakPolarHBondContact O-CG2 3.49Å; W81-V85 PolarHBondContact O-N 3.22Å; D82-V85 PolarHBondContact O-N 3.44Å; V85-K87 VanDerWaalsContact C-N 3.35Å; V85-K87 PolarHBondContact O-N 3.16Å; V85-A89 HydrophobicContact CG1-CB 4.23Å; V85-A89 CarbonylContact O-C 3.55Å; V85-A89 WeakPolarHBondContact O-CA 2.84Å; V85-A89 WeakPolarHBondContact O-CB 3.44Å; V85-A89 PolarHBondContact O-N 3.43Å; V85-S90 PolarHBondContact O-N 3.31Å; V85-S90 PolarHBondContact O-OG 3.29Å; V85-Y354 HydrophobicContact CG2-CD1 4.17Å; V85-Y354 HydrophobicContact CG2-CG 4.39Å; V85-N355 HydrophobicContact CG1-CB 4.49Å
86	E	92.6	Very high	78.6	Confident	141 Å²	141	72 Å²	72	66%	0.659	39%	0.392	S	S	*	.	I	π-helix	trans	-56.4	-49.5	177.5	-175.8	179.7	-173.2	0	0	111.4	D82	D82-E86 WeakPolarHBondContact O-CB 3.44Å; D82-E86 PolarHBondContact O-N 3.2Å
87	K	92.4	Very high	76.1	Confident	115 Å²	115	71.2 Å²	71.2	50%	0.5	39%	0.387	S	S	.	.	I	π-helix	trans	-69.7	-39.9	-175.6	-170.9	172.1	-178.7	-179.4	0	113.3	S83 L84 V85 S91	S83-K87 WeakPolarHBondContact O-CB 3.37Å; S83-K87 PolarHBondContact O-N 3.09Å; L84-K87 PolarHBondContact O-N 3.37Å; V85-K87 VanDerWaalsContact C-N 3.35Å; V85-K87 PolarHBondContact O-N 3.16Å; K87-S91 PolarHBondContact O-OG 3.38Å
88	Y	91.3	Very high	72.9	Confident	16 Å²	16	71.4 Å²	71.4	6%	0.063	39%	0.386	C	S	.	.	I	π-helix	trans	-117	-26.6	-167.8	-61.8	-61.4	0	0	0	115.3	L84 G165 H168 A169 R172 L357	L84-Y88 HydrophobicContact CD2-CD2 4.26Å; L84-Y88 HydrophobicContact CD2-CE2 4.14Å; L84-Y88 WeakPolarHBondContact O-CB 3.06Å; L84-Y88 PolarHBondContact O-N 3.22Å; Y88-G165 PolarHBondContact OH-O 3.28Å; Y88-H168 HydrophobicContact CD1-CB 3.56Å; Y88-H168 HydrophobicContact CD2-CB 3.98Å; Y88-H168 AromaticContact CD2-CD2 3.89Å; Y88-H168 HydrophobicContact CE1-CB 3.65Å; Y88-H168 HydrophobicContact CE2-CB 4.05Å; Y88-H168 HydrophobicContact CG-CB 3.73Å; Y88-H168 AromaticContact CG-CD2 3.93Å; Y88-A169 WeakPolarHBondContact OH-CB 3.28Å; Y88-R172 PolarHBondContact O-NH2 3.5Å; Y88-L357 HydrophobicContact CD2-CD1 4.31Å; Y88-L357 HydrophobicContact CG-CD1 4.45Å
89	A	85.3	Confident	69.8	Low	13 Å²	13	72.7 Å²	72.7	11%	0.107	39%	0.391	C	S	.	.	I	π-helix	trans	-103.8	-39.1	-175.8	0	0	0	0	0	112.9	V85 N355 L357	V85-A89 HydrophobicContact CG1-CB 4.23Å; V85-A89 CarbonylContact O-C 3.55Å; V85-A89 WeakPolarHBondContact O-CA 2.84Å; V85-A89 WeakPolarHBondContact O-CB 3.44Å; V85-A89 PolarHBondContact O-N 3.43Å; A89-N355 HydrophobicContact CB-CB 3.86Å; A89-L357 HydrophobicContact CB-CB 4.42Å
90	S	71.4	Confident	66.6	Low	81 Å²	81	73 Å²	73	57%	0.566	39%	0.393	S	S	*	.	I	π-helix	trans	-82.5	-24.7	-175.7	-61.1	0	0	0	0	114.4	V85	V85-S90 PolarHBondContact O-N 3.31Å; V85-S90 PolarHBondContact O-OG 3.29Å
91	S	52.1	Low	63.3	Low	72 Å²	72	79 Å²	79	50%	0.503	41%	0.413	S	S	.	.	S	Bend	trans	-98.3	1	-166.9	63.2	0	0	0	0	116.4	K87 P93	K87-S91 PolarHBondContact O-OG 3.38Å; S91-P93 VanDerWaalsContact O-CD 3.29Å; S91-P93 WeakPolarHBondContact O-CD 3.34Å
92	S	51.3	Low	60.2	Low	33 Å²	33	78.3 Å²	78.3	23%	0.231	42%	0.419	C	S	.	.			trans	-94.1	115.8	-169.1	-161.5	0	0	0	0	113.2	Q94	S92-Q94 PolarHBondContact O-N 3.09Å; S92-Q94 VanDerWaalsContact OG-CG 3.31Å; S92-Q94 WeakPolarHBondContact OG-CG 2.96Å
93	P	42.6	Very low	56.8	Low	99 Å²	99	75 Å²	75	64%	0.643	42%	0.415	S	S	*	.			trans	-73.6	73.1	167.9	30.8	-32.9	0	0	0	109.8	S91 I139	S91-P93 VanDerWaalsContact O-CD 3.29Å; S91-P93 WeakPolarHBondContact O-CD 3.34Å; P93-I139 HydrophobicContact CG-CD1 4.46Å; P93-I139 WeakPolarHBondContact O-CG2 3.28Å
94	Q	44.6	Very low	53.3	Low	46 Å²	46	80.9 Å²	80.9	22%	0.215	44%	0.443	C	S	.	.			trans	-77.9	134.2	177.2	-66.3	178.9	-24	0	0	110.8	S92 K96 L135	S92-Q94 PolarHBondContact O-N 3.09Å; S92-Q94 VanDerWaalsContact OG-CG 3.31Å; S92-Q94 WeakPolarHBondContact OG-CG 2.96Å; Q94-K96 WeakPolarHBondContact O-CG 3.33Å; Q94-K96 PolarHBondContact O-N 3.39Å; Q94-L135 PolarHBondContact NE2-O 3.49Å
95	R	35.7	Very low	50	Low	115 Å²	115	91.2 Å²	91.2	43%	0.434	48%	0.484	S	S	.	.			trans	-63.4	114.3	158	-99.4	-170.1	-132	143.1	11.4	107.2	Q58	Q58-R95 VanDerWaalsContact NE2-NH2 3.16Å
96	K	38.8	Very low	46.6	Very low	120 Å²	120	95.2 Å²	95.2	52%	0.522	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-81.1	119.3	-162.5	-57.8	176.3	-175.9	169.6	0	111.1	Q94	Q94-K96 WeakPolarHBondContact O-CG 3.33Å; Q94-K96 PolarHBondContact O-N 3.39Å
97	V	35	Very low	43.5	Very low	105 Å²	105	97.4 Å²	97.4	64%	0.636	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-87.1	120.1	166.6	-179.3	0	0	0	0	107.5
98	I	28.1	Very low	40.8	Very low	134 Å²	134	97.4 Å²	97.4	69%	0.687	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-94.3	124.2	179.2	-60.1	171.7	0	0	0	107.9	S100	I98-S100 PolarHBondContact O-N 3.09Å
99	L	30.7	Very low	37.7	Very low	90 Å²	90	102 Å²	102	47%	0.471	56%	0.562	S	S	.	*			trans	-76.9	105.7	162.8	-71.5	176.8	0	0	0	108.4	V47 V133	V47-L99 HydrophobicContact CG1-CD2 4.49Å; L99-V133 HydrophobicContact CD1-CG1 3.39Å; L99-V133 HydrophobicContact CG-CG1 4.03Å
100	S	28.7	Very low	35.1	Very low	35 Å²	35	106.6 Å²	106.6	25%	0.245	59%	0.585	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.4	134	166.9	46.4	0	0	0	0	110.2	T48 F50 I98 G102	T48-S100 PolarHBondContact OG1-O 3.45Å; T48-S100 PolarHBondContact OG1-OG 3.35Å; F50-S100 WeakPolarHBondContact CD2-OG 3.44Å; F50-S100 WeakPolarHBondContact CE2-OG 3.47Å; I98-S100 PolarHBondContact O-N 3.09Å; S100-G102 PolarHBondContact O-N 2.79Å; S100-G102 VanDerWaalsContact O-N 3.12Å
101	K	29.1	Very low	32.7	Very low	204 Å²	204	110.5 Å²	110.5	89%	0.887	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-54.7	116.5	167.8	-105.7	-179.3	173.3	-179.9	0	109.1
102	G	32.3	Very low	31.4	Very low	29 Å²	29	112.1 Å²	112.1	30%	0.299	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-61.5	138.4	169.6	0	0	0	0	0	111.4	S100	S100-G102 PolarHBondContact O-N 2.79Å; S100-G102 VanDerWaalsContact O-N 3.12Å
103	G	24.3	Very low	30.1	Very low	58 Å²	58	116.8 Å²	116.8	60%	0.598	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-66.7	163	-175.1	0	0	0	0	0	115.2	Y105	G103-Y105 PolarHBondContact O-N 3.37Å
104	N	22.4	Very low	29.1	Very low	167 Å²	167	117.2 Å²	117.2	89%	0.893	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-50.1	120.9	179.9	-66.5	-24.7	0	0	0	112.6
105	Y	27.1	Very low	28.2	Very low	221 Å²	221	121.7 Å²	121.7	87%	0.867	66%	0.659	S	S	*	*			trans	-122	130.1	154.3	-85.1	-84	0	0	0	109.9	G103	G103-Y105 PolarHBondContact O-N 3.37Å
106	S	21.8	Very low	27.7	Very low	106 Å²	106	124 Å²	124	74%	0.741	68%	0.675	S	S	*	*			trans	-75.6	129.1	-172.8	19	0	0	0	0	113
107	Y	27.8	Very low	27	Very low	186 Å²	186	126 Å²	126	73%	0.729	69%	0.691	S	S	*	*			trans	68.5	156.4	149.7	-82.2	-93.6	0	0	0	121.5	L110	Y107-L110 HydrophobicContact CE1-CD1 4.41Å; Y107-L110 HydrophobicContact CE1-CD2 4.13Å; Y107-L110 HydrophobicContact CE1-CG 4.33Å
108	P	35.9	Very low	26.7	Very low	115 Å²	115	129.2 Å²	129.2	75%	0.747	70%	0.699	S	S	*	*	S	Bend	cis	-124.1	153.5	0.6	34.7	-16.6	0	0	0	117.4
109	S	26.5	Very low	26.5	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	71%	0.705	S	S	*	*			trans	83.1	121.4	167.5	-162.9	0	0	0	0	118.8
110	L	29.9	Very low	26.3	Very low	111 Å²	111	131.8 Å²	131.8	58%	0.581	72%	0.722	S	S	*	*			cis	174.1	84.4	-35.8	-97.7	162	0	0	0	104.7	Y107	Y107-L110 HydrophobicContact CE1-CD1 4.41Å; Y107-L110 HydrophobicContact CE1-CD2 4.13Å; Y107-L110 HydrophobicContact CE1-CG 4.33Å
111	N	22.5	Very low	26.2	Very low	162 Å²	162	136.4 Å²	136.4	87%	0.866	74%	0.744	S	S	*	*			trans	-160.6	87.5	155.9	-90.4	-24.9	0	0	0	106.4	V113	N111-V113 PolarHBondContact O-N 3.29Å
112	P	24.3	Very low	26.2	Very low	107 Å²	107	132.5 Å²	132.5	70%	0.695	74%	0.743	S	S	*	*			trans	-69.7	126.4	179.2	16.2	-9.8	0	0	0	109.1	V114	P112-V114 PolarHBondContact O-N 2.84Å
113	V	24.7	Very low	25.9	Very low	131 Å²	131	138.6 Å²	138.6	79%	0.794	76%	0.763	S	S	*	*			trans	-57.6	109.5	157.1	173.4	0	0	0	0	106.2	N111 I115	N111-V113 PolarHBondContact O-N 3.29Å; V113-I115 HydrophobicContact CG1-CG1 4.36Å; V113-I115 PolarHBondContact O-N 3.49Å
114	V	21.6	Very low	25.9	Very low	108 Å²	108	142.3 Å²	142.3	66%	0.655	77%	0.769	S	S	*	*			trans	-62.4	112.3	176.2	178.3	0	0	0	0	107.7	P112	P112-V114 PolarHBondContact O-N 2.84Å
115	I	25.6	Very low	26.2	Very low	140 Å²	140	143 Å²	143	72%	0.718	76%	0.761	S	S	*	*			trans	-116.3	115	160.4	-58.9	-179.3	0	0	0	105.1	V113 N117	V113-I115 HydrophobicContact CG1-CG1 4.36Å; V113-I115 PolarHBondContact O-N 3.49Å; I115-N117 PolarHBondContact O-N 2.77Å
116	H	24	Very low	26.2	Very low	163 Å²	163	137.6 Å²	137.6	76%	0.755	75%	0.75	S	S	*	*			trans	-58.8	131.2	-178.3	-78.6	-89.3	0	0	0	110.8	E118	H116-E118 PolarHBondContact O-N 2.86Å
117	N	24.7	Very low	27.2	Very low	161 Å²	161	138.3 Å²	138.3	86%	0.861	75%	0.746	S	S	*	*			trans	-65	111.8	168.1	-71.8	-27.3	0	0	0	109.2	I115	I115-N117 PolarHBondContact O-N 2.77Å
118	E	28.3	Very low	27.7	Very low	173 Å²	173	133.4 Å²	133.4	81%	0.808	74%	0.739	S	S	*	*			trans	-130.2	128.8	144.9	-71.9	-170.8	174	0	0	108.2	H116 I120	H116-E118 PolarHBondContact O-N 2.86Å; E118-I120 PolarHBondContact O-N 2.84Å
119	S	25.3	Very low	27.6	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	74%	0.735	S	S	*	*			trans	-51.9	95.2	179	48.3	0	0	0	0	111.7	N121	S119-N121 PolarHBondContact O-N 2.87Å
120	I	26.6	Very low	28.1	Very low	162 Å²	162	134 Å²	134	83%	0.831	72%	0.721	S	S	*	*			trans	-92.6	101.6	170	-61.7	173.9	0	0	0	107.5	E118	E118-I120 PolarHBondContact O-N 2.84Å
121	N	24.8	Very low	28.8	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	72%	0.722	S	S	*	*			trans	-45	138.7	168.4	-81.6	-38	0	0	0	110.6	S119 H123	S119-N121 PolarHBondContact O-N 2.87Å; N121-H123 PolarHBondContact O-N 3.27Å
122	S	29.8	Very low	30.4	Very low	122 Å²	122	132.4 Å²	132.4	85%	0.853	70%	0.699	S	S	*	*	S	Bend	trans	-69.1	36.8	-178.3	49.8	0	0	0	0	114.6
123	H	25.5	Very low	32.7	Very low	156 Å²	156	128.5 Å²	128.5	72%	0.722	67%	0.674	S	S	*	*			trans	-105.8	121.1	169.2	-76.5	-65.8	0	0	0	109.3	N121	N121-H123 PolarHBondContact O-N 3.27Å
124	N	24.9	Very low	35.4	Very low	136 Å²	136	122.7 Å²	122.7	73%	0.727	64%	0.64	S	S	*	*			trans	73.3	71.2	172.5	-57.9	-13.8	0	0	0	116.7	T126	N124-T126 PolarHBondContact O-N 2.97Å
125	Y	28.7	Very low	38.7	Very low	183 Å²	183	119 Å²	119	72%	0.718	62%	0.617	S	S	*	*			trans	-87	62.3	139.2	-156.2	-101.5	0	0	0	109.2	S128	Y125-S128 PolarHBondContact OH-O 2.88Å
126	T	26.8	Very low	41.8	Very low	106 Å²	106	113.6 Å²	113.6	65%	0.65	59%	0.587	S	S	*	*			trans	-92.7	111.4	160.8	27.2	0	0	0	0	107.7	N124	N124-T126 PolarHBondContact O-N 2.97Å
127	D	43	Very low	45	Very low	122 Å²	122	108 Å²	108	65%	0.652	56%	0.56	S	S	*	*	S	Bend	trans	83.7	37.3	145.8	-145	32.3	0	0	0	123.2	K130	D127-K130 IonicContact OD1-NZ 3.6Å; D127-K130 PolarHBondContact OD1-NZ 3.16Å
128	S	38.5	Very low	48	Very low	82 Å²	82	100.5 Å²	100.5	57%	0.573	52%	0.52	S	S	*	.	S	Bend	trans	-154.2	70.3	165	53	0	0	0	0	115.7	Y125	Y125-S128 PolarHBondContact OH-O 2.88Å
129	L	33.3	Very low	50.7	Low	126 Å²	126	96.2 Å²	96.2	66%	0.66	50%	0.501	S	S	*	.			trans	165.4	70.6	138.7	-107.3	88.5	0	0	0	109.1	K131	L129-K131 PolarHBondContact O-N 2.89Å
130	K	37.8	Very low	53.6	Low	113 Å²	113	95.9 Å²	95.9	49%	0.491	49%	0.494	S	S	.	.			trans	-66.7	75.5	160.5	-66.6	158.5	-176.5	148.7	0	107.3	D127 Y132	D127-K130 IonicContact OD1-NZ 3.6Å; D127-K130 PolarHBondContact OD1-NZ 3.16Å; K130-Y132 VanDerWaalsContact C-N 3.34Å; K130-Y132 HydrophobicContact CB-CE2 4.28Å; K130-Y132 WeakPolarHBondContact O-CD2 3.31Å; K130-Y132 WeakPolarHBondContact O-CE2 3.38Å; K130-Y132 PolarHBondContact O-N 2.83Å
131	K	43.7	Very low	56.6	Low	140 Å²	140	88.6 Å²	88.6	61%	0.609	46%	0.458	S	S	*	.			trans	-75.1	88.2	-174.4	-158.7	173.1	-173.9	177	0	109.1	L129 V133 P352	L129-K131 PolarHBondContact O-N 2.89Å; K131-V133 PolarHBondContact O-N 2.91Å; K131-V133 VanDerWaalsContact O-N 3.15Å; K131-P352 HydrophobicContact CG-CG 4.17Å
132	Y	56.3	Low	59.7	Low	100 Å²	100	85.5 Å²	85.5	39%	0.392	44%	0.441	S	S	.	.			trans	-49.7	115.9	174.2	-65.8	-92.6	0	0	0	109.5	K130 G134 P352	K130-Y132 VanDerWaalsContact C-N 3.34Å; K130-Y132 HydrophobicContact CB-CE2 4.28Å; K130-Y132 WeakPolarHBondContact O-CD2 3.31Å; K130-Y132 WeakPolarHBondContact O-CE2 3.38Å; K130-Y132 PolarHBondContact O-N 2.83Å; Y132-G134 PolarHBondContact O-N 2.81Å; Y132-P352 WeakPolarHBondContact O-CB 3.21Å; Y132-P352 WeakPolarHBondContact O-CG 3.19Å
133	V	72.3	Confident	62.5	Low	26 Å²	26	80.3 Å²	80.3	16%	0.158	41%	0.405	C	S	.	.			trans	-82.5	5.4	-179.1	-64.9	0	0	0	0	113.4	L99 K131 L135 V207 Y359	L99-V133 HydrophobicContact CD1-CG1 3.39Å; L99-V133 HydrophobicContact CG-CG1 4.03Å; K131-V133 PolarHBondContact O-N 2.91Å; K131-V133 VanDerWaalsContact O-N 3.15Å; V133-L135 VanDerWaalsContact C-N 3.28Å; V133-L135 HydrophobicContact CG2-CB 3.79Å; V133-L135 PolarHBondContact O-N 3.33Å; V133-V207 HydrophobicContact CB-CG1 4.05Å; V133-V207 HydrophobicContact CG2-CG1 3.85Å; V133-Y359 WeakPolarHBondContact O-CD2 3.47Å
134	G	82.6	Confident	65.5	Low	9 Å²	9	76.1 Å²	76.1	9%	0.093	39%	0.39	C	S	.	.	S	Bend	trans	76.6	10	-174.8	0	0	0	0	0	115.3	Y132 W136 T179 G356	Y132-G134 PolarHBondContact O-N 2.81Å; G134-W136 PolarHBondContact O-N 3.07Å; G134-T179 PolarHBondContact O-OG1 3.24Å; G134-G356 VanDerWaalsContact CA-O 3.28Å; G134-G356 WeakPolarHBondContact CA-O 3.39Å
135	L	89.9	Confident	68.7	Low	31 Å²	31	70.8 Å²	70.8	16%	0.162	36%	0.361	C	S	.	.			trans	-82.2	112	174.6	-171	70.5	0	0	0	110.2	Q94 V133 T177 T179 V207 T208 F210	Q94-L135 PolarHBondContact NE2-O 3.49Å; V133-L135 VanDerWaalsContact C-N 3.28Å; V133-L135 HydrophobicContact CG2-CB 3.79Å; V133-L135 PolarHBondContact O-N 3.33Å; L135-T177 HydrophobicContact CD1-CG2 3.57Å; L135-T177 HydrophobicContact CD2-CG2 4.35Å; L135-T177 HydrophobicContact CG-CG2 3.98Å; L135-T179 WeakPolarHBondContact CA-OG1 3.19Å; L135-T179 WeakPolarHBondContact CD1-OG1 3.44Å; L135-V207 HydrophobicContact CB-CG1 4.24Å; L135-T208 HydrophobicContact CD1-CG2 4.18Å; L135-T208 HydrophobicContact CD2-CG2 4.47Å; L135-F210 HydrophobicContact CD1-CE1 4.18Å; L135-F210 HydrophobicContact CD1-CZ 4.45Å
136	W	91.7	Very high	71.8	Confident	25 Å²	25	64.1 Å²	64.1	10%	0.095	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-98.1	143.3	171.3	-174.8	91.6	0	0	0	110.7	G134 P138 R172 L176 T177 Y178	G134-W136 PolarHBondContact O-N 3.07Å; W136-P138 HydrophobicContact CH2-CB 4.01Å; W136-P138 HydrophobicContact CZ3-CB 4.45Å; W136-R172 VanDerWaalsContact CD1-CZ 3.43Å; W136-R172 HydrophobicContact CD2-CG 3.77Å; W136-R172 HydrophobicContact CE3-CG 3.93Å; W136-R172 HydrophobicContact CG-CG 4.49Å; W136-R172 HydrophobicContact CH2-CB 3.73Å; W136-R172 HydrophobicContact CH2-CG 3.68Å; W136-R172 HydrophobicContact CZ2-CB 3.88Å; W136-R172 HydrophobicContact CZ2-CG 3.53Å; W136-R172 HydrophobicContact CZ3-CB 4.15Å; W136-R172 HydrophobicContact CZ3-CG 3.87Å; W136-L176 WeakPolarHBondContact CZ3-O 3.21Å; W136-T177 CarbonylContact O-C 3.51Å; W136-T177 VanDerWaalsContact O-CA 3.23Å; W136-T177 WeakPolarHBondContact O-CA 3.32Å; W136-Y178 HydrophobicContact CB-CD1 4.45Å; W136-Y178 HydrophobicContact CB-CE1 4Å; W136-Y178 HydrophobicContact CB-CE2 4.43Å; W136-Y178 AromaticContact CD2-CE1 3.85Å; W136-Y178 HydrophobicContact CD2-CE1 3.85Å; W136-Y178 AromaticContact CE3-CD1 3.73Å; W136-Y178 HydrophobicContact CE3-CD1 3.73Å; W136-Y178 AromaticContact CE3-CE1 3.32Å; W136-Y178 HydrophobicContact CE3-CE1 3.32Å; W136-Y178 HydrophobicContact CG-CE1 4.14Å; W136-Y178 HydrophobicContact CZ3-CD1 4.44Å; W136-Y178 HydrophobicContact CZ3-CE1 4.06Å; W136-Y178 PolarHBondContact N-O 3.1Å; W136-Y178 PolarHBondContact O-N 2.89Å
137	R	90.1	Very high	75.2	Confident	46 Å²	46	59.1 Å²	59.1	17%	0.174	31%	0.307	C	S	.	.			trans	-146.3	147.5	172	71	-174	-153.8	89.9	-9.6	110.5	T177	R137-T177 HydrophobicContact CB-CG2 4.19Å; R137-T177 WeakPolarHBondContact CB-OG1 3.4Å
138	P	89.1	Confident	77.8	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.026	28%	0.276	C	S	.	.			trans	-65.1	154.9	171.4	30.5	-36.6	0	0	0	111.3	W136 V140 P143 L175	W136-P138 HydrophobicContact CH2-CB 4.01Å; W136-P138 HydrophobicContact CZ3-CB 4.45Å; P138-V140 HydrophobicContact CB-CG2 4.41Å; P138-P143 VanDerWaalsContact CD-CG 3.47Å; P138-P143 HydrophobicContact CG-CG 3.46Å; P138-P143 VanDerWaalsContact CG-CG 3.46Å; P138-L175 HydrophobicContact CB-CB 4.4Å; P138-L175 HydrophobicContact CB-CD2 3.95Å; P138-L175 HydrophobicContact CG-CB 4.19Å
139	I	84.8	Confident	80.7	Confident	82 Å²	82	49.4 Å²	49.4	42%	0.421	25%	0.248	S	C	.	.	S	Bend	trans	-99.7	-15	176.1	62	173.4	0	0	0	113.2	Q58 P93	Q58-I139 PolarHBondContact NE2-O 2.83Å; P93-I139 HydrophobicContact CG-CD1 4.46Å; P93-I139 WeakPolarHBondContact O-CG2 3.28Å
140	V	85.4	Confident	83.8	Confident	109 Å²	109	43.4 Å²	43.4	66%	0.661	22%	0.217	S	C	*	.	S	Bend	trans	-89.8	-18.4	-169.7	-64	0	0	0	0	113.8	P138 L175	P138-V140 HydrophobicContact CB-CG2 4.41Å; V140-L175 HydrophobicContact CG2-CD2 4.19Å
141	C	89.4	Confident	86.8	Confident	9 Å²	9	38 Å²	38	6%	0.061	19%	0.193	C	C	.	.	S	Bend	trans	-153.3	169.9	-178.1	58.5	0	0	0	0	109.4	Q59 C61	Q59-C141 WeakPolarHBondContact O-CA 3.17Å; Q59-C141 VanDerWaalsContact O-CB 3.32Å; Q59-C141 WeakPolarHBondContact O-CB 3.49Å; C61-C141 WeakPolarHBondContact CA-SG 3.19Å; C61-C141 HydrophobicContact CB-CB 3.9Å; C61-C141 WeakPolarHBondContact CB-SG 3.18Å; C61-C141 WeakPolarHBondContact SG-CB 3.22Å; C61-C141 CovalentContact SG-SG 2.03Å; C61-C141 PolarHBondContact SG-SG 3.46Å
142	D	89.3	Confident	89.4	Confident	68 Å²	68	31.6 Å²	31.6	36%	0.364	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-101.9	114.8	176.5	-159.2	28.3	0	0	0	111.8	Q59 E60 C61	Q59-D142 PolarHBondContact O-N 2.99Å; E60-D142 CarbonylContact C-O 3.59Å; E60-D142 WeakPolarHBondContact CA-O 3.29Å; C61-D142 PolarHBondContact N-O 3.12Å
143	P	89.7	Confident	91.4	Very high	14 Å²	14	27.8 Å²	27.8	9%	0.091	15%	0.151	C	C	.	.			trans	-70.5	139.3	177.5	-20.5	34.4	0	0	0	112.1	C61 P138 T177	C61-P143 VanDerWaalsContact SG-N 3.43Å; P138-P143 VanDerWaalsContact CD-CG 3.47Å; P138-P143 HydrophobicContact CG-CG 3.46Å; P138-P143 VanDerWaalsContact CG-CG 3.46Å; P143-T177 VanDerWaalsContact CG-OG1 3.32Å; P143-T177 WeakPolarHBondContact CG-OG1 3.5Å
144	T	88.5	Confident	92.6	Very high	67 Å²	67	27.5 Å²	27.5	41%	0.411	15%	0.147	S	C	.	.	S	Bend	trans	-85.2	-6.2	-177.6	61	0	0	0	0	114.6	E60	E60-T144 HydrophobicContact CB-CG2 4.29Å; E60-T144 HydrophobicContact CG-CG2 4.18Å
145	E	91.4	Very high	93.2	Very high	24 Å²	24	32.9 Å²	32.9	11%	0.112	17%	0.174	C	C	.	.			trans	-147.8	147.9	-178.8	74.2	-167.7	136.4	0	0	111.6	D211 R230 C231	E145-D211 HydrophobicContact CB-CB 4.26Å; E145-R230 WeakPolarHBondContact OE1-CB 3.41Å; E145-R230 VanDerWaalsContact OE1-CD 3.25Å; E145-R230 WeakPolarHBondContact OE1-CD 3.47Å; E145-R230 WeakPolarHBondContact OE1-CG 3.4Å; E145-R230 IonicContact OE1-CZ 2.83Å; E145-R230 IonicContact OE1-NE 3.41Å; E145-R230 IonicContact OE1-NH1 2.69Å; E145-R230 PolarHBondContact OE1-NH1 3.12Å; E145-C231 PolarHBondContact OE2-N 3.27Å
146	N	94.9	Very high	93.4	Very high	44 Å²	44	32.8 Å²	32.8	24%	0.235	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.9	172.6	-63.5	-48.8	0	0	0	110.4	T177 N209 F210 D211 C212	N146-T177 WeakPolarHBondContact OD1-CB 3.42Å; N146-T177 WeakPolarHBondContact OD1-CG2 3.35Å; N146-N209 PolarHBondContact ND2-O 2.82Å; N146-F210 HydrophobicContact CB-CD1 3.92Å; N146-D211 PolarHBondContact N-OD2 3.34Å; N146-D211 PolarHBondContact O-N 3.01Å; N146-C212 PolarHBondContact O-N 3.38Å
147	L	97.7	Very high	93.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.7	-175.7	-167.4	71.4	0	0	0	113.2	V149 L171 L176 T177 Y178 T179 F210 C212 I214	L147-V149 HydrophobicContact CD2-CG2 3.81Å; L147-V149 HydrophobicContact CG-CG2 4.15Å; L147-L171 HydrophobicContact CD2-CD2 4.15Å; L147-L176 HydrophobicContact CD2-CD1 4.07Å; L147-T177 WeakPolarHBondContact CB-O 3.25Å; L147-T177 PolarHBondContact N-O 3.22Å; L147-Y178 CarbonylContact O-C 3.59Å; L147-Y178 WeakPolarHBondContact O-CA 3.02Å; L147-T179 PolarHBondContact O-N 3.16Å; L147-F210 WeakPolarHBondContact O-CD1 3.49Å; L147-F210 VanDerWaalsContact O-CE1 3.22Å; L147-F210 WeakPolarHBondContact O-CE1 3.24Å; L147-C212 WeakPolarHBondContact CA-O 3.46Å; L147-C212 HydrophobicContact CD1-CB 3.51Å; L147-C212 WeakPolarHBondContact CD1-SG 3.45Å; L147-I214 HydrophobicContact CD1-CD1 3.75Å; L147-I214 HydrophobicContact CD1-CG1 3.44Å; L147-I214 VanDerWaalsContact CD1-CG1 3.44Å; L147-I214 HydrophobicContact CD2-CG1 3.92Å; L147-I214 HydrophobicContact CG-CG1 3.87Å
148	A	98.5	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.8	165.4	0	0	0	0	0	109.8	I150 F181 F210 C212 F213 I214	A148-I150 HydrophobicContact CB-CG1 4.46Å; A148-F181 HydrophobicContact CB-CD2 4.06Å; A148-F181 HydrophobicContact CB-CE2 3.88Å; A148-F210 HydrophobicContact CB-CB 4.02Å; A148-F210 HydrophobicContact CB-CD1 3.81Å; A148-F210 HydrophobicContact CB-CD2 3.91Å; A148-F210 HydrophobicContact CB-CE1 4.21Å; A148-F210 HydrophobicContact CB-CE2 4.3Å; A148-F210 HydrophobicContact CB-CG 3.64Å; A148-F210 HydrophobicContact CB-CZ 4.44Å; A148-C212 PolarHBondContact N-O 2.57Å; A148-F213 HydrophobicContact CB-CD1 3.74Å; A148-F213 HydrophobicContact CB-CE1 3.93Å; A148-F213 WeakPolarHBondContact O-CA 3.25Å; A148-I214 PolarHBondContact O-N 2.81Å
149	V	98.8	Very high	94.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	106.3	171.9	-176.3	0	0	0	0	108.3	L147 V151 F163 L171 T179 I180 F181 I214 H216	L147-V149 HydrophobicContact CD2-CG2 3.81Å; L147-V149 HydrophobicContact CG-CG2 4.15Å; V149-V151 HydrophobicContact CG1-CG2 4.23Å; V149-F163 HydrophobicContact CG1-CZ 4.31Å; V149-L171 HydrophobicContact CG2-CD1 3.95Å; V149-T179 PolarHBondContact N-O 2.96Å; V149-I180 HydrophobicContact CB-CG1 4.22Å; V149-I180 CarbonylContact O-C 3.53Å; V149-I180 WeakPolarHBondContact O-CA 3.48Å; V149-F181 PolarHBondContact O-N 3.12Å; V149-I214 CarbonylContact C-O 3.58Å; V149-I214 WeakPolarHBondContact CA-O 3.44Å; V149-I214 HydrophobicContact CG1-CB 4.47Å; V149-I214 HydrophobicContact CG2-CB 4.27Å; V149-I214 HydrophobicContact CG2-CG1 4.35Å; V149-H216 HydrophobicContact CG1-CB 4.43Å
150	I	98.9	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.5	-174.3	-64.8	161.5	0	0	0	109.5	A148 F181 I183 L197 G200 F201 F213 I214 F215 H216	A148-I150 HydrophobicContact CB-CG1 4.46Å; I150-F181 HydrophobicContact CG1-CB 4.38Å; I150-I183 HydrophobicContact CG2-CG1 3.9Å; I150-L197 HydrophobicContact CG2-CD2 4.01Å; I150-G200 VanDerWaalsContact CD1-C 3.4Å; I150-F201 HydrophobicContact CD1-CB 4.3Å; I150-F213 HydrophobicContact CD1-CD1 3.77Å; I150-F213 HydrophobicContact CD1-CE1 4.48Å; I150-I214 PolarHBondContact N-O 3.46Å; I150-F215 HydrophobicContact CB-CD1 4.08Å; I150-F215 HydrophobicContact CB-CE1 4.45Å; I150-F215 HydrophobicContact CD1-CD1 4.06Å; I150-F215 HydrophobicContact CD1-CE1 3.58Å; I150-F215 HydrophobicContact CD1-CZ 4.29Å; I150-F215 HydrophobicContact CG2-CD1 4.24Å; I150-H216 PolarHBondContact O-N 3.08Å
151	V	98.9	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	114.5	-175.2	-173.4	0	0	0	0	109.3	V149 F163 I180 F181 I182 I183 H216 V218	V149-V151 HydrophobicContact CG1-CG2 4.23Å; V151-F163 HydrophobicContact CG2-CE1 3.57Å; V151-F163 HydrophobicContact CG2-CZ 3.56Å; V151-I180 HydrophobicContact CG2-CG2 4.25Å; V151-F181 PolarHBondContact N-O 3.32Å; V151-I182 HydrophobicContact CB-CD1 3.77Å; V151-I182 HydrophobicContact CG1-CD1 4.26Å; V151-I182 HydrophobicContact CG2-CD1 4.06Å; V151-I183 PolarHBondContact O-N 3.47Å; V151-H216 WeakPolarHBondContact CA-O 3.18Å; V151-H216 HydrophobicContact CG2-CB 4.45Å; V151-V218 HydrophobicContact CG1-CB 3.61Å; V151-V218 HydrophobicContact CG1-CG2 4Å
152	P	98.7	Very high	96.1	Very high	6 Å²	6	30.5 Å²	30.5	4%	0.039	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.4	174.2	33	-27.7	0	0	0	108.5	F191 R193 L196 L197 H216	P152-F191 HydrophobicContact CB-CE1 4.45Å; P152-F191 HydrophobicContact CB-CZ 3.93Å; P152-R193 HydrophobicContact CB-CG 4.19Å; P152-R193 HydrophobicContact CG-CG 3.72Å; P152-L196 HydrophobicContact CB-CB 3.73Å; P152-L196 HydrophobicContact CB-CD1 3.87Å; P152-L196 HydrophobicContact CB-CG 4.49Å; P152-L197 HydrophobicContact CB-CD2 4.19Å; P152-L197 HydrophobicContact CB-CG 4.47Å; P152-L197 HydrophobicContact CG-CD2 3.69Å; P152-L197 HydrophobicContact CG-CG 4.19Å; P152-H216 WeakPolarHBondContact CD-O 3.3Å
153	Y	98.4	Very high	96.6	Very high	19 Å²	19	27.2 Å²	27.2	8%	0.075	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.3	-168	178.1	-93.9	0	0	0	112.6	R156 D157 L160 I182 I183 N184 Q185 W360	Y153-R156 HydrophobicContact CD2-CB 4.19Å; Y153-R156 HydrophobicContact CE2-CB 3.75Å; Y153-R156 PolarHBondContact OH-N 3.41Å; Y153-D157 WeakPolarHBondContact OH-CA 3.34Å; Y153-D157 PolarHBondContact OH-N 2.68Å; Y153-D157 VanDerWaalsContact OH-N 3.16Å; Y153-L160 HydrophobicContact CD2-CB 4.22Å; Y153-L160 HydrophobicContact CD2-CD2 4.14Å; Y153-L160 HydrophobicContact CE2-CB 3.68Å; Y153-L160 HydrophobicContact CE2-CD2 3.73Å; Y153-L160 HydrophobicContact CE2-CG 4.25Å; Y153-I182 HydrophobicContact CD1-CG2 4.06Å; Y153-I182 HydrophobicContact CD2-CG2 4.27Å; Y153-I182 HydrophobicContact CG-CG2 3.68Å; Y153-I183 PolarHBondContact N-O 3.04Å; Y153-N184 HydrophobicContact CD1-CB 4.13Å; Y153-N184 WeakPolarHBondContact CD1-OD1 3.41Å; Y153-N184 VanDerWaalsContact O-CA 3.29Å; Y153-N184 WeakPolarHBondContact O-CA 3.4Å; Y153-Q185 PolarHBondContact O-N 2.68Å; Y153-W360 AromaticContact CD1-CH2 3.79Å; Y153-W360 HydrophobicContact CD1-CH2 3.79Å; Y153-W360 AromaticContact CD1-CZ3 3.79Å; Y153-W360 HydrophobicContact CD1-CZ3 3.79Å; Y153-W360 AromaticContact CE1-CH2 3.7Å; Y153-W360 HydrophobicContact CE1-CH2 3.7Å; Y153-W360 AromaticContact CE1-CZ3 3.89Å; Y153-W360 HydrophobicContact CE1-CZ3 3.89Å
154	R	97.1	Very high	97	Very high	20 Å²	20	26.6 Å²	26.6	8%	0.075	13%	0.134	C	C	.	.	S	Bend	trans	-163.9	125.3	161.4	-175.8	176.3	61.8	-179.5	-3.1	110.1	R156 Q185 T189 F191 D317	R154-R156 VanDerWaalsContact C-N 3.28Å; R154-R156 WeakPolarHBondContact O-CG 3.32Å; R154-R156 PolarHBondContact O-N 2.8Å; R154-Q185 WeakPolarHBondContact CD-O 3.44Å; R154-T189 PolarHBondContact NH1-O 2.85Å; R154-F191 HydrophobicContact CB-CD2 4.1Å; R154-F191 HydrophobicContact CB-CE2 3.88Å; R154-D317 VanDerWaalsContact CZ-CB 3.47Å; R154-D317 VanDerWaalsContact NH2-C 3.25Å; R154-D317 PolarHBondContact NH2-O 3.04Å
155	N	95.2	Very high	97.4	Very high	123 Å²	123	24 Å²	24	66%	0.658	12%	0.122	S	C	*	.	S	Bend	trans	53.2	37	171.2	-58.5	-23.9	0	0	0	115.2
156	R	95.9	Very high	97.7	Very high	29 Å²	29	24.2 Å²	24.2	11%	0.109	12%	0.123	C	C	.	.			trans	-122.2	44.7	-178.6	-70.3	-54.9	-163.5	95.3	13.1	112.4	Y153 R154 I158 H159 L160 V218 H312 D315	Y153-R156 HydrophobicContact CD2-CB 4.19Å; Y153-R156 HydrophobicContact CE2-CB 3.75Å; Y153-R156 PolarHBondContact OH-N 3.41Å; R154-R156 VanDerWaalsContact C-N 3.28Å; R154-R156 WeakPolarHBondContact O-CG 3.32Å; R154-R156 PolarHBondContact O-N 2.8Å; R156-I158 VanDerWaalsContact C-N 3.34Å; R156-I158 PolarHBondContact O-N 3.46Å; R156-H159 HydrophobicContact CB-CB 4.1Å; R156-H159 PolarHBondContact NH1-CE1 2.77Å; R156-H159 PolarHBondContact NH1-NE2 2.89Å; R156-H159 PolarHBondContact O-N 3.24Å; R156-H159 VanDerWaalsContact O-N 3.09Å; R156-L160 WeakPolarHBondContact O-CB 3.19Å; R156-L160 PolarHBondContact O-N 3.37Å; R156-V218 HydrophobicContact CB-CG1 4.19Å; R156-V218 HydrophobicContact CG-CG1 4.41Å; R156-H312 VanDerWaalsContact NH1-CB 3.34Å; R156-H312 PolarHBondContact NH1-CD2 3.04Å; R156-H312 PolarHBondContact NH2-CE1 2.87Å; R156-H312 VanDerWaalsContact NH2-CG 3.33Å; R156-H312 PolarHBondContact NH2-ND1 2.97Å; R156-H312 PolarHBondContact NH2-NE2 2.89Å; R156-D315 IonicContact CZ-OD1 2.68Å; R156-D315 VanDerWaalsContact CZ-OD1 3.25Å; R156-D315 IonicContact CZ-OD2 2.75Å; R156-D315 IonicContact NE-OD1 3.73Å; R156-D315 PolarHBondContact NE-OD1 3.02Å; R156-D315 IonicContact NE-OD2 3.58Å; R156-D315 IonicContact NH2-OD1 3.9Å; R156-D315 PolarHBondContact NH2-OD1 3.23Å; R156-D315 IonicContact NH2-OD2 2.74Å; R156-D315 PolarHBondContact NH2-OD2 3.3Å
157	D	96.9	Very high	97.8	Very high	61 Å²	61	22.1 Å²	22.1	33%	0.326	11%	0.111	S	C	.	.	H	α-helix	trans	-53.4	-45.9	-172.6	170.9	84.5	0	0	0	113.1	W81 Y153 H159 L160 R161	W81-D157 WeakPolarHBondContact CZ2-OD1 3.44Å; W81-D157 PolarHBondContact NE1-OD1 2.88Å; Y153-D157 WeakPolarHBondContact OH-CA 3.34Å; Y153-D157 PolarHBondContact OH-N 2.68Å; Y153-D157 VanDerWaalsContact OH-N 3.16Å; D157-H159 PolarHBondContact O-N 2.99Å; D157-L160 PolarHBondContact O-N 3.13Å; D157-R161 WeakPolarHBondContact O-CG 3.35Å; D157-R161 PolarHBondContact O-N 2.8Å; D157-R161 IonicContact OD1-NE 2.8Å; D157-R161 IonicContact OD2-CZ 2.71Å; D157-R161 IonicContact OD2-NE 2.77Å; D157-R161 PolarHBondContact OD2-NE 3.49Å; D157-R161 IonicContact OD2-NH2 3.21Å; D157-R161 PolarHBondContact OD2-NH2 3.32Å
158	I	96.9	Very high	97.8	Very high	88 Å²	88	22.3 Å²	22.3	45%	0.451	11%	0.112	S	C	.	.	H	α-helix	trans	-59.4	-50.3	177.5	-70.1	171.8	0	0	0	110.6	V78 R156 L160 R161 M162	V78-I158 HydrophobicContact CG1-CB 4.42Å; V78-I158 HydrophobicContact CG1-CG1 4.5Å; V78-I158 HydrophobicContact CG1-CG2 3.92Å; V78-I158 HydrophobicContact CG2-CG2 3.84Å; R156-I158 VanDerWaalsContact C-N 3.34Å; R156-I158 PolarHBondContact O-N 3.46Å; I158-L160 VanDerWaalsContact C-N 3.33Å; I158-L160 PolarHBondContact O-N 2.83Å; I158-R161 PolarHBondContact O-N 3.12Å; I158-M162 WeakPolarHBondContact O-CG 3.35Å; I158-M162 PolarHBondContact O-N 3.03Å; I158-M162 VanDerWaalsContact O-N 3.09Å
159	H	98.1	Very high	97.6	Very high	18 Å²	18	24.1 Å²	24.1	8%	0.083	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-42.2	178.2	-59.6	70.1	0	0	0	111.5	R156 D157 R161 M162 F163 V218 I310	R156-H159 HydrophobicContact CB-CB 4.1Å; R156-H159 PolarHBondContact NH1-CE1 2.77Å; R156-H159 PolarHBondContact NH1-NE2 2.89Å; R156-H159 PolarHBondContact O-N 3.24Å; R156-H159 VanDerWaalsContact O-N 3.09Å; D157-H159 PolarHBondContact O-N 2.99Å; H159-R161 PolarHBondContact O-N 3.42Å; H159-M162 PolarHBondContact O-N 2.89Å; H159-F163 WeakPolarHBondContact O-CB 3.11Å; H159-F163 PolarHBondContact O-N 3Å; H159-V218 HydrophobicContact CB-CG1 4.14Å; H159-V218 HydrophobicContact CB-CG2 4.23Å; H159-I310 PolarHBondContact NE2-O 3.2Å
160	L	98.5	Very high	97.5	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-43.6	179.9	177.5	60.1	0	0	0	111.8	W81 Y153 R156 D157 I158 F163 L164 I182 V218	W81-L160 HydrophobicContact CH2-CD2 3.82Å; W81-L160 HydrophobicContact CH2-CG 3.98Å; W81-L160 HydrophobicContact CZ2-CD2 4.24Å; Y153-L160 HydrophobicContact CD2-CB 4.22Å; Y153-L160 HydrophobicContact CD2-CD2 4.14Å; Y153-L160 HydrophobicContact CE2-CB 3.68Å; Y153-L160 HydrophobicContact CE2-CD2 3.73Å; Y153-L160 HydrophobicContact CE2-CG 4.25Å; R156-L160 WeakPolarHBondContact O-CB 3.19Å; R156-L160 PolarHBondContact O-N 3.37Å; D157-L160 PolarHBondContact O-N 3.13Å; I158-L160 VanDerWaalsContact C-N 3.33Å; I158-L160 PolarHBondContact O-N 2.83Å; L160-F163 PolarHBondContact O-N 3.45Å; L160-L164 HydrophobicContact CD1-CD1 3.83Å; L160-L164 HydrophobicContact CD1-CD2 4.44Å; L160-L164 HydrophobicContact CD1-CG 3.9Å; L160-L164 HydrophobicContact CG-CD1 3.88Å; L160-L164 HydrophobicContact CG-CG 4.38Å; L160-L164 WeakPolarHBondContact O-CB 3.23Å; L160-L164 VanDerWaalsContact O-CG 3.24Å; L160-L164 WeakPolarHBondContact O-CG 3.41Å; L160-L164 PolarHBondContact O-N 3.29Å; L160-I182 HydrophobicContact CD1-CD1 3.44Å; L160-I182 VanDerWaalsContact CD1-CD1 3.44Å; L160-I182 HydrophobicContact CD1-CG1 3.84Å; L160-I182 HydrophobicContact CD1-CG2 4.35Å; L160-I182 HydrophobicContact CD2-CG2 4.26Å; L160-V218 HydrophobicContact CB-CG2 4.14Å; L160-V218 HydrophobicContact CD1-CG2 4.26Å
161	R	98.3	Very high	97.3	Very high	37 Å²	37	24.2 Å²	24.2	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-43.1	177.4	-72.9	-175.3	-70.7	130.9	-6.9	112.1	V78 P79 W81 L84 D157 I158 H159 G165	V78-R161 HydrophobicContact CG1-CB 4.4Å; P79-R161 HydrophobicContact CG-CB 4.24Å; P79-R161 WeakPolarHBondContact CG-O 3.47Å; P79-R161 WeakPolarHBondContact O-CD 3.35Å; P79-R161 PolarHBondContact O-NH1 2.83Å; W81-R161 HydrophobicContact CD2-CG 3.91Å; W81-R161 HydrophobicContact CE3-CG 4.16Å; W81-R161 HydrophobicContact CH2-CG 3.86Å; W81-R161 HydrophobicContact CZ2-CG 3.59Å; W81-R161 HydrophobicContact CZ3-CG 4.11Å; L84-R161 HydrophobicContact CD1-CB 3.93Å; L84-R161 HydrophobicContact CD1-CG 3.98Å; D157-R161 WeakPolarHBondContact O-CG 3.35Å; D157-R161 PolarHBondContact O-N 2.8Å; D157-R161 IonicContact OD1-NE 2.8Å; D157-R161 IonicContact OD2-CZ 2.71Å; D157-R161 IonicContact OD2-NE 2.77Å; D157-R161 PolarHBondContact OD2-NE 3.49Å; D157-R161 IonicContact OD2-NH2 3.21Å; D157-R161 PolarHBondContact OD2-NH2 3.32Å; I158-R161 PolarHBondContact O-N 3.12Å; H159-R161 PolarHBondContact O-N 3.42Å; R161-G165 PolarHBondContact O-N 2.81Å
162	M	98.3	Very high	97.1	Very high	19 Å²	19	26.5 Å²	26.5	9%	0.094	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-47.9	173.3	-67.8	-68.4	-70.3	0	0	111.4	E75 V78 I158 H159 G165 H166 I310	E75-M162 WeakPolarHBondContact O-CE 3.44Å; V78-M162 VanDerWaalsContact CA-SD 3.53Å; V78-M162 HydrophobicContact CB-SD 4.18Å; V78-M162 HydrophobicContact CG1-CG 4.19Å; V78-M162 HydrophobicContact CG1-SD 4.28Å; V78-M162 HydrophobicContact CG2-CG 4.47Å; V78-M162 HydrophobicContact CG2-SD 4.1Å; I158-M162 WeakPolarHBondContact O-CG 3.35Å; I158-M162 PolarHBondContact O-N 3.03Å; I158-M162 VanDerWaalsContact O-N 3.09Å; H159-M162 PolarHBondContact O-N 2.89Å; M162-G165 PolarHBondContact O-N 2.77Å; M162-H166 WeakPolarHBondContact O-CB 3.45Å; M162-H166 PolarHBondContact O-N 2.89Å; M162-I310 HydrophobicContact CB-CD1 3.61Å; M162-I310 HydrophobicContact CG-CD1 4.31Å
163	F	98.6	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-52.9	178.7	-179.8	-90.3	0	0	0	111.7	V149 V151 H159 L160 G165 H166 M167 I180 H216 V218 L221	V149-F163 HydrophobicContact CG1-CZ 4.31Å; V151-F163 HydrophobicContact CG2-CE1 3.57Å; V151-F163 HydrophobicContact CG2-CZ 3.56Å; H159-F163 WeakPolarHBondContact O-CB 3.11Å; H159-F163 PolarHBondContact O-N 3Å; L160-F163 PolarHBondContact O-N 3.45Å; F163-G165 VanDerWaalsContact C-N 3.33Å; F163-G165 PolarHBondContact O-N 3.19Å; F163-H166 PolarHBondContact O-N 2.74Å; F163-M167 HydrophobicContact CD1-CB 4.44Å; F163-M167 HydrophobicContact CD1-CG 3.99Å; F163-M167 HydrophobicContact CD2-CG 3.79Å; F163-M167 HydrophobicContact CE1-CB 4.18Å; F163-M167 HydrophobicContact CE1-CG 3.74Å; F163-M167 HydrophobicContact CE2-CG 3.54Å; F163-M167 HydrophobicContact CE2-SD 4.28Å; F163-M167 HydrophobicContact CG-CG 4.02Å; F163-M167 HydrophobicContact CZ-CB 4.37Å; F163-M167 HydrophobicContact CZ-CG 3.53Å; F163-M167 WeakPolarHBondContact O-CB 3.38Å; F163-M167 WeakPolarHBondContact O-CG 3.34Å; F163-M167 PolarHBondContact O-N 2.92Å; F163-I180 HydrophobicContact CE1-CD1 4.47Å; F163-I180 HydrophobicContact CE1-CG2 4.09Å; F163-H216 AromaticContact CE2-CE1 3.74Å; F163-H216 AromaticContact CE2-CG 3.97Å; F163-H216 AromaticContact CE2-ND1 3.5Å; F163-H216 WeakPolarHBondContact CE2-ND1 3.27Å; F163-H216 HydrophobicContact CZ-CB 4.49Å; F163-V218 HydrophobicContact CB-CG2 4.11Å; F163-V218 WeakPolarHBondContact CB-O 3.4Å; F163-V218 HydrophobicContact CG-CG2 4.31Å; F163-L221 HydrophobicContact CB-CD2 4.44Å; F163-L221 HydrophobicContact CD2-CD2 4.22Å
164	L	98.2	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-43	180	-69	168.4	0	0	0	111.5	W81 L84 L160 H166 H168 I180 L357 F358	W81-L164 HydrophobicContact CH2-CD1 3.82Å; W81-L164 HydrophobicContact CZ3-CD1 3.58Å; L84-L164 HydrophobicContact CD1-CB 4.37Å; L160-L164 HydrophobicContact CD1-CD1 3.83Å; L160-L164 HydrophobicContact CD1-CD2 4.44Å; L160-L164 HydrophobicContact CD1-CG 3.9Å; L160-L164 HydrophobicContact CG-CD1 3.88Å; L160-L164 HydrophobicContact CG-CG 4.38Å; L160-L164 WeakPolarHBondContact O-CB 3.23Å; L160-L164 VanDerWaalsContact O-CG 3.24Å; L160-L164 WeakPolarHBondContact O-CG 3.41Å; L160-L164 PolarHBondContact O-N 3.29Å; L164-H166 VanDerWaalsContact C-N 3.33Å; L164-H166 PolarHBondContact O-N 2.88Å; L164-H168 WeakPolarHBondContact O-CB 3.38Å; L164-H168 PolarHBondContact O-CD2 3.19Å; L164-H168 PolarHBondContact O-N 3.36Å; L164-I180 HydrophobicContact CD2-CD1 4.07Å; L164-I180 HydrophobicContact CD2-CG2 4.07Å; L164-L357 HydrophobicContact CD1-CD2 4.04Å; L164-L357 HydrophobicContact CD1-CG 4.45Å; L164-F358 HydrophobicContact CD1-CD1 3.43Å; L164-F358 VanDerWaalsContact CD1-CD1 3.43Å; L164-F358 HydrophobicContact CD1-CE1 3.68Å; L164-F358 HydrophobicContact CD1-CG 4.34Å; L164-F358 HydrophobicContact CD2-CB 3.94Å; L164-F358 HydrophobicContact CD2-CD1 4.01Å; L164-F358 HydrophobicContact CD2-CG 4.26Å; L164-F358 HydrophobicContact CG-CD1 4.38Å
165	G	96.6	Very high	96.4	Very high	14 Å²	14	30.6 Å²	30.6	14%	0.144	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-45.6	177.7	0	0	0	0	0	112.9	L84 Y88 R161 M162 F163	L84-G165 VanDerWaalsContact CD2-CA 3.41Å; Y88-G165 PolarHBondContact OH-O 3.28Å; R161-G165 PolarHBondContact O-N 2.81Å; M162-G165 PolarHBondContact O-N 2.77Å; F163-G165 VanDerWaalsContact C-N 3.33Å; F163-G165 PolarHBondContact O-N 3.19Å
166	H	98.1	Very high	96.2	Very high	28 Å²	28	24.7 Å²	24.7	13%	0.13	12%	0.124	C	C	.	.	H	α-helix	trans	-74.3	-50.5	179.4	-171.7	80.6	0	0	0	112.4	I74 M162 F163 L164 H168 A169 F170 L221 P222	I74-H166 WeakPolarHBondContact CD1-CE1 3.34Å; M162-H166 WeakPolarHBondContact O-CB 3.45Å; M162-H166 PolarHBondContact O-N 2.89Å; F163-H166 PolarHBondContact O-N 2.74Å; L164-H166 VanDerWaalsContact C-N 3.33Å; L164-H166 PolarHBondContact O-N 2.88Å; H166-H168 PolarHBondContact O-N 2.95Å; H166-A169 PolarHBondContact O-N 3.19Å; H166-F170 VanDerWaalsContact O-CB 3.28Å; H166-F170 WeakPolarHBondContact O-CB 3.45Å; H166-F170 PolarHBondContact O-N 3.24Å; H166-L221 HydrophobicContact CB-CD1 4.4Å; H166-L221 HydrophobicContact CB-CD2 3.89Å; H166-P222 PolarHBondContact CE1-O 2.97Å; H166-P222 PolarHBondContact NE2-O 3.34Å
167	M	98.1	Very high	96.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.1	-34.5	-172.1	-69.3	-52.6	-62.1	0	0	112.9	F163 F170 L171 I180 P222 Y229	F163-M167 HydrophobicContact CD1-CB 4.44Å; F163-M167 HydrophobicContact CD1-CG 3.99Å; F163-M167 HydrophobicContact CD2-CG 3.79Å; F163-M167 HydrophobicContact CE1-CB 4.18Å; F163-M167 HydrophobicContact CE1-CG 3.74Å; F163-M167 HydrophobicContact CE2-CG 3.54Å; F163-M167 HydrophobicContact CE2-SD 4.28Å; F163-M167 HydrophobicContact CG-CG 4.02Å; F163-M167 HydrophobicContact CZ-CB 4.37Å; F163-M167 HydrophobicContact CZ-CG 3.53Å; F163-M167 WeakPolarHBondContact O-CB 3.38Å; F163-M167 WeakPolarHBondContact O-CG 3.34Å; F163-M167 PolarHBondContact O-N 2.92Å; M167-F170 HydrophobicContact CE-CD1 4.05Å; M167-F170 PolarHBondContact O-N 2.97Å; M167-L171 HydrophobicContact CB-CD1 4.47Å; M167-L171 HydrophobicContact CE-CD1 4.21Å; M167-L171 HydrophobicContact CE-CD2 4.26Å; M167-L171 HydrophobicContact CE-CG 4.11Å; M167-L171 VanDerWaalsContact O-CB 3.29Å; M167-L171 WeakPolarHBondContact O-CB 3.36Å; M167-L171 WeakPolarHBondContact O-CG 3.2Å; M167-L171 PolarHBondContact O-N 2.81Å; M167-I180 HydrophobicContact CB-CD1 4.08Å; M167-P222 HydrophobicContact CE-CG 4.48Å; M167-P222 VanDerWaalsContact SD-CD 3.55Å; M167-P222 HydrophobicContact SD-CG 3.88Å; M167-Y229 HydrophobicContact CE-CD1 4.02Å; M167-Y229 HydrophobicContact CE-CE1 3.3Å
168	H	96.5	Very high	96.1	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.019	11%	0.106	C	C	.	.	H	α-helix	trans	-65.3	-44.4	171.8	-72	-42	0	0	0	112.3	Y88 L164 H166 F170 R172 Y178 I180 L357	Y88-H168 HydrophobicContact CD1-CB 3.56Å; Y88-H168 HydrophobicContact CD2-CB 3.98Å; Y88-H168 AromaticContact CD2-CD2 3.89Å; Y88-H168 HydrophobicContact CE1-CB 3.65Å; Y88-H168 HydrophobicContact CE2-CB 4.05Å; Y88-H168 HydrophobicContact CG-CB 3.73Å; Y88-H168 AromaticContact CG-CD2 3.93Å; L164-H168 WeakPolarHBondContact O-CB 3.38Å; L164-H168 PolarHBondContact O-CD2 3.19Å; L164-H168 PolarHBondContact O-N 3.36Å; H166-H168 PolarHBondContact O-N 2.95Å; H168-F170 VanDerWaalsContact C-N 3.3Å; H168-F170 PolarHBondContact O-N 2.88Å; H168-R172 VanDerWaalsContact O-CB 3.26Å; H168-R172 WeakPolarHBondContact O-CB 3.27Å; H168-R172 WeakPolarHBondContact O-CD 3.47Å; H168-R172 WeakPolarHBondContact O-CG 3.27Å; H168-R172 PolarHBondContact O-N 2.75Å; H168-Y178 AromaticContact CE1-CE2 3.95Å; H168-Y178 AromaticContact ND1-CE2 3.49Å; H168-Y178 WeakPolarHBondContact ND1-CE2 3.44Å; H168-Y178 AromaticContact ND1-CZ 3.63Å; H168-Y178 PolarHBondContact ND1-OH 2.86Å; H168-I180 VanDerWaalsContact CE1-CD1 3.44Å; H168-I180 WeakPolarHBondContact CE1-CD1 3.23Å; H168-L357 PolarHBondContact CE1-O 2.84Å; H168-L357 WeakPolarHBondContact NE2-CD1 3.25Å; H168-L357 PolarHBondContact NE2-O 2.93Å
169	A	94.6	Very high	96	Very high	37 Å²	37	16.6 Å²	16.6	31%	0.306	8%	0.084	S	C	.	.	H	α-helix	trans	-60.3	-44.6	175	0	0	0	0	0	111.3	Y88 H166 K173	Y88-A169 WeakPolarHBondContact OH-CB 3.28Å; H166-A169 PolarHBondContact O-N 3.19Å; A169-K173 WeakPolarHBondContact O-CG 3.28Å; A169-K173 PolarHBondContact O-N 2.97Å
170	F	96.6	Very high	96.1	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.013	8%	0.08	C	C	.	.	H	α-helix	trans	-64.2	-54.5	-177.8	-179.4	-93.3	0	0	0	112.8	L72 H166 M167 H168 R172 K173 P222 D224 D225 N227 Y229	L72-F170 HydrophobicContact CD1-CD2 3.79Å; L72-F170 HydrophobicContact CD1-CE2 4.24Å; H166-F170 VanDerWaalsContact O-CB 3.28Å; H166-F170 WeakPolarHBondContact O-CB 3.45Å; H166-F170 PolarHBondContact O-N 3.24Å; M167-F170 HydrophobicContact CE-CD1 4.05Å; M167-F170 PolarHBondContact O-N 2.97Å; H168-F170 VanDerWaalsContact C-N 3.3Å; H168-F170 PolarHBondContact O-N 2.88Å; F170-R172 PolarHBondContact O-N 2.99Å; F170-K173 PolarHBondContact O-N 2.91Å; F170-P222 HydrophobicContact CD1-CG 3.99Å; F170-P222 HydrophobicContact CD2-CB 4.34Å; F170-P222 HydrophobicContact CD2-CG 3.75Å; F170-P222 HydrophobicContact CE1-CB 4.42Å; F170-P222 HydrophobicContact CE1-CG 3.86Å; F170-P222 HydrophobicContact CE2-CB 3.73Å; F170-P222 HydrophobicContact CE2-CG 3.59Å; F170-P222 HydrophobicContact CG-CG 3.93Å; F170-P222 HydrophobicContact CZ-CB 3.78Å; F170-P222 HydrophobicContact CZ-CG 3.64Å; F170-D224 WeakPolarHBondContact CE2-O 3.45Å; F170-D225 HydrophobicContact CE2-CB 4.34Å; F170-N227 HydrophobicContact CZ-CB 4.32Å; F170-N227 WeakPolarHBondContact CZ-O 3.39Å; F170-Y229 HydrophobicContact CD1-CE2 4.43Å; F170-Y229 HydrophobicContact CE1-CD1 4.49Å; F170-Y229 AromaticContact CE1-CD2 3.41Å; F170-Y229 HydrophobicContact CE1-CD2 3.41Å; F170-Y229 VanDerWaalsContact CE1-CD2 3.41Å; F170-Y229 AromaticContact CE1-CE2 3.41Å; F170-Y229 HydrophobicContact CE1-CE2 3.41Å; F170-Y229 VanDerWaalsContact CE1-CE2 3.41Å; F170-Y229 AromaticContact CE1-CG 3.94Å; F170-Y229 HydrophobicContact CE1-CG 3.94Å; F170-Y229 AromaticContact CE1-CZ 4Å; F170-Y229 AromaticContact CZ-CD2 3.94Å; F170-Y229 HydrophobicContact CZ-CD2 3.94Å; F170-Y229 AromaticContact CZ-CE2 3.77Å; F170-Y229 HydrophobicContact CZ-CE2 3.77Å
171	L	95.8	Very high	96.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.1	-33.9	-176.1	-65.3	169	0	0	0	112.5	L147 V149 M167 K173 Q174 L176 Y178 I180 Y229	L147-L171 HydrophobicContact CD2-CD2 4.15Å; V149-L171 HydrophobicContact CG2-CD1 3.95Å; M167-L171 HydrophobicContact CB-CD1 4.47Å; M167-L171 HydrophobicContact CE-CD1 4.21Å; M167-L171 HydrophobicContact CE-CD2 4.26Å; M167-L171 HydrophobicContact CE-CG 4.11Å; M167-L171 VanDerWaalsContact O-CB 3.29Å; M167-L171 WeakPolarHBondContact O-CB 3.36Å; M167-L171 WeakPolarHBondContact O-CG 3.2Å; M167-L171 PolarHBondContact O-N 2.81Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.18Å; L171-Q174 PolarHBondContact O-N 2.63Å; L171-Q174 VanDerWaalsContact O-N 3.16Å; L171-L176 HydrophobicContact CB-CD1 4.44Å; L171-L176 HydrophobicContact CD2-CD1 3.76Å; L171-Y178 HydrophobicContact CB-CD1 3.79Å; L171-Y178 HydrophobicContact CB-CE1 3.62Å; L171-Y178 HydrophobicContact CB-CG 4.32Å; L171-Y178 HydrophobicContact CD1-CD1 4.34Å; L171-Y178 HydrophobicContact CD1-CD2 3.8Å; L171-Y178 HydrophobicContact CD1-CE1 4.46Å; L171-Y178 HydrophobicContact CD1-CE2 3.98Å; L171-Y178 HydrophobicContact CD1-CG 4.03Å; L171-I180 HydrophobicContact CD1-CD1 4.39Å; L171-Y229 HydrophobicContact CD2-CD1 3.7Å; L171-Y229 HydrophobicContact CD2-CG 3.92Å
172	R	93.5	Very high	96.1	Very high	48 Å²	48	13.9 Å²	13.9	18%	0.181	7%	0.073	C	C	.	.	H	α-helix	trans	-66.4	-35.3	178.3	-70.4	-178.2	-176.1	-162.9	0.6	112.6	Y88 W136 H168 F170 Q174 L175 Y178	Y88-R172 PolarHBondContact O-NH2 3.5Å; W136-R172 VanDerWaalsContact CD1-CZ 3.43Å; W136-R172 HydrophobicContact CD2-CG 3.77Å; W136-R172 HydrophobicContact CE3-CG 3.93Å; W136-R172 HydrophobicContact CG-CG 4.49Å; W136-R172 HydrophobicContact CH2-CB 3.73Å; W136-R172 HydrophobicContact CH2-CG 3.68Å; W136-R172 HydrophobicContact CZ2-CB 3.88Å; W136-R172 HydrophobicContact CZ2-CG 3.53Å; W136-R172 HydrophobicContact CZ3-CB 4.15Å; W136-R172 HydrophobicContact CZ3-CG 3.87Å; H168-R172 VanDerWaalsContact O-CB 3.26Å; H168-R172 WeakPolarHBondContact O-CB 3.27Å; H168-R172 WeakPolarHBondContact O-CD 3.47Å; H168-R172 WeakPolarHBondContact O-CG 3.27Å; H168-R172 PolarHBondContact O-N 2.75Å; F170-R172 PolarHBondContact O-N 2.99Å; R172-Q174 PolarHBondContact O-N 2.91Å; R172-L175 PolarHBondContact O-N 3.19Å; R172-L175 VanDerWaalsContact O-N 3.11Å; R172-Y178 HydrophobicContact CG-CE1 3.97Å; R172-Y178 PolarHBondContact NE-OH 3.13Å
173	K	92.8	Very high	96.1	Very high	91 Å²	91	13 Å²	13	40%	0.396	7%	0.069	S	C	.	.	H	α-helix	trans	-64.7	-26.6	173.9	-73.9	179.6	177.4	-173.5	0	112.7	N65 A169 F170 L171 L175	N65-K173 PolarHBondContact OD1-O 3.05Å; A169-K173 WeakPolarHBondContact O-CG 3.28Å; A169-K173 PolarHBondContact O-N 2.97Å; F170-K173 PolarHBondContact O-N 2.91Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.18Å; K173-L175 VanDerWaalsContact C-N 3.26Å; K173-L175 PolarHBondContact O-N 2.84Å
174	Q	93.8	Very high	96.1	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.037	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.3	175.5	-59.2	-168.8	17.7	0	0	113.6	L171 R172 L176 N227 R230	L171-Q174 PolarHBondContact O-N 2.63Å; L171-Q174 VanDerWaalsContact O-N 3.16Å; R172-Q174 PolarHBondContact O-N 2.91Å; Q174-L176 VanDerWaalsContact C-N 3.29Å; Q174-L176 HydrophobicContact CB-CD1 3.73Å; Q174-L176 HydrophobicContact CB-CG 3.82Å; Q174-L176 PolarHBondContact O-N 3.37Å; Q174-N227 PolarHBondContact NE2-O 2.88Å; Q174-R230 PolarHBondContact O-NH2 2.96Å
175	L	92.3	Very high	96.1	Very high	31 Å²	31	14 Å²	14	16%	0.162	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	41.5	176.7	-55	172.7	0	0	0	113	C61 P62 P66 P138 V140 R172 K173	C61-L175 HydrophobicContact CB-CB 4.2Å; P62-L175 HydrophobicContact CG-CD1 4.1Å; P66-L175 HydrophobicContact CG-CD1 4.14Å; P138-L175 HydrophobicContact CB-CB 4.4Å; P138-L175 HydrophobicContact CB-CD2 3.95Å; P138-L175 HydrophobicContact CG-CB 4.19Å; V140-L175 HydrophobicContact CG2-CD2 4.19Å; R172-L175 PolarHBondContact O-N 3.19Å; R172-L175 VanDerWaalsContact O-N 3.11Å; K173-L175 VanDerWaalsContact C-N 3.26Å; K173-L175 PolarHBondContact O-N 2.84Å
176	L	92.2	Very high	96.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.			trans	-90.5	145.4	-178.4	-62.2	165.1	0	0	0	111.7	W136 L147 L171 Q174 Y178 R230	W136-L176 WeakPolarHBondContact CZ3-O 3.21Å; L147-L176 HydrophobicContact CD2-CD1 4.07Å; L171-L176 HydrophobicContact CB-CD1 4.44Å; L171-L176 HydrophobicContact CD2-CD1 3.76Å; Q174-L176 VanDerWaalsContact C-N 3.29Å; Q174-L176 HydrophobicContact CB-CD1 3.73Å; Q174-L176 HydrophobicContact CB-CG 3.82Å; Q174-L176 PolarHBondContact O-N 3.37Å; L176-Y178 HydrophobicContact CB-CD1 4.31Å; L176-R230 HydrophobicContact CD2-CG 3.83Å; L176-R230 VanDerWaalsContact CD2-NH1 3.31Å
177	T	93.7	Very high	96	Very high	7 Å²	7	15.8 Å²	15.8	4%	0.043	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.2	156.7	-64.1	0	0	0	0	108	L135 W136 R137 P143 N146 L147	L135-T177 HydrophobicContact CD1-CG2 3.57Å; L135-T177 HydrophobicContact CD2-CG2 4.35Å; L135-T177 HydrophobicContact CG-CG2 3.98Å; W136-T177 CarbonylContact O-C 3.51Å; W136-T177 VanDerWaalsContact O-CA 3.23Å; W136-T177 WeakPolarHBondContact O-CA 3.32Å; R137-T177 HydrophobicContact CB-CG2 4.19Å; R137-T177 WeakPolarHBondContact CB-OG1 3.4Å; P143-T177 VanDerWaalsContact CG-OG1 3.32Å; P143-T177 WeakPolarHBondContact CG-OG1 3.5Å; N146-T177 WeakPolarHBondContact OD1-CB 3.42Å; N146-T177 WeakPolarHBondContact OD1-CG2 3.35Å; L147-T177 WeakPolarHBondContact CB-O 3.25Å; L147-T177 PolarHBondContact N-O 3.22Å
178	Y	96	Very high	95.7	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	158	-177.6	74.4	-92.3	0	0	0	114.7	W136 L147 H168 L171 R172 L176 I180	W136-Y178 HydrophobicContact CB-CD1 4.45Å; W136-Y178 HydrophobicContact CB-CE1 4Å; W136-Y178 HydrophobicContact CB-CE2 4.43Å; W136-Y178 AromaticContact CD2-CE1 3.85Å; W136-Y178 HydrophobicContact CD2-CE1 3.85Å; W136-Y178 AromaticContact CE3-CD1 3.73Å; W136-Y178 HydrophobicContact CE3-CD1 3.73Å; W136-Y178 AromaticContact CE3-CE1 3.32Å; W136-Y178 HydrophobicContact CE3-CE1 3.32Å; W136-Y178 HydrophobicContact CG-CE1 4.14Å; W136-Y178 HydrophobicContact CZ3-CD1 4.44Å; W136-Y178 HydrophobicContact CZ3-CE1 4.06Å; W136-Y178 PolarHBondContact N-O 3.1Å; W136-Y178 PolarHBondContact O-N 2.89Å; L147-Y178 CarbonylContact O-C 3.59Å; L147-Y178 WeakPolarHBondContact O-CA 3.02Å; H168-Y178 AromaticContact CE1-CE2 3.95Å; H168-Y178 AromaticContact ND1-CE2 3.49Å; H168-Y178 WeakPolarHBondContact ND1-CE2 3.44Å; H168-Y178 AromaticContact ND1-CZ 3.63Å; H168-Y178 PolarHBondContact ND1-OH 2.86Å; L171-Y178 HydrophobicContact CB-CD1 3.79Å; L171-Y178 HydrophobicContact CB-CE1 3.62Å; L171-Y178 HydrophobicContact CB-CG 4.32Å; L171-Y178 HydrophobicContact CD1-CD1 4.34Å; L171-Y178 HydrophobicContact CD1-CD2 3.8Å; L171-Y178 HydrophobicContact CD1-CE1 4.46Å; L171-Y178 HydrophobicContact CD1-CE2 3.98Å; L171-Y178 HydrophobicContact CD1-CG 4.03Å; R172-Y178 HydrophobicContact CG-CE1 3.97Å; R172-Y178 PolarHBondContact NE-OH 3.13Å; L176-Y178 HydrophobicContact CB-CD1 4.31Å; Y178-I180 HydrophobicContact CD2-CG1 3.99Å; Y178-I180 HydrophobicContact CE2-CD1 4.24Å; Y178-I180 HydrophobicContact CE2-CG1 3.96Å
179	T	96.5	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.2	162.9	-59	0	0	0	0	109.1	G134 L135 L147 V149 F181	G134-T179 PolarHBondContact O-OG1 3.24Å; L135-T179 WeakPolarHBondContact CA-OG1 3.19Å; L135-T179 WeakPolarHBondContact CD1-OG1 3.44Å; L147-T179 PolarHBondContact O-N 3.16Å; V149-T179 PolarHBondContact N-O 2.96Å; T179-F181 HydrophobicContact CG2-CD1 4.48Å; T179-F181 HydrophobicContact CG2-CD2 4.02Å; T179-F181 HydrophobicContact CG2-CE1 4.02Å; T179-F181 HydrophobicContact CG2-CE2 3.54Å; T179-F181 HydrophobicContact CG2-CG 4.47Å; T179-F181 HydrophobicContact CG2-CZ 3.52Å
180	I	98.4	Very high	95.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.8	170.8	-56.2	-176.4	0	0	0	108	V149 V151 F163 L164 M167 H168 L171 Y178 I182 F358 Y359	V149-I180 HydrophobicContact CB-CG1 4.22Å; V149-I180 CarbonylContact O-C 3.53Å; V149-I180 WeakPolarHBondContact O-CA 3.48Å; V151-I180 HydrophobicContact CG2-CG2 4.25Å; F163-I180 HydrophobicContact CE1-CD1 4.47Å; F163-I180 HydrophobicContact CE1-CG2 4.09Å; L164-I180 HydrophobicContact CD2-CD1 4.07Å; L164-I180 HydrophobicContact CD2-CG2 4.07Å; M167-I180 HydrophobicContact CB-CD1 4.08Å; H168-I180 VanDerWaalsContact CE1-CD1 3.44Å; H168-I180 WeakPolarHBondContact CE1-CD1 3.23Å; L171-I180 HydrophobicContact CD1-CD1 4.39Å; Y178-I180 HydrophobicContact CD2-CG1 3.99Å; Y178-I180 HydrophobicContact CE2-CD1 4.24Å; Y178-I180 HydrophobicContact CE2-CG1 3.96Å; I180-I182 HydrophobicContact CG2-CD1 3.75Å; I180-F358 HydrophobicContact CB-CB 4.27Å; I180-F358 HydrophobicContact CG2-CB 4.45Å; I180-F358 WeakPolarHBondContact O-CA 3.36Å; I180-F358 WeakPolarHBondContact O-CB 3.33Å; I180-Y359 PolarHBondContact O-N 3.23Å
181	F	98.6	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.7	176.2	-66.9	-87.4	0	0	0	109.9	A148 V149 I150 V151 T179 I183 V207 F210 Y359	A148-F181 HydrophobicContact CB-CD2 4.06Å; A148-F181 HydrophobicContact CB-CE2 3.88Å; V149-F181 PolarHBondContact O-N 3.12Å; I150-F181 HydrophobicContact CG1-CB 4.38Å; V151-F181 PolarHBondContact N-O 3.32Å; T179-F181 HydrophobicContact CG2-CD1 4.48Å; T179-F181 HydrophobicContact CG2-CD2 4.02Å; T179-F181 HydrophobicContact CG2-CE1 4.02Å; T179-F181 HydrophobicContact CG2-CE2 3.54Å; T179-F181 HydrophobicContact CG2-CG 4.47Å; T179-F181 HydrophobicContact CG2-CZ 3.52Å; F181-I183 HydrophobicContact CB-CD1 3.96Å; F181-V207 HydrophobicContact CE1-CB 4.48Å; F181-V207 HydrophobicContact CE1-CG2 3.66Å; F181-V207 HydrophobicContact CZ-CB 3.98Å; F181-V207 HydrophobicContact CZ-CG2 3.62Å; F181-F210 HydrophobicContact CE2-CD2 4.46Å; F181-F210 HydrophobicContact CE2-CE1 4.41Å; F181-F210 AromaticContact CE2-CE2 3.63Å; F181-F210 HydrophobicContact CE2-CE2 3.63Å; F181-F210 AromaticContact CE2-CZ 3.59Å; F181-F210 HydrophobicContact CE2-CZ 3.59Å; F181-F210 AromaticContact CZ-CE2 3.58Å; F181-F210 HydrophobicContact CZ-CE2 3.58Å; F181-F210 AromaticContact CZ-CZ 3.72Å; F181-F210 HydrophobicContact CZ-CZ 3.72Å; F181-Y359 WeakPolarHBondContact CA-O 3.36Å; F181-Y359 AromaticContact CD1-CD1 3.81Å; F181-Y359 HydrophobicContact CD1-CD1 3.81Å; F181-Y359 AromaticContact CD1-CG 3.89Å; F181-Y359 HydrophobicContact CD1-CG 3.89Å; F181-Y359 AromaticContact CE1-CD1 3.83Å; F181-Y359 HydrophobicContact CE1-CD1 3.83Å; F181-Y359 HydrophobicContact CE1-CD2 4.36Å; F181-Y359 AromaticContact CE1-CG 3.7Å; F181-Y359 HydrophobicContact CE1-CG 3.7Å
182	I	98.8	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112.6	174.4	-53.1	-54.2	0	0	0	107.8	V151 Y153 L160 I180 F358 Y359 W360 V361	V151-I182 HydrophobicContact CB-CD1 3.77Å; V151-I182 HydrophobicContact CG1-CD1 4.26Å; V151-I182 HydrophobicContact CG2-CD1 4.06Å; Y153-I182 HydrophobicContact CD1-CG2 4.06Å; Y153-I182 HydrophobicContact CD2-CG2 4.27Å; Y153-I182 HydrophobicContact CG-CG2 3.68Å; L160-I182 HydrophobicContact CD1-CD1 3.44Å; L160-I182 VanDerWaalsContact CD1-CD1 3.44Å; L160-I182 HydrophobicContact CD1-CG1 3.84Å; L160-I182 HydrophobicContact CD1-CG2 4.35Å; L160-I182 HydrophobicContact CD2-CG2 4.26Å; I180-I182 HydrophobicContact CG2-CD1 3.75Å; I182-F358 HydrophobicContact CB-CD2 3.92Å; I182-F358 HydrophobicContact CB-CE2 4.17Å; I182-F358 HydrophobicContact CG1-CB 4.09Å; I182-F358 HydrophobicContact CG1-CD2 3.38Å; I182-F358 HydrophobicContact CG1-CE2 3.92Å; I182-F358 HydrophobicContact CG1-CG 3.79Å; I182-Y359 PolarHBondContact N-O 3.04Å; I182-W360 HydrophobicContact CB-CE3 3.96Å; I182-W360 HydrophobicContact CB-CZ3 4.38Å; I182-W360 HydrophobicContact CG2-CE3 3.72Å; I182-W360 HydrophobicContact CG2-CZ3 3.62Å; I182-V361 PolarHBondContact O-N 3.15Å
183	I	98.8	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	94.9	-176.1	-43.3	-57.2	0	0	0	108.9	I150 V151 Y153 F181 L196 V199 G200 V361	I150-I183 HydrophobicContact CG2-CG1 3.9Å; V151-I183 PolarHBondContact O-N 3.47Å; Y153-I183 PolarHBondContact N-O 3.04Å; F181-I183 HydrophobicContact CB-CD1 3.96Å; I183-L196 HydrophobicContact CB-CB 4.25Å; I183-L196 HydrophobicContact CG2-CB 3.98Å; I183-L196 HydrophobicContact CG2-CD2 3.83Å; I183-L196 WeakPolarHBondContact CG2-O 3.48Å; I183-V199 HydrophobicContact CG2-CB 4.05Å; I183-V199 HydrophobicContact CG2-CG1 3.81Å; I183-G200 VanDerWaalsContact CD1-CA 3.46Å; I183-V361 CarbonylContact C-O 3.53Å; I183-V361 WeakPolarHBondContact CA-O 3.22Å; I183-V361 HydrophobicContact CD1-CB 3.79Å; I183-V361 HydrophobicContact CD1-CG1 4.48Å; I183-V361 HydrophobicContact CD1-CG2 3.91Å
184	N	98.7	Very high	96.4	Very high	18 Å²	18	26.4 Å²	26.4	10%	0.096	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.2	-177.4	179.2	70.5	0	0	0	112.1	Y153 W360 V361 S362 I363	Y153-N184 HydrophobicContact CD1-CB 4.13Å; Y153-N184 WeakPolarHBondContact CD1-OD1 3.41Å; Y153-N184 VanDerWaalsContact O-CA 3.29Å; Y153-N184 WeakPolarHBondContact O-CA 3.4Å; N184-W360 HydrophobicContact CB-CD2 4.49Å; N184-W360 HydrophobicContact CB-CE3 4.45Å; N184-W360 HydrophobicContact CB-CH2 3.45Å; N184-W360 VanDerWaalsContact CB-CH2 3.45Å; N184-W360 HydrophobicContact CB-CZ2 3.41Å; N184-W360 VanDerWaalsContact CB-CZ2 3.41Å; N184-W360 HydrophobicContact CB-CZ3 3.99Å; N184-W360 VanDerWaalsContact CG-CZ2 3.48Å; N184-V361 PolarHBondContact N-O 3.3Å; N184-S362 PolarHBondContact ND2-OG 2.95Å; N184-S362 WeakPolarHBondContact O-CA 3.44Å; N184-I363 PolarHBondContact O-N 3.05Å
185	Q	98.4	Very high	96.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	108.9	167.5	-171.2	174	-36.9	0	0	110.4	Y153 R154 T189 H190 F191 L196 P365	Y153-Q185 PolarHBondContact O-N 2.68Å; R154-Q185 WeakPolarHBondContact CD-O 3.44Å; Q185-T189 PolarHBondContact NE2-O 3.4Å; Q185-T189 PolarHBondContact NE2-OG1 3.03Å; Q185-H190 PolarHBondContact NE2-O 3.37Å; Q185-F191 HydrophobicContact CB-CD2 4.32Å; Q185-F191 HydrophobicContact CB-CE2 4.3Å; Q185-L196 HydrophobicContact CB-CD1 3.85Å; Q185-L196 HydrophobicContact CB-CD2 3.83Å; Q185-L196 HydrophobicContact CB-CG 4.38Å; Q185-L196 HydrophobicContact CG-CD2 4.48Å; Q185-P365 HydrophobicContact CG-CG 3.76Å
186	A	97.4	Very high	96.9	Very high	22 Å²	22	24.8 Å²	24.8	18%	0.182	14%	0.136	C	C	.	.			trans	-78.5	163.2	170.6	0	0	0	0	0	111.8	L348 I363	A186-L348 HydrophobicContact CB-CD1 3.41Å; A186-L348 VanDerWaalsContact CB-CD1 3.41Å; A186-I363 WeakPolarHBondContact CB-O 3.38Å; A186-I363 PolarHBondContact N-O 2.96Å
187	G	93.8	Very high	97.2	Very high	58 Å²	58	24.8 Å²	24.8	60%	0.598	14%	0.136	S	C	*	.	S	Bend	trans	85.3	-167.3	177.9	0	0	0	0	0	114
188	K	92.5	Very high	97.5	Very high	198 Å²	198	24.4 Å²	24.4	86%	0.861	13%	0.134	S	C	*	.	S	Bend	trans	-114.3	4.6	-171.5	-59.3	-176.7	-179.3	-179.2	0	113.8
189	T	94.5	Very high	97.6	Very high	63 Å²	63	24.4 Å²	24.4	39%	0.387	13%	0.134	S	C	.	.	S	Bend	trans	-63.1	153.6	175.3	51.1	0	0	0	0	109.9	R154 Q185	R154-T189 PolarHBondContact NH1-O 2.85Å; Q185-T189 PolarHBondContact NE2-O 3.4Å; Q185-T189 PolarHBondContact NE2-OG1 3.03Å
190	H	96.7	Very high	97.7	Very high	94 Å²	94	24.4 Å²	24.4	44%	0.435	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-55.9	147.2	172.9	-64.9	151	0	0	0	110.5	Q185 N192 F277 D317	Q185-H190 PolarHBondContact NE2-O 3.37Å; H190-N192 PolarHBondContact O-N 3.32Å; H190-F277 HydrophobicContact CB-CB 4.28Å; H190-D317 WeakPolarHBondContact CA-O 3.49Å
191	F	97.9	Very high	97.7	Very high	26 Å²	26	24.3 Å²	24.3	11%	0.114	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-57.3	134.5	179.5	-161.4	-127.7	0	0	0	110.4	P152 R154 Q185 R193 L196 G278 D317 N318	P152-F191 HydrophobicContact CB-CE1 4.45Å; P152-F191 HydrophobicContact CB-CZ 3.93Å; R154-F191 HydrophobicContact CB-CD2 4.1Å; R154-F191 HydrophobicContact CB-CE2 3.88Å; Q185-F191 HydrophobicContact CB-CD2 4.32Å; Q185-F191 HydrophobicContact CB-CE2 4.3Å; F191-R193 HydrophobicContact CD1-CB 4.01Å; F191-R193 HydrophobicContact CE1-CB 3.76Å; F191-R193 HydrophobicContact CE1-CG 4.23Å; F191-L196 HydrophobicContact CD2-CD1 3.98Å; F191-L196 HydrophobicContact CE1-CD1 4.43Å; F191-L196 HydrophobicContact CE2-CD1 3.23Å; F191-L196 HydrophobicContact CZ-CD1 3.51Å; F191-G278 PolarHBondContact O-N 3.24Å; F191-D317 PolarHBondContact N-O 3.45Å; F191-D317 VanDerWaalsContact N-O 3.1Å; F191-N318 HydrophobicContact CB-CB 4.07Å
192	N	98.1	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.			trans	-122.5	81.7	173.9	-171	-29.2	0	0	0	108.9	H190 A194 L195 L196 N274 Y276 F277	H190-N192 PolarHBondContact O-N 3.32Å; N192-A194 VanDerWaalsContact C-N 3.32Å; N192-A194 PolarHBondContact O-N 2.67Å; N192-L195 HydrophobicContact CB-CB 4.04Å; N192-L195 PolarHBondContact O-N 2.74Å; N192-L195 WeakPolarHBondContact OD1-CB 3.31Å; N192-L195 PolarHBondContact OD1-N 3.22Å; N192-L196 VanDerWaalsContact O-CG 3.3Å; N192-L196 WeakPolarHBondContact O-CG 3.4Å; N192-L196 PolarHBondContact O-N 2.86Å; N192-N274 PolarHBondContact ND2-O 3.45Å; N192-Y276 PolarHBondContact OD1-O 2.88Å; N192-F277 HydrophobicContact CB-CD1 3.81Å; N192-F277 HydrophobicContact CB-CE1 3.84Å; N192-F277 HydrophobicContact CB-CG 4.31Å; N192-F277 HydrophobicContact CB-CZ 4.37Å; N192-F277 WeakPolarHBondContact ND2-CD2 3.45Å; N192-F277 WeakPolarHBondContact ND2-CE2 3.29Å; N192-F277 WeakPolarHBondContact ND2-CZ 3.39Å
193	R	98.2	Very high	97.6	Very high	26 Å²	26	25 Å²	25	10%	0.098	14%	0.137	C	C	.	.	H	α-helix	trans	-54.2	-49.2	-177	-178.1	175.5	165.7	-84.3	-6	111.6	P152 F191 L195 L196 L197 D217 E282	P152-R193 HydrophobicContact CB-CG 4.19Å; P152-R193 HydrophobicContact CG-CG 3.72Å; F191-R193 HydrophobicContact CD1-CB 4.01Å; F191-R193 HydrophobicContact CE1-CB 3.76Å; F191-R193 HydrophobicContact CE1-CG 4.23Å; R193-L195 PolarHBondContact O-N 3.3Å; R193-L196 PolarHBondContact O-N 3.42Å; R193-L197 HydrophobicContact CG-CD1 4.25Å; R193-L197 WeakPolarHBondContact O-CG 3.33Å; R193-L197 PolarHBondContact O-N 2.63Å; R193-D217 IonicContact CZ-OD1 3.97Å; R193-D217 IonicContact NE-OD1 3.84Å; R193-D217 PolarHBondContact NE-OD1 2.98Å; R193-D217 IonicContact NE-OD2 2.88Å; R193-D217 IonicContact NH2-OD1 3.95Å; R193-D217 PolarHBondContact NH2-OD1 2.9Å; R193-D217 IonicContact NH2-OD2 3.93Å; R193-E282 WeakPolarHBondContact CD-OE1 3.39Å; R193-E282 IonicContact CZ-OE1 2.63Å; R193-E282 IonicContact NE-OE1 3.3Å; R193-E282 IonicContact NH1-OE1 3.45Å; R193-E282 PolarHBondContact NH1-OE1 3.03Å
194	A	98.6	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-45.5	-178.3	0	0	0	0	0	113.5	N192 L196 L197 N198 F272 S273 E282	N192-A194 VanDerWaalsContact C-N 3.32Å; N192-A194 PolarHBondContact O-N 2.67Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-L196 PolarHBondContact O-N 3.35Å; A194-L197 PolarHBondContact O-N 2.97Å; A194-N198 PolarHBondContact O-N 2.69Å; A194-F272 HydrophobicContact CB-CB 3.63Å; A194-F272 HydrophobicContact CB-CD1 4.34Å; A194-F272 HydrophobicContact CB-CG 4.27Å; A194-S273 WeakPolarHBondContact CB-O 3.26Å; A194-E282 HydrophobicContact CB-CB 3.9Å; A194-E282 HydrophobicContact CB-CG 3.97Å
195	L	98.7	Very high	97.2	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-46	174.5	174.8	65	0	0	0	111	N192 R193 L197 N198 V199 N274 A343 P365	N192-L195 HydrophobicContact CB-CB 4.04Å; N192-L195 PolarHBondContact O-N 2.74Å; N192-L195 WeakPolarHBondContact OD1-CB 3.31Å; N192-L195 PolarHBondContact OD1-N 3.22Å; R193-L195 PolarHBondContact O-N 3.3Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3Å; L195-N198 WeakPolarHBondContact O-CB 3.41Å; L195-N198 PolarHBondContact O-N 2.75Å; L195-V199 HydrophobicContact CD1-CG2 4.31Å; L195-V199 HydrophobicContact CG-CG2 4.38Å; L195-V199 VanDerWaalsContact O-CG2 3.31Å; L195-V199 WeakPolarHBondContact O-CG2 3.3Å; L195-V199 PolarHBondContact O-N 2.94Å; L195-N274 HydrophobicContact CD1-CB 4.19Å; L195-N274 WeakPolarHBondContact CD1-OD1 3.5Å; L195-A343 HydrophobicContact CD1-CB 3.67Å; L195-P365 HydrophobicContact CD2-CB 3.57Å; L195-P365 HydrophobicContact CD2-CG 3.91Å
196	L	98.9	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-37.3	-179.5	-62.1	167.7	0	0	0	112.3	P152 I183 Q185 F191 N192 R193 A194 V199 G200 I363	P152-L196 HydrophobicContact CB-CB 3.73Å; P152-L196 HydrophobicContact CB-CD1 3.87Å; P152-L196 HydrophobicContact CB-CG 4.49Å; I183-L196 HydrophobicContact CB-CB 4.25Å; I183-L196 HydrophobicContact CG2-CB 3.98Å; I183-L196 HydrophobicContact CG2-CD2 3.83Å; I183-L196 WeakPolarHBondContact CG2-O 3.48Å; Q185-L196 HydrophobicContact CB-CD1 3.85Å; Q185-L196 HydrophobicContact CB-CD2 3.83Å; Q185-L196 HydrophobicContact CB-CG 4.38Å; Q185-L196 HydrophobicContact CG-CD2 4.48Å; F191-L196 HydrophobicContact CD2-CD1 3.98Å; F191-L196 HydrophobicContact CE1-CD1 4.43Å; F191-L196 HydrophobicContact CE2-CD1 3.23Å; F191-L196 HydrophobicContact CZ-CD1 3.51Å; N192-L196 VanDerWaalsContact O-CG 3.3Å; N192-L196 WeakPolarHBondContact O-CG 3.4Å; N192-L196 PolarHBondContact O-N 2.86Å; R193-L196 PolarHBondContact O-N 3.42Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-L196 PolarHBondContact O-N 3.35Å; L196-V199 PolarHBondContact O-N 2.93Å; L196-G200 PolarHBondContact O-N 3.33Å; L196-I363 HydrophobicContact CD2-CD1 3.58Å; L196-I363 HydrophobicContact CD2-CG1 3.78Å
197	L	98.9	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-43	174.6	-64.3	175.1	0	0	0	111.3	I150 P152 R193 A194 L195 G200 F201 F215 F272	I150-L197 HydrophobicContact CG2-CD2 4.01Å; P152-L197 HydrophobicContact CB-CD2 4.19Å; P152-L197 HydrophobicContact CB-CG 4.47Å; P152-L197 HydrophobicContact CG-CD2 3.69Å; P152-L197 HydrophobicContact CG-CG 4.19Å; R193-L197 HydrophobicContact CG-CD1 4.25Å; R193-L197 WeakPolarHBondContact O-CG 3.33Å; R193-L197 PolarHBondContact O-N 2.63Å; A194-L197 PolarHBondContact O-N 2.97Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3Å; L197-G200 PolarHBondContact O-N 2.83Å; L197-F201 PolarHBondContact O-N 2.96Å; L197-F201 VanDerWaalsContact O-N 3.08Å; L197-F215 HydrophobicContact CB-CD1 3.81Å; L197-F215 HydrophobicContact CB-CE1 4.35Å; L197-F215 HydrophobicContact CD1-CB 4.25Å; L197-F215 HydrophobicContact CD2-CB 3.97Å; L197-F215 HydrophobicContact CD2-CD1 3.97Å; L197-F215 HydrophobicContact CD2-CG 4.46Å; L197-F215 HydrophobicContact CG-CD1 4.33Å; L197-F272 HydrophobicContact CB-CD2 3.72Å; L197-F272 HydrophobicContact CB-CE2 3.63Å; L197-F272 HydrophobicContact CB-CG 4.41Å; L197-F272 HydrophobicContact CB-CZ 4.21Å; L197-F272 HydrophobicContact CD1-CD1 4.12Å; L197-F272 HydrophobicContact CD1-CD2 4.22Å; L197-F272 HydrophobicContact CD1-CE1 3.57Å; L197-F272 HydrophobicContact CD1-CE2 3.73Å; L197-F272 HydrophobicContact CD1-CG 4.43Å; L197-F272 HydrophobicContact CD1-CZ 3.38Å; L197-F272 HydrophobicContact CG-CE2 4.29Å; L197-F272 HydrophobicContact CG-CZ 4.39Å
198	N	98.9	Very high	95.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-44	172.3	-77.8	-16.5	0	0	0	112.2	A194 L195 G200 F201 I202 F272 N274 A343	A194-N198 PolarHBondContact O-N 2.69Å; L195-N198 WeakPolarHBondContact O-CB 3.41Å; L195-N198 PolarHBondContact O-N 2.75Å; N198-G200 VanDerWaalsContact C-N 3.33Å; N198-G200 PolarHBondContact O-N 3.09Å; N198-F201 WeakPolarHBondContact O-CB 3.46Å; N198-F201 PolarHBondContact O-N 2.84Å; N198-I202 WeakPolarHBondContact O-CG1 3.48Å; N198-I202 PolarHBondContact O-N 2.83Å; N198-I202 VanDerWaalsContact O-N 3.07Å; N198-F272 PolarHBondContact ND2-O 2.9Å; N198-F272 PolarHBondContact OD1-N 2.86Å; N198-N274 PolarHBondContact ND2-OD1 2.83Å; N198-A343 HydrophobicContact CB-CB 4.34Å
199	V	98.7	Very high	95.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-45.3	175.5	171.1	0	0	0	0	110.6	I183 L195 L196 F201 I202 E203 Y345 V361 I363	I183-V199 HydrophobicContact CG2-CB 4.05Å; I183-V199 HydrophobicContact CG2-CG1 3.81Å; L195-V199 HydrophobicContact CD1-CG2 4.31Å; L195-V199 HydrophobicContact CG-CG2 4.38Å; L195-V199 VanDerWaalsContact O-CG2 3.31Å; L195-V199 WeakPolarHBondContact O-CG2 3.3Å; L195-V199 PolarHBondContact O-N 2.94Å; L196-V199 PolarHBondContact O-N 2.93Å; V199-F201 VanDerWaalsContact C-N 3.29Å; V199-F201 PolarHBondContact O-N 2.75Å; V199-I202 PolarHBondContact O-N 2.03Å; V199-I202 VanDerWaalsContact O-N 3.08Å; V199-E203 HydrophobicContact CG1-CG 3.8Å; V199-E203 WeakPolarHBondContact O-CB 3.26Å; V199-E203 WeakPolarHBondContact O-CG 3.23Å; V199-E203 PolarHBondContact O-N 2.84Å; V199-Y345 HydrophobicContact CG1-CD2 4.32Å; V199-Y345 HydrophobicContact CG1-CE2 3.93Å; V199-Y345 HydrophobicContact CG2-CD1 3.5Å; V199-Y345 HydrophobicContact CG2-CD2 4.12Å; V199-Y345 HydrophobicContact CG2-CE1 3.6Å; V199-Y345 HydrophobicContact CG2-CE2 4.18Å; V199-Y345 HydrophobicContact CG2-CG 3.78Å; V199-V361 HydrophobicContact CG1-CG1 4.39Å; V199-I363 HydrophobicContact CG1-CG1 4.35Å; V199-I363 HydrophobicContact CG1-CG2 3.87Å; V199-I363 HydrophobicContact CG2-CG1 4.5Å
200	G	98.7	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.5	-38.2	176.8	0	0	0	0	0	113.1	I150 I183 L196 L197 N198 I202 S204	I150-G200 VanDerWaalsContact CD1-C 3.4Å; I183-G200 VanDerWaalsContact CD1-CA 3.46Å; L196-G200 PolarHBondContact O-N 3.33Å; L197-G200 PolarHBondContact O-N 2.83Å; N198-G200 VanDerWaalsContact C-N 3.33Å; N198-G200 PolarHBondContact O-N 3.09Å; G200-I202 VanDerWaalsContact C-N 3.33Å; G200-I202 PolarHBondContact O-N 3.22Å; G200-S204 WeakPolarHBondContact O-CB 3.43Å; G200-S204 PolarHBondContact O-N 3.32Å; G200-S204 PolarHBondContact O-OG 3.45Å; G200-S204 VanDerWaalsContact O-OG 3.05Å
201	F	98.8	Very high	95.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.8	-41.8	173.3	172.5	-99.6	0	0	0	111.9	I150 L197 N198 V199 S204 F213 F215 K263 F266 V267 Y340	I150-F201 HydrophobicContact CD1-CB 4.3Å; L197-F201 PolarHBondContact O-N 2.96Å; L197-F201 VanDerWaalsContact O-N 3.08Å; N198-F201 WeakPolarHBondContact O-CB 3.46Å; N198-F201 PolarHBondContact O-N 2.84Å; V199-F201 VanDerWaalsContact C-N 3.29Å; V199-F201 PolarHBondContact O-N 2.75Å; F201-S204 PolarHBondContact O-OG 3.08Å; F201-F213 AromaticContact CD2-CD1 3.64Å; F201-F213 HydrophobicContact CD2-CD1 3.64Å; F201-F213 HydrophobicContact CD2-CD2 4.17Å; F201-F213 AromaticContact CD2-CE1 3.44Å; F201-F213 HydrophobicContact CD2-CE1 3.44Å; F201-F213 VanDerWaalsContact CD2-CE1 3.44Å; F201-F213 HydrophobicContact CD2-CE2 4.02Å; F201-F213 AromaticContact CD2-CG 3.99Å; F201-F213 HydrophobicContact CD2-CG 3.99Å; F201-F213 AromaticContact CD2-CZ 3.65Å; F201-F213 HydrophobicContact CD2-CZ 3.65Å; F201-F213 HydrophobicContact CE2-CD1 4.29Å; F201-F213 HydrophobicContact CE2-CD2 4.08Å; F201-F213 AromaticContact CE2-CE1 3.88Å; F201-F213 HydrophobicContact CE2-CE1 3.88Å; F201-F213 AromaticContact CE2-CE2 3.68Å; F201-F213 HydrophobicContact CE2-CE2 3.68Å; F201-F213 HydrophobicContact CE2-CG 4.38Å; F201-F213 AromaticContact CE2-CZ 3.55Å; F201-F213 HydrophobicContact CE2-CZ 3.55Å; F201-F213 HydrophobicContact CG-CE1 4.42Å; F201-F215 HydrophobicContact CB-CE1 4.34Å; F201-F215 HydrophobicContact CB-CZ 4.46Å; F201-K263 HydrophobicContact CE2-CG 4.34Å; F201-K263 HydrophobicContact CZ-CG 4.49Å; F201-F266 HydrophobicContact CB-CD1 4.2Å; F201-F266 HydrophobicContact CB-CE1 3.61Å; F201-F266 HydrophobicContact CB-CZ 4.27Å; F201-F266 AromaticContact CD1-CD1 3.81Å; F201-F266 HydrophobicContact CD1-CD1 3.81Å; F201-F266 AromaticContact CD1-CE1 3.66Å; F201-F266 HydrophobicContact CD1-CE1 3.66Å; F201-F266 AromaticContact CD2-CD1 3.4Å; F201-F266 HydrophobicContact CD2-CD1 3.4Å; F201-F266 VanDerWaalsContact CD2-CD1 3.4Å; F201-F266 AromaticContact CD2-CE1 3.75Å; F201-F266 HydrophobicContact CD2-CE1 3.75Å; F201-F266 HydrophobicContact CD2-CG 4.24Å; F201-F266 AromaticContact CE1-CD1 3.99Å; F201-F266 HydrophobicContact CE1-CD1 3.99Å; F201-F266 HydrophobicContact CE1-CE1 4.26Å; F201-F266 HydrophobicContact CE2-CB 4.41Å; F201-F266 AromaticContact CE2-CD1 3.62Å; F201-F266 HydrophobicContact CE2-CD1 3.62Å; F201-F266 HydrophobicContact CE2-CE1 4.35Å; F201-F266 HydrophobicContact CE2-CG 4.37Å; F201-F266 AromaticContact CG-CD1 3.52Å; F201-F266 HydrophobicContact CG-CD1 3.52Å; F201-F266 AromaticContact CG-CE1 3.38Å; F201-F266 HydrophobicContact CG-CE1 3.38Å; F201-F266 HydrophobicContact CG-CZ 4.44Å; F201-F266 AromaticContact CZ-CD1 3.91Å; F201-F266 HydrophobicContact CZ-CD1 3.91Å; F201-V267 HydrophobicContact CE1-CG2 4.37Å; F201-V267 HydrophobicContact CZ-CG2 3.74Å; F201-Y340 HydrophobicContact CD1-CD1 4.48Å; F201-Y340 AromaticContact CD1-CD2 3.77Å; F201-Y340 HydrophobicContact CD1-CD2 3.77Å; F201-Y340 HydrophobicContact CD1-CE2 4.29Å; F201-Y340 AromaticContact CD1-CG 3.9Å; F201-Y340 HydrophobicContact CD1-CG 3.9Å; F201-Y340 HydrophobicContact CE1-CD1 4.31Å; F201-Y340 AromaticContact CE1-CD2 3.68Å; F201-Y340 HydrophobicContact CE1-CD2 3.68Å; F201-Y340 HydrophobicContact CE1-CE1 4.33Å; F201-Y340 AromaticContact CE1-CE2 3.71Å; F201-Y340 HydrophobicContact CE1-CE2 3.71Å; F201-Y340 HydrophobicContact CE1-CG 4.01Å
202	I	98.3	Very high	95.9	Very high	13 Å²	13	17.4 Å²	17.4	7%	0.067	9%	0.087	C	C	.	.	H	α-helix	trans	-68.6	-51.2	179.1	-62.3	160.5	0	0	0	111	N198 V199 G200 K205 Y340 A343 Y345	N198-I202 WeakPolarHBondContact O-CG1 3.48Å; N198-I202 PolarHBondContact O-N 2.83Å; N198-I202 VanDerWaalsContact O-N 3.07Å; V199-I202 PolarHBondContact O-N 2.03Å; V199-I202 VanDerWaalsContact O-N 3.08Å; G200-I202 VanDerWaalsContact C-N 3.33Å; G200-I202 PolarHBondContact O-N 3.22Å; I202-K205 WeakPolarHBondContact O-CB 3.4Å; I202-K205 WeakPolarHBondContact O-CG 3.34Å; I202-Y340 VanDerWaalsContact CD1-O 3.3Å; I202-Y340 WeakPolarHBondContact CD1-O 3.43Å; I202-Y340 HydrophobicContact CG1-CD2 4.33Å; I202-A343 HydrophobicContact CD1-CB 4.05Å; I202-Y345 HydrophobicContact CD1-CE1 4.11Å; I202-Y345 WeakPolarHBondContact CG2-OH 3.22Å
203	E	96.8	Very high	95.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	9%	0.088	C	C	.	.	H	α-helix	trans	-81	-21.3	-168.3	-62.6	-68.1	128.1	0	0	112.5	R41 V199 K205 R206 Y345 V361	R41-E203 IonicContact NH1-OE1 3.76Å; V199-E203 HydrophobicContact CG1-CG 3.8Å; V199-E203 WeakPolarHBondContact O-CB 3.26Å; V199-E203 WeakPolarHBondContact O-CG 3.23Å; V199-E203 PolarHBondContact O-N 2.84Å; E203-K205 PolarHBondContact O-N 2.93Å; E203-R206 VanDerWaalsContact O-CB 3.3Å; E203-R206 WeakPolarHBondContact O-CB 3.05Å; E203-R206 VanDerWaalsContact O-CG 3.23Å; E203-R206 WeakPolarHBondContact O-CG 3.45Å; E203-R206 PolarHBondContact O-N 2.85Å; E203-R206 VanDerWaalsContact O-N 3.13Å; E203-R206 IonicContact OE1-NH2 3.09Å; E203-R206 IonicContact OE2-CZ 3.63Å; E203-R206 IonicContact OE2-NE 3.62Å; E203-R206 PolarHBondContact OE2-NE 3.2Å; E203-R206 IonicContact OE2-NH2 2.77Å; E203-R206 PolarHBondContact OE2-NH2 3.36Å; E203-Y345 HydrophobicContact CG-CE2 4.42Å; E203-Y345 PolarHBondContact OE1-OH 2.98Å; E203-V361 HydrophobicContact CB-CG1 4.23Å; E203-V361 HydrophobicContact CB-CG2 4.29Å; E203-V361 HydrophobicContact CG-CG1 4.16Å
204	S	95.4	Very high	96	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57.6	-29.9	172.7	60.9	0	0	0	0	113.1	G200 F201 R206 V207 F210 F213	G200-S204 WeakPolarHBondContact O-CB 3.43Å; G200-S204 PolarHBondContact O-N 3.32Å; G200-S204 PolarHBondContact O-OG 3.45Å; G200-S204 VanDerWaalsContact O-OG 3.05Å; F201-S204 PolarHBondContact O-OG 3.08Å; S204-R206 PolarHBondContact O-N 2.87Å; S204-V207 PolarHBondContact O-N 3.4Å; S204-F210 VanDerWaalsContact O-CE2 3.31Å; S204-F210 WeakPolarHBondContact O-CE2 2.91Å; S204-F213 WeakPolarHBondContact OG-CE1 3.45Å
205	K	92.8	Very high	96	Very high	66 Å²	66	16.3 Å²	16.3	29%	0.287	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.2	177.5	-59.8	175.9	-173.9	176.3	0	113.8	I202 E203 V207	I202-K205 WeakPolarHBondContact O-CB 3.4Å; I202-K205 WeakPolarHBondContact O-CG 3.34Å; E203-K205 PolarHBondContact O-N 2.93Å; K205-V207 VanDerWaalsContact C-N 3.29Å
206	R	86	Confident	96	Very high	28 Å²	28	16.1 Å²	16.1	11%	0.106	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.1	172.5	-68.1	175.7	-176.2	-79.3	-6.4	114	L43 E203 S204 L347 S350	L43-R206 HydrophobicContact CD2-CG 3.9Å; E203-R206 VanDerWaalsContact O-CB 3.3Å; E203-R206 WeakPolarHBondContact O-CB 3.05Å; E203-R206 VanDerWaalsContact O-CG 3.23Å; E203-R206 WeakPolarHBondContact O-CG 3.45Å; E203-R206 PolarHBondContact O-N 2.85Å; E203-R206 VanDerWaalsContact O-N 3.13Å; E203-R206 IonicContact OE1-NH2 3.09Å; E203-R206 IonicContact OE2-CZ 3.63Å; E203-R206 IonicContact OE2-NE 3.62Å; E203-R206 PolarHBondContact OE2-NE 3.2Å; E203-R206 IonicContact OE2-NH2 2.77Å; E203-R206 PolarHBondContact OE2-NH2 3.36Å; S204-R206 PolarHBondContact O-N 2.87Å; R206-L347 VanDerWaalsContact NH2-CD2 3.29Å; R206-S350 WeakPolarHBondContact CD-OG 3.27Å
207	V	86	Confident	95.9	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.042	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-56.5	-175.2	174.7	0	0	0	0	110.5	V133 L135 F181 S204 K205 F210 Y359	V133-V207 HydrophobicContact CB-CG1 4.05Å; V133-V207 HydrophobicContact CG2-CG1 3.85Å; L135-V207 HydrophobicContact CB-CG1 4.24Å; F181-V207 HydrophobicContact CE1-CB 4.48Å; F181-V207 HydrophobicContact CE1-CG2 3.66Å; F181-V207 HydrophobicContact CZ-CB 3.98Å; F181-V207 HydrophobicContact CZ-CG2 3.62Å; S204-V207 PolarHBondContact O-N 3.4Å; K205-V207 VanDerWaalsContact C-N 3.29Å; V207-F210 HydrophobicContact CB-CE2 4.05Å; V207-F210 HydrophobicContact CB-CZ 4.12Å; V207-F210 HydrophobicContact CG1-CE2 4.45Å; V207-F210 HydrophobicContact CG1-CZ 4.04Å; V207-Y359 HydrophobicContact CG2-CD2 3.52Å; V207-Y359 HydrophobicContact CG2-CE2 3.56Å; V207-Y359 HydrophobicContact CG2-CG 4.17Å
208	T	88.5	Confident	95.9	Very high	35 Å²	35	18.3 Å²	18.3	22%	0.215	9%	0.094	C	C	.	.			trans	-162.1	177.8	177.6	-171	0	0	0	0	109.9	L135 F210	L135-T208 HydrophobicContact CD1-CG2 4.18Å; L135-T208 HydrophobicContact CD2-CG2 4.47Å; T208-F210 HydrophobicContact CG2-CD1 4.05Å; T208-F210 HydrophobicContact CG2-CD2 4.15Å; T208-F210 HydrophobicContact CG2-CE1 3.72Å; T208-F210 HydrophobicContact CG2-CE2 3.79Å; T208-F210 HydrophobicContact CG2-CG 4.28Å; T208-F210 HydrophobicContact CG2-CZ 3.57Å; T208-F210 WeakPolarHBondContact O-CD2 3.31Å; T208-F210 PolarHBondContact O-N 2.92Å
209	N	91.3	Very high	95.9	Very high	109 Å²	109	19 Å²	19	58%	0.583	10%	0.098	S	C	*	.			trans	-75.3	113.7	163.6	-72	-44	0	0	0	109.2	N146	N146-N209 PolarHBondContact ND2-O 2.82Å
210	F	96.4	Very high	95.9	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.013	10%	0.098	C	C	.	.			trans	-93.1	140.9	172	-64.7	-80	0	0	0	110.8	L135 N146 L147 A148 F181 S204 V207 T208 F213	L135-F210 HydrophobicContact CD1-CE1 4.18Å; L135-F210 HydrophobicContact CD1-CZ 4.45Å; N146-F210 HydrophobicContact CB-CD1 3.92Å; L147-F210 WeakPolarHBondContact O-CD1 3.49Å; L147-F210 VanDerWaalsContact O-CE1 3.22Å; L147-F210 WeakPolarHBondContact O-CE1 3.24Å; A148-F210 HydrophobicContact CB-CB 4.02Å; A148-F210 HydrophobicContact CB-CD1 3.81Å; A148-F210 HydrophobicContact CB-CD2 3.91Å; A148-F210 HydrophobicContact CB-CE1 4.21Å; A148-F210 HydrophobicContact CB-CE2 4.3Å; A148-F210 HydrophobicContact CB-CG 3.64Å; A148-F210 HydrophobicContact CB-CZ 4.44Å; F181-F210 HydrophobicContact CE2-CD2 4.46Å; F181-F210 HydrophobicContact CE2-CE1 4.41Å; F181-F210 AromaticContact CE2-CE2 3.63Å; F181-F210 HydrophobicContact CE2-CE2 3.63Å; F181-F210 AromaticContact CE2-CZ 3.59Å; F181-F210 HydrophobicContact CE2-CZ 3.59Å; F181-F210 AromaticContact CZ-CE2 3.58Å; F181-F210 HydrophobicContact CZ-CE2 3.58Å; F181-F210 AromaticContact CZ-CZ 3.72Å; F181-F210 HydrophobicContact CZ-CZ 3.72Å; S204-F210 VanDerWaalsContact O-CE2 3.31Å; S204-F210 WeakPolarHBondContact O-CE2 2.91Å; V207-F210 HydrophobicContact CB-CE2 4.05Å; V207-F210 HydrophobicContact CB-CZ 4.12Å; V207-F210 HydrophobicContact CG1-CE2 4.45Å; V207-F210 HydrophobicContact CG1-CZ 4.04Å; T208-F210 HydrophobicContact CG2-CD1 4.05Å; T208-F210 HydrophobicContact CG2-CD2 4.15Å; T208-F210 HydrophobicContact CG2-CE1 3.72Å; T208-F210 HydrophobicContact CG2-CE2 3.79Å; T208-F210 HydrophobicContact CG2-CG 4.28Å; T208-F210 HydrophobicContact CG2-CZ 3.57Å; T208-F210 WeakPolarHBondContact O-CD2 3.31Å; T208-F210 PolarHBondContact O-N 2.92Å; F210-F213 HydrophobicContact CB-CE1 4.08Å; F210-F213 HydrophobicContact CB-CE2 4.17Å; F210-F213 HydrophobicContact CB-CZ 3.73Å
211	D	97.1	Very high	95.9	Very high	73 Å²	73	19.2 Å²	19.2	39%	0.39	10%	0.099	S	C	.	.	S	Bend	trans	-97.5	-36.9	-179.4	-49.3	-60.9	0	0	0	110.4	E145 N146 T262 K263	E145-D211 HydrophobicContact CB-CB 4.26Å; N146-D211 PolarHBondContact N-OD2 3.34Å; N146-D211 PolarHBondContact O-N 3.01Å; D211-T262 CarbonylContact O-C 3.54Å; D211-T262 WeakPolarHBondContact O-CA 3.39Å; D211-K263 PolarHBondContact O-N 3.46Å
212	C	98.5	Very high	95.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.7	-177.9	-177	0	0	0	0	111.2	N146 L147 A148 C231	N146-C212 PolarHBondContact O-N 3.38Å; L147-C212 WeakPolarHBondContact CA-O 3.46Å; L147-C212 HydrophobicContact CD1-CB 3.51Å; L147-C212 WeakPolarHBondContact CD1-SG 3.45Å; A148-C212 PolarHBondContact N-O 2.57Å; C212-C231 WeakPolarHBondContact CA-SG 3.5Å; C212-C231 HydrophobicContact CB-CB 3.69Å; C212-C231 WeakPolarHBondContact CB-SG 3.44Å; C212-C231 WeakPolarHBondContact SG-CB 3.41Å; C212-C231 PolarHBondContact SG-N 3.19Å; C212-C231 CovalentContact SG-SG 2.03Å; C212-C231 PolarHBondContact SG-SG 3.14Å
213	F	98.9	Very high	95.8	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.5	-178.9	-66.6	-92.6	0	0	0	109.7	A148 I150 F201 S204 F210 F215 A260 F261 K263	A148-F213 HydrophobicContact CB-CD1 3.74Å; A148-F213 HydrophobicContact CB-CE1 3.93Å; A148-F213 WeakPolarHBondContact O-CA 3.25Å; I150-F213 HydrophobicContact CD1-CD1 3.77Å; I150-F213 HydrophobicContact CD1-CE1 4.48Å; F201-F213 AromaticContact CD2-CD1 3.64Å; F201-F213 HydrophobicContact CD2-CD1 3.64Å; F201-F213 HydrophobicContact CD2-CD2 4.17Å; F201-F213 AromaticContact CD2-CE1 3.44Å; F201-F213 HydrophobicContact CD2-CE1 3.44Å; F201-F213 VanDerWaalsContact CD2-CE1 3.44Å; F201-F213 HydrophobicContact CD2-CE2 4.02Å; F201-F213 AromaticContact CD2-CG 3.99Å; F201-F213 HydrophobicContact CD2-CG 3.99Å; F201-F213 AromaticContact CD2-CZ 3.65Å; F201-F213 HydrophobicContact CD2-CZ 3.65Å; F201-F213 HydrophobicContact CE2-CD1 4.29Å; F201-F213 HydrophobicContact CE2-CD2 4.08Å; F201-F213 AromaticContact CE2-CE1 3.88Å; F201-F213 HydrophobicContact CE2-CE1 3.88Å; F201-F213 AromaticContact CE2-CE2 3.68Å; F201-F213 HydrophobicContact CE2-CE2 3.68Å; F201-F213 HydrophobicContact CE2-CG 4.38Å; F201-F213 AromaticContact CE2-CZ 3.55Å; F201-F213 HydrophobicContact CE2-CZ 3.55Å; F201-F213 HydrophobicContact CG-CE1 4.42Å; S204-F213 WeakPolarHBondContact OG-CE1 3.45Å; F210-F213 HydrophobicContact CB-CE1 4.08Å; F210-F213 HydrophobicContact CB-CE2 4.17Å; F210-F213 HydrophobicContact CB-CZ 3.73Å; F213-F215 HydrophobicContact CB-CE2 3.77Å; F213-F215 HydrophobicContact CB-CZ 3.81Å; F213-F215 HydrophobicContact CG-CZ 4.5Å; F213-A260 WeakPolarHBondContact O-CA 3.41Å; F213-F261 PolarHBondContact N-O 2.92Å; F213-F261 PolarHBondContact O-N 3.13Å; F213-K263 HydrophobicContact CD2-CB 4.39Å; F213-K263 HydrophobicContact CE2-CB 3.77Å; F213-K263 HydrophobicContact CE2-CG 3.9Å
214	I	98.9	Very high	95.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.3	173.4	-49.1	-55.4	0	0	0	108.1	L147 A148 V149 I150 H216 Y229 L238 V259 A260	L147-I214 HydrophobicContact CD1-CD1 3.75Å; L147-I214 HydrophobicContact CD1-CG1 3.44Å; L147-I214 VanDerWaalsContact CD1-CG1 3.44Å; L147-I214 HydrophobicContact CD2-CG1 3.92Å; L147-I214 HydrophobicContact CG-CG1 3.87Å; A148-I214 PolarHBondContact O-N 2.81Å; V149-I214 CarbonylContact C-O 3.58Å; V149-I214 WeakPolarHBondContact CA-O 3.44Å; V149-I214 HydrophobicContact CG1-CB 4.47Å; V149-I214 HydrophobicContact CG2-CB 4.27Å; V149-I214 HydrophobicContact CG2-CG1 4.35Å; I150-I214 PolarHBondContact N-O 3.46Å; I214-H216 HydrophobicContact CG2-CB 4.38Å; I214-Y229 HydrophobicContact CG1-CD1 4.17Å; I214-Y229 HydrophobicContact CG2-CD1 3.98Å; I214-Y229 HydrophobicContact CG2-CE1 3.96Å; I214-L238 HydrophobicContact CD1-CD1 4.28Å; I214-L238 HydrophobicContact CG2-CD1 3.6Å; I214-V259 CarbonylContact C-O 3.59Å; I214-V259 WeakPolarHBondContact CA-O 3.33Å; I214-A260 HydrophobicContact CD1-CB 3.39Å
215	F	98.9	Very high	95.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.3	174.1	-56.9	-80.6	0	0	0	108.1	I150 L197 F201 F213 A258 V259 F261 F266 F272	I150-F215 HydrophobicContact CB-CD1 4.08Å; I150-F215 HydrophobicContact CB-CE1 4.45Å; I150-F215 HydrophobicContact CD1-CD1 4.06Å; I150-F215 HydrophobicContact CD1-CE1 3.58Å; I150-F215 HydrophobicContact CD1-CZ 4.29Å; I150-F215 HydrophobicContact CG2-CD1 4.24Å; L197-F215 HydrophobicContact CB-CD1 3.81Å; L197-F215 HydrophobicContact CB-CE1 4.35Å; L197-F215 HydrophobicContact CD1-CB 4.25Å; L197-F215 HydrophobicContact CD2-CB 3.97Å; L197-F215 HydrophobicContact CD2-CD1 3.97Å; L197-F215 HydrophobicContact CD2-CG 4.46Å; L197-F215 HydrophobicContact CG-CD1 4.33Å; F201-F215 HydrophobicContact CB-CE1 4.34Å; F201-F215 HydrophobicContact CB-CZ 4.46Å; F213-F215 HydrophobicContact CB-CE2 3.77Å; F213-F215 HydrophobicContact CB-CZ 3.81Å; F213-F215 HydrophobicContact CG-CZ 4.5Å; F215-A258 CarbonylContact O-C 3.49Å; F215-A258 VanDerWaalsContact O-CA 3.3Å; F215-A258 WeakPolarHBondContact O-CA 3.35Å; F215-V259 HydrophobicContact CB-CG2 3.92Å; F215-V259 HydrophobicContact CD2-CG2 4.17Å; F215-V259 PolarHBondContact N-O 3.32Å; F215-V259 PolarHBondContact O-N 3.05Å; F215-F261 HydrophobicContact CD2-CD2 4.08Å; F215-F261 HydrophobicContact CE2-CB 4.33Å; F215-F261 AromaticContact CE2-CD2 3.99Å; F215-F261 HydrophobicContact CE2-CD2 3.99Å; F215-F266 HydrophobicContact CD2-CD2 4.44Å; F215-F266 HydrophobicContact CD2-CE2 4.22Å; F215-F266 HydrophobicContact CE1-CE1 4.49Å; F215-F266 AromaticContact CE1-CE2 3.84Å; F215-F266 HydrophobicContact CE1-CE2 3.84Å; F215-F266 AromaticContact CE1-CZ 3.81Å; F215-F266 HydrophobicContact CE1-CZ 3.81Å; F215-F266 AromaticContact CE2-CD2 3.34Å; F215-F266 HydrophobicContact CE2-CD2 3.34Å; F215-F266 AromaticContact CE2-CE2 3.33Å; F215-F266 HydrophobicContact CE2-CE2 3.33Å; F215-F266 HydrophobicContact CE2-CG 4.13Å; F215-F266 HydrophobicContact CE2-CZ 4.1Å; F215-F266 HydrophobicContact CZ-CD1 4.16Å; F215-F266 AromaticContact CZ-CD2 3.38Å; F215-F266 HydrophobicContact CZ-CD2 3.38Å; F215-F266 AromaticContact CZ-CE1 3.92Å; F215-F266 HydrophobicContact CZ-CE1 3.92Å; F215-F266 AromaticContact CZ-CE2 3.08Å; F215-F266 HydrophobicContact CZ-CE2 3.08Å; F215-F266 AromaticContact CZ-CG 3.9Å; F215-F266 HydrophobicContact CZ-CG 3.9Å; F215-F266 AromaticContact CZ-CZ 3.37Å; F215-F266 HydrophobicContact CZ-CZ 3.37Å; F215-F272 HydrophobicContact CB-CE2 4.28Å; F215-F272 HydrophobicContact CB-CZ 4.03Å; F215-F272 AromaticContact CD1-CE2 3.79Å; F215-F272 HydrophobicContact CD1-CE2 3.79Å; F215-F272 HydrophobicContact CD1-CZ 4.39Å; F215-F272 HydrophobicContact CD2-CE2 4.07Å; F215-F272 HydrophobicContact CD2-CZ 4.31Å; F215-F272 HydrophobicContact CE1-CE2 4.09Å; F215-F272 HydrophobicContact CE2-CE2 4.37Å; F215-F272 AromaticContact CG-CE2 3.77Å; F215-F272 HydrophobicContact CG-CE2 3.77Å; F215-F272 AromaticContact CG-CZ 3.98Å; F215-F272 HydrophobicContact CG-CZ 3.98Å; F215-F272 HydrophobicContact CZ-CE2 4.38Å
216	H	98.9	Very high	96.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134	-161.5	-155.5	-56.4	0	0	0	112.8	V149 I150 V151 P152 F163 I214 L220 Y229 G257 Y307	V149-H216 HydrophobicContact CG1-CB 4.43Å; I150-H216 PolarHBondContact O-N 3.08Å; V151-H216 WeakPolarHBondContact CA-O 3.18Å; V151-H216 HydrophobicContact CG2-CB 4.45Å; P152-H216 WeakPolarHBondContact CD-O 3.3Å; F163-H216 AromaticContact CE2-CE1 3.74Å; F163-H216 AromaticContact CE2-CG 3.97Å; F163-H216 AromaticContact CE2-ND1 3.5Å; F163-H216 WeakPolarHBondContact CE2-ND1 3.27Å; F163-H216 HydrophobicContact CZ-CB 4.49Å; I214-H216 HydrophobicContact CG2-CB 4.38Å; H216-L220 PolarHBondContact CE1-O 3.26Å; H216-Y229 AromaticContact CD2-CE1 3.72Å; H216-Y229 PolarHBondContact CD2-OH 2.83Å; H216-Y229 AromaticContact NE2-CE1 3.94Å; H216-Y229 AromaticContact NE2-CZ 3.77Å; H216-Y229 PolarHBondContact NE2-OH 3.09Å; H216-G257 CarbonylContact C-O 3.58Å; H216-G257 WeakPolarHBondContact CA-O 3.44Å; H216-Y307 AromaticContact NE2-CE1 3.69Å
217	D	98.4	Very high	96.6	Very high	34 Å²	34	20.3 Å²	20.3	18%	0.182	10%	0.101	C	C	.	.			trans	-73.3	137.7	170.9	-66.8	-7.6	0	0	0	110.8	R193 D219 L220 G257	R193-D217 IonicContact CZ-OD1 3.97Å; R193-D217 IonicContact NE-OD1 3.84Å; R193-D217 PolarHBondContact NE-OD1 2.98Å; R193-D217 IonicContact NE-OD2 2.88Å; R193-D217 IonicContact NH2-OD1 3.95Å; R193-D217 PolarHBondContact NH2-OD1 2.9Å; R193-D217 IonicContact NH2-OD2 3.93Å; D217-D219 WeakPolarHBondContact CB-OD1 3.24Å; D217-D219 PolarHBondContact O-N 2.74Å; D217-L220 HydrophobicContact CB-CD1 4.08Å; D217-L220 HydrophobicContact CB-CG 4.16Å; D217-L220 PolarHBondContact O-N 2.86Å; D217-G257 PolarHBondContact N-O 2.86Å; D217-G257 WeakPolarHBondContact OD2-CA 3.36Å
218	V	98.4	Very high	97	Very high	12 Å²	12	21.1 Å²	21.1	7%	0.073	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.6	-176.3	71.2	0	0	0	0	113.4	V151 R156 H159 L160 F163	V151-V218 HydrophobicContact CG1-CB 3.61Å; V151-V218 HydrophobicContact CG1-CG2 4Å; R156-V218 HydrophobicContact CB-CG1 4.19Å; R156-V218 HydrophobicContact CG-CG1 4.41Å; H159-V218 HydrophobicContact CB-CG1 4.14Å; H159-V218 HydrophobicContact CB-CG2 4.23Å; L160-V218 HydrophobicContact CB-CG2 4.14Å; L160-V218 HydrophobicContact CD1-CG2 4.26Å; F163-V218 HydrophobicContact CB-CG2 4.11Å; F163-V218 WeakPolarHBondContact CB-O 3.4Å; F163-V218 HydrophobicContact CG-CG2 4.31Å
219	D	97.6	Very high	97.5	Very high	15 Å²	15	19.4 Å²	19.4	8%	0.08	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	4.1	-175.8	66.7	-12.3	0	0	0	113.9	D217 M309 I310 H312	D217-D219 WeakPolarHBondContact CB-OD1 3.24Å; D217-D219 PolarHBondContact O-N 2.74Å; D219-M309 CarbonylContact O-C 3.52Å; D219-M309 VanDerWaalsContact O-CA 3.28Å; D219-M309 WeakPolarHBondContact O-CA 3.49Å; D219-I310 HydrophobicContact CB-CB 4.32Å; D219-I310 PolarHBondContact O-N 3.48Å; D219-H312 IonicContact OD2-CD2 2.8Å; D219-H312 PolarHBondContact OD2-CD2 3.5Å; D219-H312 IonicContact OD2-NE2 3.13Å; D219-H312 PolarHBondContact OD2-NE2 2.93Å
220	L	98.6	Very high	97.7	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.6	177.8	-70.8	-178.6	0	0	0	110.7	H216 D217 V242 Y307 M309	H216-L220 PolarHBondContact CE1-O 3.26Å; D217-L220 HydrophobicContact CB-CD1 4.08Å; D217-L220 HydrophobicContact CB-CG 4.16Å; D217-L220 PolarHBondContact O-N 2.86Å; L220-V242 HydrophobicContact CD2-CG1 3.73Å; L220-V242 HydrophobicContact CD2-CG2 4.3Å; L220-Y307 HydrophobicContact CB-CD1 3.82Å; L220-Y307 HydrophobicContact CB-CE1 4.45Å; L220-M309 HydrophobicContact CD2-CB 3.95Å; L220-M309 HydrophobicContact CD2-CE 3.8Å; L220-M309 HydrophobicContact CD2-CG 4.2Å
221	L	98.6	Very high	97.7	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.3	177.7	-55.8	-178.6	0	0	0	110.2	I74 F163 H166 E223 Y307 K308 I310	I74-L221 HydrophobicContact CD1-CB 4.22Å; I74-L221 HydrophobicContact CG2-CD1 3.65Å; F163-L221 HydrophobicContact CB-CD2 4.44Å; F163-L221 HydrophobicContact CD2-CD2 4.22Å; H166-L221 HydrophobicContact CB-CD1 4.4Å; H166-L221 HydrophobicContact CB-CD2 3.89Å; L221-E223 PolarHBondContact O-N 3.11Å; L221-Y307 VanDerWaalsContact C-CD1 3.44Å; L221-Y307 CarbonylContact O-C 3.53Å; L221-Y307 VanDerWaalsContact O-CA 3.27Å; L221-Y307 WeakPolarHBondContact O-CA 3.39Å; L221-K308 HydrophobicContact CB-CB 4.5Å; L221-K308 PolarHBondContact N-O 3.12Å; L221-K308 PolarHBondContact O-N 2.96Å; L221-I310 HydrophobicContact CD1-CD1 3.91Å; L221-I310 HydrophobicContact CD1-CG1 3.92Å; L221-I310 HydrophobicContact CD2-CD1 4.27Å; L221-I310 HydrophobicContact CG-CD1 4.06Å; L221-I310 HydrophobicContact CG-CG1 4.11Å
222	P	98.5	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133	177.8	25.9	-34.7	0	0	0	111.1	H166 M167 F170 Y229 Y307	H166-P222 PolarHBondContact CE1-O 2.97Å; H166-P222 PolarHBondContact NE2-O 3.34Å; M167-P222 HydrophobicContact CE-CG 4.48Å; M167-P222 VanDerWaalsContact SD-CD 3.55Å; M167-P222 HydrophobicContact SD-CG 3.88Å; F170-P222 HydrophobicContact CD1-CG 3.99Å; F170-P222 HydrophobicContact CD2-CB 4.34Å; F170-P222 HydrophobicContact CD2-CG 3.75Å; F170-P222 HydrophobicContact CE1-CB 4.42Å; F170-P222 HydrophobicContact CE1-CG 3.86Å; F170-P222 HydrophobicContact CE2-CB 3.73Å; F170-P222 HydrophobicContact CE2-CG 3.59Å; F170-P222 HydrophobicContact CG-CG 3.93Å; F170-P222 HydrophobicContact CZ-CB 3.78Å; F170-P222 HydrophobicContact CZ-CG 3.64Å; P222-Y229 HydrophobicContact CB-CE2 4.35Å; P222-Y229 HydrophobicContact CG-CE2 4.27Å; P222-Y229 WeakPolarHBondContact CG-OH 3.48Å; P222-Y307 HydrophobicContact CB-CD1 4.31Å; P222-Y307 HydrophobicContact CB-CE1 3.83Å; P222-Y307 HydrophobicContact CB-CE2 4.26Å; P222-Y307 HydrophobicContact CG-CE1 4.29Å
223	E	98.3	Very high	97.6	Very high	13 Å²	13	21.7 Å²	21.7	6%	0.061	12%	0.118	C	C	.	.	S	Bend	trans	-95.7	0.8	-177.9	-60.2	-178.7	176.1	0	0	113.4	R71 L72 I74 L221 Y247 R306 K308	R71-E223 CarbonylContact C-O 3.5Å; R71-E223 WeakPolarHBondContact CA-O 3.33Å; L72-E223 PolarHBondContact N-O 3.25Å; I74-E223 HydrophobicContact CD1-CG 4.15Å; I74-E223 HydrophobicContact CG1-CG 4.07Å; L221-E223 PolarHBondContact O-N 3.11Å; E223-Y247 VanDerWaalsContact CD-OH 3.26Å; E223-Y247 WeakPolarHBondContact OE1-CE1 3.27Å; E223-Y247 PolarHBondContact OE1-OH 3.31Å; E223-Y247 VanDerWaalsContact OE2-CE1 3.27Å; E223-Y247 WeakPolarHBondContact OE2-CE1 3.47Å; E223-Y247 PolarHBondContact OE2-OH 2.94Å; E223-R306 HydrophobicContact CB-CB 3.88Å; E223-R306 HydrophobicContact CG-CB 4.3Å; E223-R306 PolarHBondContact N-O 3.18Å; E223-R306 IonicContact OE2-CZ 2.67Å; E223-R306 IonicContact OE2-NE 3.9Å; E223-R306 PolarHBondContact OE2-NE 2.92Å; E223-R306 VanDerWaalsContact OE2-NE 3.12Å; E223-R306 IonicContact OE2-NH2 3.69Å; E223-K308 HydrophobicContact CG-CB 4.17Å; E223-K308 PolarHBondContact OE1-N 3.18Å
224	D	97.6	Very high	97.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-142.8	122.2	-177.6	-160	-65	0	0	0	111.2	G70 R71 F170 R226 N227 I304	G70-D224 VanDerWaalsContact C-CG 3.43Å; G70-D224 VanDerWaalsContact C-OD2 3.31Å; G70-D224 WeakPolarHBondContact CA-OD1 3.44Å; G70-D224 WeakPolarHBondContact O-CA 3.32Å; R71-D224 PolarHBondContact N-OD2 3.15Å; F170-D224 WeakPolarHBondContact CE2-O 3.45Å; D224-R226 PolarHBondContact O-N 2.92Å; D224-R226 WeakPolarHBondContact OD1-CB 3.04Å; D224-R226 WeakPolarHBondContact OD1-CG 3.45Å; D224-R226 IonicContact OD1-CZ 3.12Å; D224-R226 PolarHBondContact OD1-N 3.42Å; D224-R226 IonicContact OD1-NE 3.45Å; D224-R226 PolarHBondContact OD1-NE 2.84Å; D224-R226 IonicContact OD1-NH2 3.94Å; D224-R226 IonicContact OD2-CZ 3.73Å; D224-R226 IonicContact OD2-NE 3Å; D224-R226 PolarHBondContact OD2-NE 2.89Å; D224-R226 IonicContact OD2-NH2 3.25Å; D224-R226 PolarHBondContact OD2-NH2 3.5Å; D224-N227 VanDerWaalsContact O-CB 3.23Å; D224-N227 WeakPolarHBondContact O-CB 3.46Å; D224-N227 PolarHBondContact O-N 3.25Å; D224-I304 WeakPolarHBondContact CB-O 3.48Å
225	D	95.8	Very high	97.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	0.9	-176.5	68.4	2	0	0	0	114.7	N65 A68 I69 G70 L72 F170 N227	N65-D225 PolarHBondContact ND2-O 2.82Å; A68-D225 WeakPolarHBondContact CA-OD1 3.3Å; I69-D225 VanDerWaalsContact N-CG 3.31Å; I69-D225 PolarHBondContact N-OD1 3.35Å; I69-D225 PolarHBondContact N-OD2 2.77Å; G70-D225 WeakPolarHBondContact CA-OD1 3.05Å; G70-D225 PolarHBondContact N-OD1 3.27Å; G70-D225 PolarHBondContact O-N 3.34Å; G70-D225 VanDerWaalsContact O-N 3.09Å; L72-D225 HydrophobicContact CD1-CB 4.1Å; L72-D225 HydrophobicContact CD2-CB 4.09Å; L72-D225 HydrophobicContact CG-CB 4.28Å; F170-D225 HydrophobicContact CE2-CB 4.34Å; D225-N227 VanDerWaalsContact C-N 3.29Å
226	R	96.2	Very high	97.5	Very high	118 Å²	118	25 Å²	25	45%	0.445	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.9	164.7	-57.1	170.3	-68.3	174.4	0.6	111.9	A68 D224 S228 I304	A68-R226 HydrophobicContact CB-CG 3.75Å; D224-R226 PolarHBondContact O-N 2.92Å; D224-R226 WeakPolarHBondContact OD1-CB 3.04Å; D224-R226 WeakPolarHBondContact OD1-CG 3.45Å; D224-R226 IonicContact OD1-CZ 3.12Å; D224-R226 PolarHBondContact OD1-N 3.42Å; D224-R226 IonicContact OD1-NE 3.45Å; D224-R226 PolarHBondContact OD1-NE 2.84Å; D224-R226 IonicContact OD1-NH2 3.94Å; D224-R226 IonicContact OD2-CZ 3.73Å; D224-R226 IonicContact OD2-NE 3Å; D224-R226 PolarHBondContact OD2-NE 2.89Å; D224-R226 IonicContact OD2-NH2 3.25Å; D224-R226 PolarHBondContact OD2-NH2 3.5Å; R226-S228 PolarHBondContact O-N 2.87Å; R226-I304 HydrophobicContact CB-CG1 4.4Å; R226-I304 HydrophobicContact CB-CG2 4.05Å
227	N	97.1	Very high	97.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-72.9	92.8	174.4	-165.8	-3.4	0	0	0	110.6	F170 Q174 D224 D225 Y229 R236 L238 I304 Y307	F170-N227 HydrophobicContact CZ-CB 4.32Å; F170-N227 WeakPolarHBondContact CZ-O 3.39Å; Q174-N227 PolarHBondContact NE2-O 2.88Å; D224-N227 VanDerWaalsContact O-CB 3.23Å; D224-N227 WeakPolarHBondContact O-CB 3.46Å; D224-N227 PolarHBondContact O-N 3.25Å; D225-N227 VanDerWaalsContact C-N 3.29Å; N227-Y229 WeakPolarHBondContact O-CD2 3.13Å; N227-Y229 PolarHBondContact O-N 3.48Å; N227-R236 VanDerWaalsContact OD1-CZ 3.28Å; N227-R236 PolarHBondContact OD1-NH1 2.94Å; N227-R236 PolarHBondContact OD1-NH2 3.1Å; N227-L238 PolarHBondContact ND2-O 2.7Å; N227-I304 HydrophobicContact CB-CG2 4.05Å; N227-I304 WeakPolarHBondContact CB-O 3.46Å; N227-Y307 VanDerWaalsContact ND2-CE2 3.3Å; N227-Y307 WeakPolarHBondContact ND2-CE2 3.07Å; N227-Y307 PolarHBondContact ND2-OH 2.87Å
228	S	95.6	Very high	97.5	Very high	23 Å²	23	23.5 Å²	23.5	16%	0.161	13%	0.125	C	C	.	.			trans	-68.4	116.7	-173	-175.4	0	0	0	0	113.5	R226 R230 R236	R226-S228 PolarHBondContact O-N 2.87Å; S228-R230 PolarHBondContact O-N 2.96Å; S228-R230 WeakPolarHBondContact OG-CG 3.25Å; S228-R236 PolarHBondContact O-NH1 2.75Å
229	Y	97.2	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.			trans	-86	58.3	175.1	-87.7	-132.9	0	0	0	110.6	M167 F170 L171 I214 H216 P222 N227 L238 Y307	M167-Y229 HydrophobicContact CE-CD1 4.02Å; M167-Y229 HydrophobicContact CE-CE1 3.3Å; F170-Y229 HydrophobicContact CD1-CE2 4.43Å; F170-Y229 HydrophobicContact CE1-CD1 4.49Å; F170-Y229 AromaticContact CE1-CD2 3.41Å; F170-Y229 HydrophobicContact CE1-CD2 3.41Å; F170-Y229 VanDerWaalsContact CE1-CD2 3.41Å; F170-Y229 AromaticContact CE1-CE2 3.41Å; F170-Y229 HydrophobicContact CE1-CE2 3.41Å; F170-Y229 VanDerWaalsContact CE1-CE2 3.41Å; F170-Y229 AromaticContact CE1-CG 3.94Å; F170-Y229 HydrophobicContact CE1-CG 3.94Å; F170-Y229 AromaticContact CE1-CZ 4Å; F170-Y229 AromaticContact CZ-CD2 3.94Å; F170-Y229 HydrophobicContact CZ-CD2 3.94Å; F170-Y229 AromaticContact CZ-CE2 3.77Å; F170-Y229 HydrophobicContact CZ-CE2 3.77Å; L171-Y229 HydrophobicContact CD2-CD1 3.7Å; L171-Y229 HydrophobicContact CD2-CG 3.92Å; I214-Y229 HydrophobicContact CG1-CD1 4.17Å; I214-Y229 HydrophobicContact CG2-CD1 3.98Å; I214-Y229 HydrophobicContact CG2-CE1 3.96Å; H216-Y229 AromaticContact CD2-CE1 3.72Å; H216-Y229 PolarHBondContact CD2-OH 2.83Å; H216-Y229 AromaticContact NE2-CE1 3.94Å; H216-Y229 AromaticContact NE2-CZ 3.77Å; H216-Y229 PolarHBondContact NE2-OH 3.09Å; P222-Y229 HydrophobicContact CB-CE2 4.35Å; P222-Y229 HydrophobicContact CG-CE2 4.27Å; P222-Y229 WeakPolarHBondContact CG-OH 3.48Å; N227-Y229 WeakPolarHBondContact O-CD2 3.13Å; N227-Y229 PolarHBondContact O-N 3.48Å; Y229-L238 HydrophobicContact CD1-CD1 4.39Å; Y229-L238 HydrophobicContact CD2-CD1 4.45Å; Y229-L238 HydrophobicContact CE1-CD1 4.21Å; Y229-L238 HydrophobicContact CE2-CD1 4.32Å; Y229-Y307 VanDerWaalsContact CE2-OH 3.28Å; Y229-Y307 WeakPolarHBondContact CE2-OH 3.48Å; Y229-Y307 VanDerWaalsContact CZ-OH 3.32Å; Y229-Y307 WeakPolarHBondContact OH-CE1 3.38Å; Y229-Y307 PolarHBondContact OH-OH 3.4Å
230	R	95.6	Very high	97.6	Very high	20 Å²	20	22.8 Å²	22.8	8%	0.075	12%	0.121	C	C	.	.			trans	-124.3	157.4	177.1	-61.3	-169.8	176.7	-83.6	2	109.9	P62 R63 E145 Q174 L176 S228	P62-R230 PolarHBondContact O-NH2 2.93Å; R63-R230 PolarHBondContact O-NE 3.13Å; E145-R230 WeakPolarHBondContact OE1-CB 3.41Å; E145-R230 VanDerWaalsContact OE1-CD 3.25Å; E145-R230 WeakPolarHBondContact OE1-CD 3.47Å; E145-R230 WeakPolarHBondContact OE1-CG 3.4Å; E145-R230 IonicContact OE1-CZ 2.83Å; E145-R230 IonicContact OE1-NE 3.41Å; E145-R230 IonicContact OE1-NH1 2.69Å; E145-R230 PolarHBondContact OE1-NH1 3.12Å; Q174-R230 PolarHBondContact O-NH2 2.96Å; L176-R230 HydrophobicContact CD2-CG 3.83Å; L176-R230 VanDerWaalsContact CD2-NH1 3.31Å; S228-R230 PolarHBondContact O-N 2.96Å; S228-R230 WeakPolarHBondContact OG-CG 3.25Å
231	C	97.4	Very high	97.5	Very high	27 Å²	27	22.7 Å²	22.7	18%	0.182	12%	0.121	C	C	.	.			trans	-92.3	148.7	174.7	-71.7	0	0	0	0	110.9	E145 C212 F261 T262	E145-C231 PolarHBondContact OE2-N 3.27Å; C212-C231 WeakPolarHBondContact CA-SG 3.5Å; C212-C231 HydrophobicContact CB-CB 3.69Å; C212-C231 WeakPolarHBondContact CB-SG 3.44Å; C212-C231 WeakPolarHBondContact SG-CB 3.41Å; C212-C231 PolarHBondContact SG-N 3.19Å; C212-C231 CovalentContact SG-SG 2.03Å; C212-C231 PolarHBondContact SG-SG 3.14Å; C231-F261 PolarHBondContact SG-O 3.39Å; C231-T262 HydrophobicContact CB-CG2 3.72Å
232	G	95.5	Very high	97.5	Very high	36 Å²	36	23 Å²	23	37%	0.371	12%	0.122	S	C	.	.			trans	-125.2	-170.6	172.9	0	0	0	0	0	111.1	Q234 Q265	G232-Q234 PolarHBondContact O-N 2.97Å; G232-Q234 VanDerWaalsContact O-N 3.09Å; G232-Q265 PolarHBondContact O-NE2 3.25Å
233	D	97.3	Very high	97.5	Very high	150 Å²	150	24.3 Å²	24.3	80%	0.802	13%	0.13	S	C	*	.	S	Bend	trans	-67.2	-12.8	-176.4	-58.2	-31.6	0	0	0	114	Q265	D233-Q265 PolarHBondContact O-NE2 3.4Å
234	Q	98.6	Very high	97.4	Very high	61 Å²	61	29.7 Å²	29.7	29%	0.285	15%	0.153	S	C	.	.	S	Bend	trans	-127.9	146.3	177	-63.8	-65.7	-31	0	0	110.2	G232 R236 S296 V298	G232-Q234 PolarHBondContact O-N 2.97Å; G232-Q234 VanDerWaalsContact O-N 3.09Å; Q234-R236 PolarHBondContact O-N 3.32Å; Q234-S296 PolarHBondContact OE1-O 3.19Å; Q234-S296 VanDerWaalsContact OE1-O 3.13Å; Q234-S296 PolarHBondContact OE1-OG 3.35Å; Q234-V298 HydrophobicContact CB-CG2 3.65Å; Q234-V298 HydrophobicContact CG-CG2 4.27Å
235	P	98.7	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.			trans	-52.9	138.6	170.1	-27.1	36.2	0	0	0	111.7	F255 A260 F261 Q265 V290 Y295 I297 V298	P235-F255 HydrophobicContact CB-CZ 3.86Å; P235-A260 WeakPolarHBondContact CA-O 3.42Å; P235-F261 HydrophobicContact CB-CD1 3.92Å; P235-F261 HydrophobicContact CB-CE1 3.66Å; P235-F261 HydrophobicContact CB-CE2 4.43Å; P235-F261 HydrophobicContact CB-CG 4.42Å; P235-F261 HydrophobicContact CB-CZ 3.97Å; P235-F261 HydrophobicContact CG-CD1 3.75Å; P235-F261 HydrophobicContact CG-CE1 3.51Å; P235-F261 HydrophobicContact CG-CZ 4.27Å; P235-Q265 HydrophobicContact CG-CB 4.46Å; P235-V290 HydrophobicContact CG-CG1 4.18Å; P235-V290 HydrophobicContact CG-CG2 4.45Å; P235-Y295 HydrophobicContact CG-CG 4.24Å; P235-I297 CarbonylContact O-C 3.45Å; P235-I297 WeakPolarHBondContact O-CA 3.42Å; P235-V298 PolarHBondContact O-N 3.43Å
236	R	98.5	Very high	97.3	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.038	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131	-173.8	-171.4	176.9	179.2	-106.7	-19.4	111.1	N227 S228 Q234 L238 V259 A260 V298	N227-R236 VanDerWaalsContact OD1-CZ 3.28Å; N227-R236 PolarHBondContact OD1-NH1 2.94Å; N227-R236 PolarHBondContact OD1-NH2 3.1Å; S228-R236 PolarHBondContact O-NH1 2.75Å; Q234-R236 PolarHBondContact O-N 3.32Å; R236-L238 HydrophobicContact CB-CD2 4.42Å; R236-L238 HydrophobicContact CG-CD2 3.98Å; R236-V259 CarbonylContact O-C 3.55Å; R236-V259 VanDerWaalsContact O-CA 3.26Å; R236-V259 WeakPolarHBondContact O-CA 3.36Å; R236-A260 HydrophobicContact CB-CB 4.15Å; R236-A260 PolarHBondContact N-O 2.89Å; R236-A260 PolarHBondContact O-N 2.95Å; R236-V298 WeakPolarHBondContact CA-O 3.21Å; R236-V298 HydrophobicContact CG-CB 4.48Å; R236-V298 HydrophobicContact CG-CG1 4.49Å; R236-V298 WeakPolarHBondContact CG-O 3.47Å
237	H	98.7	Very high	97.4	Very high	3 Å²	3	37 Å²	37	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.1	167.8	-177.2	-136.6	0	0	0	108.3	S239 V240 F255 G256 V298 R299	H237-S239 PolarHBondContact CE1-O 2.82Å; H237-S239 VanDerWaalsContact CE1-O 3.25Å; H237-S239 PolarHBondContact NE2-O 2.85Å; H237-S239 PolarHBondContact NE2-OG 3.38Å; H237-V240 WeakPolarHBondContact O-CG2 3.46Å; H237-F255 HydrophobicContact CB-CD2 3.75Å; H237-F255 HydrophobicContact CB-CE2 3.82Å; H237-G256 PolarHBondContact CD2-O 2.99Å; H237-G256 PolarHBondContact NE2-O 3.34Å; H237-V298 PolarHBondContact N-O 2.74Å; H237-R299 HydrophobicContact CB-CG 3.89Å; H237-R299 PolarHBondContact ND1-NE 3.07Å
238	L	98.7	Very high	97.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.			trans	-81.3	-42.6	-174.3	-51.4	172.6	0	0	0	110.9	I214 N227 Y229 R236 V240 A258 A260 S305 Y307	I214-L238 HydrophobicContact CD1-CD1 4.28Å; I214-L238 HydrophobicContact CG2-CD1 3.6Å; N227-L238 PolarHBondContact ND2-O 2.7Å; Y229-L238 HydrophobicContact CD1-CD1 4.39Å; Y229-L238 HydrophobicContact CD2-CD1 4.45Å; Y229-L238 HydrophobicContact CE1-CD1 4.21Å; Y229-L238 HydrophobicContact CE2-CD1 4.32Å; R236-L238 HydrophobicContact CB-CD2 4.42Å; R236-L238 HydrophobicContact CG-CD2 3.98Å; L238-V240 PolarHBondContact O-N 3.42Å; L238-A258 WeakPolarHBondContact CA-O 3.11Å; L238-A258 HydrophobicContact CB-CB 3.91Å; L238-A258 VanDerWaalsContact CB-O 3.27Å; L238-A258 WeakPolarHBondContact CB-O 3.32Å; L238-A258 HydrophobicContact CD1-CB 4.07Å; L238-A258 HydrophobicContact CG-CB 4.47Å; L238-A258 PolarHBondContact N-O 3.34Å; L238-A260 HydrophobicContact CD1-CB 4.42Å; L238-A260 HydrophobicContact CD2-CB 4.21Å; L238-A260 HydrophobicContact CG-CB 4.46Å; L238-S305 WeakPolarHBondContact O-CB 3.19Å; L238-Y307 WeakPolarHBondContact CB-OH 3.41Å; L238-Y307 WeakPolarHBondContact O-CE2 3.44Å
239	S	98.3	Very high	97.3	Very high	5 Å²	5	46.2 Å²	46.2	4%	0.035	23%	0.227	C	C	.	.			trans	-91.8	60.9	-174.1	55.8	0	0	0	0	113.7	H237 G256 A258 Y307	H237-S239 PolarHBondContact CE1-O 2.82Å; H237-S239 VanDerWaalsContact CE1-O 3.25Å; H237-S239 PolarHBondContact NE2-O 2.85Å; H237-S239 PolarHBondContact NE2-OG 3.38Å; S239-G256 PolarHBondContact OG-O 2.74Å; S239-A258 PolarHBondContact N-O 3.36Å; S239-A258 PolarHBondContact OG-N 3.48Å; S239-Y307 VanDerWaalsContact CA-CE2 3.47Å
240	V	98	Very high	97.2	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.042	25%	0.246	C	C	.	.			trans	-68.2	-43.7	-176.8	-177	0	0	0	0	112.2	H237 L238 L249 R299 E302 S305	H237-V240 WeakPolarHBondContact O-CG2 3.46Å; L238-V240 PolarHBondContact O-N 3.42Å; V240-L249 HydrophobicContact CG1-CD1 4.12Å; V240-R299 HydrophobicContact CG2-CB 3.8Å; V240-R299 HydrophobicContact CG2-CG 3.77Å; V240-E302 HydrophobicContact CG1-CG 4.2Å; V240-S305 PolarHBondContact N-O 2.77Å
241	A	98	Very high	97.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	95.2	-171.5	0	0	0	0	0	110.1	Y247 E302 S305 R306 Y307	A241-Y247 HydrophobicContact CB-CD1 4.34Å; A241-Y247 VanDerWaalsContact CB-O 3.31Å; A241-Y247 WeakPolarHBondContact CB-O 3.45Å; A241-Y247 WeakPolarHBondContact O-CD1 3.4Å; A241-E302 HydrophobicContact CB-CB 4Å; A241-E302 HydrophobicContact CB-CG 4.28Å; A241-S305 PolarHBondContact N-O 3.44Å; A241-R306 HydrophobicContact CB-CG 4.37Å; A241-R306 CarbonylContact O-C 3.59Å; A241-R306 VanDerWaalsContact O-CA 3.25Å; A241-R306 WeakPolarHBondContact O-CA 3.2Å; A241-Y307 PolarHBondContact O-N 2.75Å
242	V	98.3	Very high	97.2	Very high	8 Å²	8	58 Å²	58	5%	0.048	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.6	-179.5	-172.5	0	0	0	0	110.5	L220 K244 F245 Y247 Y307 M309	L220-V242 HydrophobicContact CD2-CG1 3.73Å; L220-V242 HydrophobicContact CD2-CG2 4.3Å; V242-K244 VanDerWaalsContact C-N 3.28Å; V242-K244 HydrophobicContact CG1-CB 4.38Å; V242-K244 PolarHBondContact O-N 3.05Å; V242-F245 HydrophobicContact CB-CD2 3.91Å; V242-F245 HydrophobicContact CB-CE2 4.41Å; V242-F245 HydrophobicContact CG2-CD2 4.5Å; V242-F245 CarbonylContact O-C 3.49Å; V242-F245 PolarHBondContact O-N 3.19Å; V242-Y247 WeakPolarHBondContact O-CA 3.26Å; V242-Y247 PolarHBondContact O-N 3.39Å; V242-Y307 WeakPolarHBondContact CA-O 3.39Å; V242-M309 HydrophobicContact CG1-CB 3.95Å; V242-M309 HydrophobicContact CG1-CE 4.2Å
243	D	97.2	Very high	97.3	Very high	28 Å²	28	60.1 Å²	60.1	15%	0.15	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-54.6	-39.6	-177	77.8	-42.7	0	0	0	114	F245 N246 Y247 Y307 K308 M309	D243-F245 PolarHBondContact O-N 3.18Å; D243-F245 VanDerWaalsContact O-N 3.1Å; D243-N246 WeakPolarHBondContact O-CA 3.23Å; D243-N246 PolarHBondContact O-N 3.07Å; D243-Y247 HydrophobicContact CB-CD2 4.41Å; D243-Y247 HydrophobicContact CB-CE1 3.77Å; D243-Y247 HydrophobicContact CB-CE2 3.65Å; D243-Y247 WeakPolarHBondContact CB-OH 3.48Å; D243-Y307 PolarHBondContact N-O 3.36Å; D243-K308 HydrophobicContact CB-CD 4.47Å; D243-K308 VanDerWaalsContact OD2-CD 3.27Å; D243-K308 WeakPolarHBondContact OD2-CD 3.47Å; D243-K308 WeakPolarHBondContact OD2-CE 3.2Å; D243-K308 IonicContact OD2-NZ 2.68Å; D243-K308 PolarHBondContact OD2-NZ 2.95Å; D243-M309 WeakPolarHBondContact OD1-CB 3.38Å; D243-M309 PolarHBondContact OD1-N 3.41Å
244	K	96.1	Very high	97.3	Very high	126 Å²	126	54 Å²	54	55%	0.548	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-55.3	-28	175.7	179.7	172.3	177.2	-179.7	0	113.3	V242 M309	V242-K244 VanDerWaalsContact C-N 3.28Å; V242-K244 HydrophobicContact CG1-CB 4.38Å; V242-K244 PolarHBondContact O-N 3.05Å; K244-M309 HydrophobicContact CB-CB 4.41Å; K244-M309 HydrophobicContact CB-SD 4.21Å; K244-M309 HydrophobicContact CD-CE 3.97Å; K244-M309 HydrophobicContact CD-SD 3.23Å; K244-M309 WeakPolarHBondContact CD-SD 3.44Å; K244-M309 HydrophobicContact CG-SD 4.36Å
245	F	95.7	Very high	97.3	Very high	85 Å²	85	51.1 Å²	51.1	37%	0.373	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-104.7	26.3	178	-51.5	-59.6	0	0	0	111.8	V242 D243 Y247 R248 P250	V242-F245 HydrophobicContact CB-CD2 3.91Å; V242-F245 HydrophobicContact CB-CE2 4.41Å; V242-F245 HydrophobicContact CG2-CD2 4.5Å; V242-F245 CarbonylContact O-C 3.49Å; V242-F245 PolarHBondContact O-N 3.19Å; D243-F245 PolarHBondContact O-N 3.18Å; D243-F245 VanDerWaalsContact O-N 3.1Å; F245-Y247 PolarHBondContact O-N 3.43Å; F245-R248 PolarHBondContact O-N 3.18Å; F245-R248 VanDerWaalsContact O-N 3.11Å; F245-P250 HydrophobicContact CB-CG 4.07Å; F245-P250 HydrophobicContact CD1-CG 4.09Å; F245-P250 HydrophobicContact CD2-CG 3.59Å; F245-P250 HydrophobicContact CE1-CG 4.45Å; F245-P250 HydrophobicContact CE2-CG 4.02Å; F245-P250 HydrophobicContact CG-CG 3.65Å; F245-P250 HydrophobicContact CZ-CG 4.42Å
246	N	97.1	Very high	97.2	Very high	135 Å²	135	51.3 Å²	51.3	72%	0.722	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	35.5	-175.1	-61.4	-45.2	0	0	0	112.8	D243 R248	D243-N246 WeakPolarHBondContact O-CA 3.23Å; D243-N246 PolarHBondContact O-N 3.07Å; N246-R248 PolarHBondContact O-N 3.28Å
247	Y	97.7	Very high	97.2	Very high	53 Å²	53	51.4 Å²	51.4	21%	0.208	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	28.5	-178.1	-61	-82.3	0	0	0	114.6	E223 A241 V242 D243 F245 R306	E223-Y247 VanDerWaalsContact CD-OH 3.26Å; E223-Y247 WeakPolarHBondContact OE1-CE1 3.27Å; E223-Y247 PolarHBondContact OE1-OH 3.31Å; E223-Y247 VanDerWaalsContact OE2-CE1 3.27Å; E223-Y247 WeakPolarHBondContact OE2-CE1 3.47Å; E223-Y247 PolarHBondContact OE2-OH 2.94Å; A241-Y247 HydrophobicContact CB-CD1 4.34Å; A241-Y247 VanDerWaalsContact CB-O 3.31Å; A241-Y247 WeakPolarHBondContact CB-O 3.45Å; A241-Y247 WeakPolarHBondContact O-CD1 3.4Å; V242-Y247 WeakPolarHBondContact O-CA 3.26Å; V242-Y247 PolarHBondContact O-N 3.39Å; D243-Y247 HydrophobicContact CB-CD2 4.41Å; D243-Y247 HydrophobicContact CB-CE1 3.77Å; D243-Y247 HydrophobicContact CB-CE2 3.65Å; D243-Y247 WeakPolarHBondContact CB-OH 3.48Å; F245-Y247 PolarHBondContact O-N 3.43Å; Y247-R306 HydrophobicContact CD1-CB 4.24Å; Y247-R306 HydrophobicContact CD1-CG 4.21Å; Y247-R306 VanDerWaalsContact CD1-NH2 3.29Å; Y247-R306 HydrophobicContact CE1-CB 4.19Å; Y247-R306 VanDerWaalsContact CG-NH1 3.32Å
248	R	95.6	Very high	97.2	Very high	179 Å²	179	51.2 Å²	51.2	68%	0.675	25%	0.247	S	C	*	.	S	Bend	trans	-111.2	147.5	173.8	-64.8	-179.4	179.9	179.8	-0.8	110.3	F245 N246 P250	F245-R248 PolarHBondContact O-N 3.18Å; F245-R248 VanDerWaalsContact O-N 3.11Å; N246-R248 PolarHBondContact O-N 3.28Å; R248-P250 VanDerWaalsContact O-CD 3.26Å; R248-P250 WeakPolarHBondContact O-CD 3.42Å
249	L	96.2	Very high	97.2	Very high	38 Å²	38	51.3 Å²	51.3	20%	0.199	25%	0.248	C	C	.	.			trans	-64.7	119.3	169.3	-166.6	72.8	0	0	0	109.6	V240 Y251 I254	V240-L249 HydrophobicContact CG1-CD1 4.12Å; L249-Y251 VanDerWaalsContact C-N 3.33Å; L249-Y251 WeakPolarHBondContact CG-O 3.26Å; L249-Y251 PolarHBondContact O-N 3.02Å; L249-I254 HydrophobicContact CD1-CG2 3.26Å; L249-I254 HydrophobicContact CD2-CG2 4.42Å; L249-I254 HydrophobicContact CG-CG2 3.76Å
250	P	95.1	Very high	97.2	Very high	60 Å²	60	51.1 Å²	51.1	39%	0.39	25%	0.247	S	C	.	.	S	Bend	trans	-61.8	-37.7	-175.4	-28.2	37.2	0	0	0	114.2	F245 R248 I254	F245-P250 HydrophobicContact CB-CG 4.07Å; F245-P250 HydrophobicContact CD1-CG 4.09Å; F245-P250 HydrophobicContact CD2-CG 3.59Å; F245-P250 HydrophobicContact CE1-CG 4.45Å; F245-P250 HydrophobicContact CE2-CG 4.02Å; F245-P250 HydrophobicContact CG-CG 3.65Å; F245-P250 HydrophobicContact CZ-CG 4.42Å; R248-P250 VanDerWaalsContact O-CD 3.26Å; R248-P250 WeakPolarHBondContact O-CD 3.42Å; P250-I254 HydrophobicContact CB-CD1 4.29Å; P250-I254 HydrophobicContact CG-CD1 3.9Å
251	Y	96.7	Very high	97.3	Very high	96 Å²	96	50.8 Å²	50.8	38%	0.376	25%	0.245	S	C	.	.	S	Bend	trans	-160.7	157.7	175.1	55.8	-87.1	0	0	0	110.2	L249 N253 I254 D284	L249-Y251 VanDerWaalsContact C-N 3.33Å; L249-Y251 WeakPolarHBondContact CG-O 3.26Å; L249-Y251 PolarHBondContact O-N 3.02Å; Y251-N253 VanDerWaalsContact C-N 3.3Å; Y251-N253 HydrophobicContact CD2-CB 4.19Å; Y251-N253 HydrophobicContact CE2-CB 4.33Å; Y251-N253 PolarHBondContact O-N 3.05Å; Y251-I254 HydrophobicContact CD1-CB 4.28Å; Y251-I254 HydrophobicContact CD2-CB 3.96Å; Y251-I254 HydrophobicContact CE1-CB 3.91Å; Y251-I254 HydrophobicContact CE1-CD1 3.97Å; Y251-I254 HydrophobicContact CE1-CG1 4.05Å; Y251-I254 VanDerWaalsContact CE2-CA 3.45Å; Y251-I254 HydrophobicContact CE2-CB 3.59Å; Y251-I254 HydrophobicContact CE2-CG1 4.3Å; Y251-I254 HydrophobicContact CG-CB 4.29Å; Y251-I254 WeakPolarHBondContact O-CG2 3.36Å; Y251-I254 PolarHBondContact O-N 2.84Å; Y251-D284 WeakPolarHBondContact CE2-OD1 3.4Å; Y251-D284 PolarHBondContact OH-OD1 3.07Å; Y251-D284 PolarHBondContact OH-OD2 2.81Å
252	L	96.2	Very high	97.3	Very high	138 Å²	138	52 Å²	52	72%	0.723	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.1	-168.8	-68.8	176.3	0	0	0	114.9	R299	L252-R299 VanDerWaalsContact O-CZ 3.26Å; L252-R299 PolarHBondContact O-NH1 3.47Å; L252-R299 PolarHBondContact O-NH2 2.75Å
253	N	96.7	Very high	97.3	Very high	80 Å²	80	54.3 Å²	54.3	43%	0.428	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.7	-175	-67.4	-9.3	0	0	0	113.7	Y251 F255 Y287	Y251-N253 VanDerWaalsContact C-N 3.3Å; Y251-N253 HydrophobicContact CD2-CB 4.19Å; Y251-N253 HydrophobicContact CE2-CB 4.33Å; Y251-N253 PolarHBondContact O-N 3.05Å; N253-F255 PolarHBondContact O-N 3.22Å; N253-Y287 HydrophobicContact CB-CD1 3.74Å; N253-Y287 HydrophobicContact CB-CE1 3.53Å; N253-Y287 HydrophobicContact CB-CG 4.38Å; N253-Y287 WeakPolarHBondContact O-CD2 3.38Å; N253-Y287 VanDerWaalsContact O-CG 3.25Å; N253-Y287 WeakPolarHBondContact OD1-CE1 3.38Å; N253-Y287 PolarHBondContact OD1-OH 3.5Å
254	I	97.2	Very high	97.4	Very high	22 Å²	22	58.9 Å²	58.9	11%	0.113	28%	0.282	C	S	.	.			trans	-61.2	129.7	-178	-166.5	173.3	0	0	0	111.1	L249 P250 Y251 R299	L249-I254 HydrophobicContact CD1-CG2 3.26Å; L249-I254 HydrophobicContact CD2-CG2 4.42Å; L249-I254 HydrophobicContact CG-CG2 3.76Å; P250-I254 HydrophobicContact CB-CD1 4.29Å; P250-I254 HydrophobicContact CG-CD1 3.9Å; Y251-I254 HydrophobicContact CD1-CB 4.28Å; Y251-I254 HydrophobicContact CD2-CB 3.96Å; Y251-I254 HydrophobicContact CE1-CB 3.91Å; Y251-I254 HydrophobicContact CE1-CD1 3.97Å; Y251-I254 HydrophobicContact CE1-CG1 4.05Å; Y251-I254 VanDerWaalsContact CE2-CA 3.45Å; Y251-I254 HydrophobicContact CE2-CB 3.59Å; Y251-I254 HydrophobicContact CE2-CG1 4.3Å; Y251-I254 HydrophobicContact CG-CB 4.29Å; Y251-I254 WeakPolarHBondContact O-CG2 3.36Å; Y251-I254 PolarHBondContact O-N 2.84Å; I254-R299 PolarHBondContact O-NH2 2.99Å
255	F	98.2	Very high	97.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.257	C	S	.	.			trans	-144.8	47.8	-177.9	-164.5	-119.6	0	0	0	111.3	P235 H237 N253 V259 F261 L286 Y287 V290 I297	P235-F255 HydrophobicContact CB-CZ 3.86Å; H237-F255 HydrophobicContact CB-CD2 3.75Å; H237-F255 HydrophobicContact CB-CE2 3.82Å; N253-F255 PolarHBondContact O-N 3.22Å; F255-V259 HydrophobicContact CD1-CG1 4.11Å; F255-V259 HydrophobicContact CD2-CG1 3.73Å; F255-V259 HydrophobicContact CE1-CB 4.14Å; F255-V259 HydrophobicContact CE1-CG1 3.97Å; F255-V259 HydrophobicContact CE1-CG2 4.43Å; F255-V259 HydrophobicContact CE2-CB 4.07Å; F255-V259 HydrophobicContact CE2-CG1 3.59Å; F255-V259 HydrophobicContact CG-CG1 3.98Å; F255-V259 HydrophobicContact CZ-CB 3.77Å; F255-V259 HydrophobicContact CZ-CG1 3.7Å; F255-V259 HydrophobicContact CZ-CG2 4.5Å; F255-F261 AromaticContact CE1-CE2 3.52Å; F255-F261 HydrophobicContact CE1-CE2 3.52Å; F255-F261 AromaticContact CE1-CZ 3.52Å; F255-F261 HydrophobicContact CE1-CZ 3.52Å; F255-F261 AromaticContact CZ-CE2 3.84Å; F255-F261 HydrophobicContact CZ-CE2 3.84Å; F255-F261 AromaticContact CZ-CZ 4Å; F255-F261 HydrophobicContact CZ-CZ 4Å; F255-L286 HydrophobicContact CD1-CD2 3.74Å; F255-L286 HydrophobicContact CD1-CG 4.05Å; F255-L286 HydrophobicContact CE1-CD2 3.77Å; F255-L286 HydrophobicContact CE1-CG 4.21Å; F255-Y287 HydrophobicContact CB-CD2 4.05Å; F255-Y287 HydrophobicContact CB-CG 4.38Å; F255-Y287 HydrophobicContact CG-CD2 4.48Å; F255-V290 HydrophobicContact CD1-CG2 4.41Å; F255-V290 HydrophobicContact CE1-CG2 3.96Å; F255-I297 HydrophobicContact CD2-CB 4.16Å; F255-I297 HydrophobicContact CD2-CD1 4.07Å; F255-I297 HydrophobicContact CD2-CG2 3.64Å; F255-I297 HydrophobicContact CE1-CG2 4.42Å; F255-I297 HydrophobicContact CE2-CB 4.01Å; F255-I297 HydrophobicContact CE2-CG2 3.51Å; F255-I297 HydrophobicContact CG-CG2 4.18Å; F255-I297 HydrophobicContact CZ-CG2 3.95Å
256	G	97.3	Very high	97.7	Very high	5 Å²	5	49.1 Å²	49.1	5%	0.052	24%	0.239	C	C	.	.			trans	-117.8	-162	179.5	0	0	0	0	0	112.1	H237 S239 A258	H237-G256 PolarHBondContact CD2-O 2.99Å; H237-G256 PolarHBondContact NE2-O 3.34Å; S239-G256 PolarHBondContact OG-O 2.74Å; G256-A258 PolarHBondContact O-N 2.75Å
257	G	98.2	Very high	97.7	Very high	11 Å²	11	44.5 Å²	44.5	11%	0.113	22%	0.216	C	C	.	.	S	Bend	trans	71.9	-86.6	179.1	0	0	0	0	0	112.9	H216 D217	H216-G257 CarbonylContact C-O 3.58Å; H216-G257 WeakPolarHBondContact CA-O 3.44Å; D217-G257 PolarHBondContact N-O 2.86Å; D217-G257 WeakPolarHBondContact OD2-CA 3.36Å
258	A	98.8	Very high	97.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	120.9	175.9	0	0	0	0	0	110.4	F215 L238 S239 G256 Y307	F215-A258 CarbonylContact O-C 3.49Å; F215-A258 VanDerWaalsContact O-CA 3.3Å; F215-A258 WeakPolarHBondContact O-CA 3.35Å; L238-A258 WeakPolarHBondContact CA-O 3.11Å; L238-A258 HydrophobicContact CB-CB 3.91Å; L238-A258 VanDerWaalsContact CB-O 3.27Å; L238-A258 WeakPolarHBondContact CB-O 3.32Å; L238-A258 HydrophobicContact CD1-CB 4.07Å; L238-A258 HydrophobicContact CG-CB 4.47Å; L238-A258 PolarHBondContact N-O 3.34Å; S239-A258 PolarHBondContact N-O 3.36Å; S239-A258 PolarHBondContact OG-N 3.48Å; G256-A258 PolarHBondContact O-N 2.75Å; A258-Y307 HydrophobicContact CB-CE1 4.26Å
259	V	98.9	Very high	97.9	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.2	-179	-62.1	0	0	0	0	111.6	I214 F215 R236 F255 F261 L286	I214-V259 CarbonylContact C-O 3.59Å; I214-V259 WeakPolarHBondContact CA-O 3.33Å; F215-V259 HydrophobicContact CB-CG2 3.92Å; F215-V259 HydrophobicContact CD2-CG2 4.17Å; F215-V259 PolarHBondContact N-O 3.32Å; F215-V259 PolarHBondContact O-N 3.05Å; R236-V259 CarbonylContact O-C 3.55Å; R236-V259 VanDerWaalsContact O-CA 3.26Å; R236-V259 WeakPolarHBondContact O-CA 3.36Å; F255-V259 HydrophobicContact CD1-CG1 4.11Å; F255-V259 HydrophobicContact CD2-CG1 3.73Å; F255-V259 HydrophobicContact CE1-CB 4.14Å; F255-V259 HydrophobicContact CE1-CG1 3.97Å; F255-V259 HydrophobicContact CE1-CG2 4.43Å; F255-V259 HydrophobicContact CE2-CB 4.07Å; F255-V259 HydrophobicContact CE2-CG1 3.59Å; F255-V259 HydrophobicContact CG-CG1 3.98Å; F255-V259 HydrophobicContact CZ-CB 3.77Å; F255-V259 HydrophobicContact CZ-CG1 3.7Å; F255-V259 HydrophobicContact CZ-CG2 4.5Å; V259-F261 HydrophobicContact CG2-CD2 4.39Å; V259-F261 HydrophobicContact CG2-CE2 4.1Å; V259-L286 HydrophobicContact CG2-CD2 4.32Å
260	A	98.8	Very high	98	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.2	179.2	0	0	0	0	0	111.9	F213 I214 P235 R236 L238	F213-A260 WeakPolarHBondContact O-CA 3.41Å; I214-A260 HydrophobicContact CD1-CB 3.39Å; P235-A260 WeakPolarHBondContact CA-O 3.42Å; R236-A260 HydrophobicContact CB-CB 4.15Å; R236-A260 PolarHBondContact N-O 2.89Å; R236-A260 PolarHBondContact O-N 2.95Å; L238-A260 HydrophobicContact CD1-CB 4.42Å; L238-A260 HydrophobicContact CD2-CB 4.21Å; L238-A260 HydrophobicContact CG-CB 4.46Å
261	F	98.9	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.8	175.4	-77.9	-96.9	0	0	0	110.7	F213 F215 C231 P235 F255 V259 Q265 F266 V269 L286 V290	F213-F261 PolarHBondContact N-O 2.92Å; F213-F261 PolarHBondContact O-N 3.13Å; F215-F261 HydrophobicContact CD2-CD2 4.08Å; F215-F261 HydrophobicContact CE2-CB 4.33Å; F215-F261 AromaticContact CE2-CD2 3.99Å; F215-F261 HydrophobicContact CE2-CD2 3.99Å; C231-F261 PolarHBondContact SG-O 3.39Å; P235-F261 HydrophobicContact CB-CD1 3.92Å; P235-F261 HydrophobicContact CB-CE1 3.66Å; P235-F261 HydrophobicContact CB-CE2 4.43Å; P235-F261 HydrophobicContact CB-CG 4.42Å; P235-F261 HydrophobicContact CB-CZ 3.97Å; P235-F261 HydrophobicContact CG-CD1 3.75Å; P235-F261 HydrophobicContact CG-CE1 3.51Å; P235-F261 HydrophobicContact CG-CZ 4.27Å; F255-F261 AromaticContact CE1-CE2 3.52Å; F255-F261 HydrophobicContact CE1-CE2 3.52Å; F255-F261 AromaticContact CE1-CZ 3.52Å; F255-F261 HydrophobicContact CE1-CZ 3.52Å; F255-F261 AromaticContact CZ-CE2 3.84Å; F255-F261 HydrophobicContact CZ-CE2 3.84Å; F255-F261 AromaticContact CZ-CZ 4Å; F255-F261 HydrophobicContact CZ-CZ 4Å; V259-F261 HydrophobicContact CG2-CD2 4.39Å; V259-F261 HydrophobicContact CG2-CE2 4.1Å; F261-Q265 HydrophobicContact CB-CB 4.49Å; F261-Q265 HydrophobicContact CD1-CB 3.77Å; F261-F266 HydrophobicContact CB-CB 3.94Å; F261-F266 HydrophobicContact CB-CD2 4.32Å; F261-F266 HydrophobicContact CD1-CB 4.42Å; F261-F266 HydrophobicContact CD1-CD2 4.46Å; F261-F266 HydrophobicContact CD2-CD2 4.24Å; F261-F266 HydrophobicContact CG-CB 4.35Å; F261-F266 HydrophobicContact CG-CD2 4.12Å; F261-V269 HydrophobicContact CE1-CG1 4.28Å; F261-V269 HydrophobicContact CE1-CG2 3.86Å; F261-V269 HydrophobicContact CZ-CG2 4.35Å; F261-L286 HydrophobicContact CE2-CD2 3.93Å; F261-L286 HydrophobicContact CZ-CD1 4.17Å; F261-L286 HydrophobicContact CZ-CD2 4.17Å; F261-L286 HydrophobicContact CZ-CG 4.28Å; F261-V290 HydrophobicContact CE1-CG2 3.84Å; F261-V290 HydrophobicContact CZ-CG2 3.61Å
262	T	98.7	Very high	98.3	Very high	26 Å²	26	28.9 Å²	28.9	16%	0.16	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	159.6	159.6	81.1	0	0	0	0	109.6	D211 C231 E264 Q265 F266	D211-T262 CarbonylContact O-C 3.54Å; D211-T262 WeakPolarHBondContact O-CA 3.39Å; C231-T262 HydrophobicContact CB-CG2 3.72Å; T262-E264 VanDerWaalsContact C-N 3.26Å; T262-E264 WeakPolarHBondContact CB-OE2 3.3Å; T262-E264 PolarHBondContact O-N 3.43Å; T262-E264 PolarHBondContact OG1-N 2.94Å; T262-E264 PolarHBondContact OG1-OE2 3.29Å; T262-Q265 HydrophobicContact CG2-CG 4.44Å; T262-Q265 PolarHBondContact O-N 2.68Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.39Å; T262-Q265 PolarHBondContact OG1-N 2.89Å; T262-Q265 VanDerWaalsContact OG1-N 3.14Å; T262-F266 PolarHBondContact O-N 3.47Å
263	K	98.5	Very high	98.4	Very high	56 Å²	56	22.3 Å²	22.3	24%	0.243	11%	0.114	C	C	.	.	H	α-helix	trans	-51.3	-47.3	173.1	-167	179	-167.8	170.2	0	112.1	F201 D211 F213 F266 V267	F201-K263 HydrophobicContact CE2-CG 4.34Å; F201-K263 HydrophobicContact CZ-CG 4.49Å; D211-K263 PolarHBondContact O-N 3.46Å; F213-K263 HydrophobicContact CD2-CB 4.39Å; F213-K263 HydrophobicContact CE2-CB 3.77Å; F213-K263 HydrophobicContact CE2-CG 3.9Å; K263-F266 PolarHBondContact O-N 2.97Å; K263-V267 WeakPolarHBondContact O-CB 3.43Å; K263-V267 VanDerWaalsContact O-CG2 3.23Å; K263-V267 WeakPolarHBondContact O-CG2 3.23Å; K263-V267 PolarHBondContact O-N 3.01Å
264	E	98.5	Very high	98.5	Very high	124 Å²	124	19.2 Å²	19.2	58%	0.579	10%	0.098	S	C	*	.	H	α-helix	trans	-64.5	-44.3	-178.1	-60	69.9	-149	0	0	111.1	T262 V267 K268	T262-E264 VanDerWaalsContact C-N 3.26Å; T262-E264 WeakPolarHBondContact CB-OE2 3.3Å; T262-E264 PolarHBondContact O-N 3.43Å; T262-E264 PolarHBondContact OG1-N 2.94Å; T262-E264 PolarHBondContact OG1-OE2 3.29Å; E264-V267 PolarHBondContact O-N 3.25Å; E264-K268 WeakPolarHBondContact O-CB 3.4Å; E264-K268 PolarHBondContact O-N 3.27Å
265	Q	98.8	Very high	98.5	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.028	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-47	177.4	-67.1	164.1	-6.9	0	0	110.7	G232 D233 P235 F261 T262 V267 K268 V269 Y295	G232-Q265 PolarHBondContact O-NE2 3.25Å; D233-Q265 PolarHBondContact O-NE2 3.4Å; P235-Q265 HydrophobicContact CG-CB 4.46Å; F261-Q265 HydrophobicContact CB-CB 4.49Å; F261-Q265 HydrophobicContact CD1-CB 3.77Å; T262-Q265 HydrophobicContact CG2-CG 4.44Å; T262-Q265 PolarHBondContact O-N 2.68Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.39Å; T262-Q265 PolarHBondContact OG1-N 2.89Å; T262-Q265 VanDerWaalsContact OG1-N 3.14Å; Q265-V267 PolarHBondContact O-N 3.23Å; Q265-K268 PolarHBondContact O-N 2.79Å; Q265-V269 WeakPolarHBondContact O-CG1 3.31Å; Q265-V269 WeakPolarHBondContact O-CG2 3.3Å; Q265-V269 PolarHBondContact O-N 3.14Å; Q265-Y295 HydrophobicContact CB-CE2 4.3Å; Q265-Y295 HydrophobicContact CG-CE1 3.96Å; Q265-Y295 HydrophobicContact CG-CE2 4.29Å
266	F	98.8	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-42.7	-179.4	-167.1	-102.5	0	0	0	112.1	F201 F215 F261 T262 K263 K268 V269 G270 G271 F272 Y340	F201-F266 HydrophobicContact CB-CD1 4.2Å; F201-F266 HydrophobicContact CB-CE1 3.61Å; F201-F266 HydrophobicContact CB-CZ 4.27Å; F201-F266 AromaticContact CD1-CD1 3.81Å; F201-F266 HydrophobicContact CD1-CD1 3.81Å; F201-F266 AromaticContact CD1-CE1 3.66Å; F201-F266 HydrophobicContact CD1-CE1 3.66Å; F201-F266 AromaticContact CD2-CD1 3.4Å; F201-F266 HydrophobicContact CD2-CD1 3.4Å; F201-F266 VanDerWaalsContact CD2-CD1 3.4Å; F201-F266 AromaticContact CD2-CE1 3.75Å; F201-F266 HydrophobicContact CD2-CE1 3.75Å; F201-F266 HydrophobicContact CD2-CG 4.24Å; F201-F266 AromaticContact CE1-CD1 3.99Å; F201-F266 HydrophobicContact CE1-CD1 3.99Å; F201-F266 HydrophobicContact CE1-CE1 4.26Å; F201-F266 HydrophobicContact CE2-CB 4.41Å; F201-F266 AromaticContact CE2-CD1 3.62Å; F201-F266 HydrophobicContact CE2-CD1 3.62Å; F201-F266 HydrophobicContact CE2-CE1 4.35Å; F201-F266 HydrophobicContact CE2-CG 4.37Å; F201-F266 AromaticContact CG-CD1 3.52Å; F201-F266 HydrophobicContact CG-CD1 3.52Å; F201-F266 AromaticContact CG-CE1 3.38Å; F201-F266 HydrophobicContact CG-CE1 3.38Å; F201-F266 HydrophobicContact CG-CZ 4.44Å; F201-F266 AromaticContact CZ-CD1 3.91Å; F201-F266 HydrophobicContact CZ-CD1 3.91Å; F215-F266 HydrophobicContact CD2-CD2 4.44Å; F215-F266 HydrophobicContact CD2-CE2 4.22Å; F215-F266 HydrophobicContact CE1-CE1 4.49Å; F215-F266 AromaticContact CE1-CE2 3.84Å; F215-F266 HydrophobicContact CE1-CE2 3.84Å; F215-F266 AromaticContact CE1-CZ 3.81Å; F215-F266 HydrophobicContact CE1-CZ 3.81Å; F215-F266 AromaticContact CE2-CD2 3.34Å; F215-F266 HydrophobicContact CE2-CD2 3.34Å; F215-F266 AromaticContact CE2-CE2 3.33Å; F215-F266 HydrophobicContact CE2-CE2 3.33Å; F215-F266 HydrophobicContact CE2-CG 4.13Å; F215-F266 HydrophobicContact CE2-CZ 4.1Å; F215-F266 HydrophobicContact CZ-CD1 4.16Å; F215-F266 AromaticContact CZ-CD2 3.38Å; F215-F266 HydrophobicContact CZ-CD2 3.38Å; F215-F266 AromaticContact CZ-CE1 3.92Å; F215-F266 HydrophobicContact CZ-CE1 3.92Å; F215-F266 AromaticContact CZ-CE2 3.08Å; F215-F266 HydrophobicContact CZ-CE2 3.08Å; F215-F266 AromaticContact CZ-CG 3.9Å; F215-F266 HydrophobicContact CZ-CG 3.9Å; F215-F266 AromaticContact CZ-CZ 3.37Å; F215-F266 HydrophobicContact CZ-CZ 3.37Å; F261-F266 HydrophobicContact CB-CB 3.94Å; F261-F266 HydrophobicContact CB-CD2 4.32Å; F261-F266 HydrophobicContact CD1-CB 4.42Å; F261-F266 HydrophobicContact CD1-CD2 4.46Å; F261-F266 HydrophobicContact CD2-CD2 4.24Å; F261-F266 HydrophobicContact CG-CB 4.35Å; F261-F266 HydrophobicContact CG-CD2 4.12Å; T262-F266 PolarHBondContact O-N 3.47Å; K263-F266 PolarHBondContact O-N 2.97Å; F266-K268 VanDerWaalsContact C-N 3.34Å; F266-V269 WeakPolarHBondContact O-CG2 3.33Å; F266-G270 PolarHBondContact O-N 3.5Å; F266-G270 VanDerWaalsContact O-N 3.12Å; F266-G271 VanDerWaalsContact CE2-CA 3.42Å; F266-G271 PolarHBondContact O-N 2.77Å; F266-G271 VanDerWaalsContact O-N 3.09Å; F266-F272 AromaticContact CE2-CD2 3.83Å; F266-F272 HydrophobicContact CE2-CD2 3.83Å; F266-F272 AromaticContact CE2-CE2 3.65Å; F266-F272 HydrophobicContact CE2-CE2 3.65Å; F266-F272 AromaticContact CZ-CD2 3.89Å; F266-F272 HydrophobicContact CZ-CD2 3.89Å; F266-F272 HydrophobicContact CZ-CE2 4.06Å; F266-Y340 HydrophobicContact CD1-CD1 4.39Å; F266-Y340 HydrophobicContact CE1-CD1 4.17Å; F266-Y340 HydrophobicContact CE1-CG 4.33Å
267	V	98.6	Very high	98.5	Very high	38 Å²	38	24.9 Å²	24.9	23%	0.23	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-46	174.3	167.5	0	0	0	0	110.7	F201 K263 E264 Q265 G270 Y340	F201-V267 HydrophobicContact CE1-CG2 4.37Å; F201-V267 HydrophobicContact CZ-CG2 3.74Å; K263-V267 WeakPolarHBondContact O-CB 3.43Å; K263-V267 VanDerWaalsContact O-CG2 3.23Å; K263-V267 WeakPolarHBondContact O-CG2 3.23Å; K263-V267 PolarHBondContact O-N 3.01Å; E264-V267 PolarHBondContact O-N 3.25Å; Q265-V267 PolarHBondContact O-N 3.23Å; V267-G270 PolarHBondContact O-N 3.15Å; V267-G270 VanDerWaalsContact O-N 3.15Å; V267-Y340 HydrophobicContact CG2-CE1 4.4Å
268	K	98.5	Very high	98.4	Very high	95 Å²	95	24.6 Å²	24.6	41%	0.413	12%	0.12	S	C	.	.	H	α-helix	trans	-65.2	-40.1	-177.6	-174.8	176.6	171.6	-153.5	0	112.6	E264 Q265 F266 G270 H293 Y295	E264-K268 WeakPolarHBondContact O-CB 3.4Å; E264-K268 PolarHBondContact O-N 3.27Å; Q265-K268 PolarHBondContact O-N 2.79Å; F266-K268 VanDerWaalsContact C-N 3.34Å; K268-G270 PolarHBondContact O-N 2.76Å; K268-H293 HydrophobicContact CG-CB 4.34Å; K268-H293 PolarHBondContact NZ-O 3.07Å; K268-H293 VanDerWaalsContact NZ-O 3.08Å; K268-H293 PolarHBondContact O-CD2 3.38Å; K268-H293 VanDerWaalsContact O-CD2 3.29Å; K268-H293 PolarHBondContact O-CE1 2.9Å; K268-H293 PolarHBondContact O-NE2 2.94Å; K268-Y295 HydrophobicContact CB-CE2 4.3Å; K268-Y295 HydrophobicContact CD-CE2 3.68Å; K268-Y295 WeakPolarHBondContact CD-OH 3.45Å; K268-Y295 HydrophobicContact CG-CE2 4.23Å
269	V	98.5	Very high	98.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-76.9	-11.8	176.4	-55.3	0	0	0	0	113.4	F261 Q265 F266 G271 L286 R289 V290 H293 Y295	F261-V269 HydrophobicContact CE1-CG1 4.28Å; F261-V269 HydrophobicContact CE1-CG2 3.86Å; F261-V269 HydrophobicContact CZ-CG2 4.35Å; Q265-V269 WeakPolarHBondContact O-CG1 3.31Å; Q265-V269 WeakPolarHBondContact O-CG2 3.3Å; Q265-V269 PolarHBondContact O-N 3.14Å; F266-V269 WeakPolarHBondContact O-CG2 3.33Å; V269-G271 VanDerWaalsContact C-N 3.34Å; V269-L286 HydrophobicContact CG2-CD1 4.44Å; V269-R289 HydrophobicContact CB-CB 4.21Å; V269-V290 HydrophobicContact CG1-CG2 4.27Å; V269-H293 HydrophobicContact CG1-CB 4.24Å; V269-Y295 HydrophobicContact CG1-CD2 3.92Å; V269-Y295 HydrophobicContact CG1-CE2 4.22Å
270	G	98.4	Very high	98.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	17.9	-178.1	0	0	0	0	0	115.2	F266 V267 K268 G339 Y340	F266-G270 PolarHBondContact O-N 3.5Å; F266-G270 VanDerWaalsContact O-N 3.12Å; V267-G270 PolarHBondContact O-N 3.15Å; V267-G270 VanDerWaalsContact O-N 3.15Å; K268-G270 PolarHBondContact O-N 2.76Å; G270-G339 CarbonylContact O-C 3.54Å; G270-G339 WeakPolarHBondContact O-CA 3.46Å; G270-Y340 PolarHBondContact O-N 3.3Å
271	G	98.5	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.			trans	63.3	-152.3	-175.9	0	0	0	0	0	113.6	F266 V269 R289	F266-G271 VanDerWaalsContact CE2-CA 3.42Å; F266-G271 PolarHBondContact O-N 2.77Å; F266-G271 VanDerWaalsContact O-N 3.09Å; V269-G271 VanDerWaalsContact C-N 3.34Å; G271-R289 VanDerWaalsContact O-CD 3.25Å; G271-R289 WeakPolarHBondContact O-CD 3.41Å
272	F	98.7	Very high	98.1	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	15%	0.154	C	C	.	.			trans	-85.4	161.3	-177.6	-60.7	-101.4	0	0	0	111.7	A194 L197 N198 F215 F266 L286	A194-F272 HydrophobicContact CB-CB 3.63Å; A194-F272 HydrophobicContact CB-CD1 4.34Å; A194-F272 HydrophobicContact CB-CG 4.27Å; L197-F272 HydrophobicContact CB-CD2 3.72Å; L197-F272 HydrophobicContact CB-CE2 3.63Å; L197-F272 HydrophobicContact CB-CG 4.41Å; L197-F272 HydrophobicContact CB-CZ 4.21Å; L197-F272 HydrophobicContact CD1-CD1 4.12Å; L197-F272 HydrophobicContact CD1-CD2 4.22Å; L197-F272 HydrophobicContact CD1-CE1 3.57Å; L197-F272 HydrophobicContact CD1-CE2 3.73Å; L197-F272 HydrophobicContact CD1-CG 4.43Å; L197-F272 HydrophobicContact CD1-CZ 3.38Å; L197-F272 HydrophobicContact CG-CE2 4.29Å; L197-F272 HydrophobicContact CG-CZ 4.39Å; N198-F272 PolarHBondContact ND2-O 2.9Å; N198-F272 PolarHBondContact OD1-N 2.86Å; F215-F272 HydrophobicContact CB-CE2 4.28Å; F215-F272 HydrophobicContact CB-CZ 4.03Å; F215-F272 AromaticContact CD1-CE2 3.79Å; F215-F272 HydrophobicContact CD1-CE2 3.79Å; F215-F272 HydrophobicContact CD1-CZ 4.39Å; F215-F272 HydrophobicContact CD2-CE2 4.07Å; F215-F272 HydrophobicContact CD2-CZ 4.31Å; F215-F272 HydrophobicContact CE1-CE2 4.09Å; F215-F272 HydrophobicContact CE2-CE2 4.37Å; F215-F272 AromaticContact CG-CE2 3.77Å; F215-F272 HydrophobicContact CG-CE2 3.77Å; F215-F272 AromaticContact CG-CZ 3.98Å; F215-F272 HydrophobicContact CG-CZ 3.98Å; F215-F272 HydrophobicContact CZ-CE2 4.38Å; F266-F272 AromaticContact CE2-CD2 3.83Å; F266-F272 HydrophobicContact CE2-CD2 3.83Å; F266-F272 AromaticContact CE2-CE2 3.65Å; F266-F272 HydrophobicContact CE2-CE2 3.65Å; F266-F272 AromaticContact CZ-CD2 3.89Å; F266-F272 HydrophobicContact CZ-CD2 3.89Å; F266-F272 HydrophobicContact CZ-CE2 4.06Å; F272-L286 HydrophobicContact CD1-CB 4.05Å; F272-L286 HydrophobicContact CD1-CD1 4.19Å; F272-L286 HydrophobicContact CD1-CD2 3.87Å; F272-L286 HydrophobicContact CD1-CG 4.24Å; F272-L286 HydrophobicContact CE1-CB 4.16Å; F272-L286 HydrophobicContact CE1-CD1 4.3Å; F272-L286 HydrophobicContact CE1-CD2 3.21Å; F272-L286 HydrophobicContact CE1-CG 4.06Å; F272-L286 HydrophobicContact CE2-CD2 4.23Å; F272-L286 HydrophobicContact CG-CD1 4.3Å; F272-L286 HydrophobicContact CZ-CD1 4.47Å; F272-L286 HydrophobicContact CZ-CD2 3.4Å; F272-L286 HydrophobicContact CZ-CG 4.46Å
273	S	98.5	Very high	98	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.			trans	-76.3	130.6	170.2	177.6	0	0	0	0	111.4	A194 I275 Y276 D338	A194-S273 WeakPolarHBondContact CB-O 3.26Å; S273-I275 VanDerWaalsContact C-N 3.28Å; S273-I275 PolarHBondContact O-N 3.09Å; S273-I275 WeakPolarHBondContact OG-CG1 3.38Å; S273-Y276 WeakPolarHBondContact OG-CE2 3.13Å; S273-D338 WeakPolarHBondContact CA-OD2 3.15Å; S273-D338 WeakPolarHBondContact CB-OD2 3.38Å; S273-D338 PolarHBondContact OG-OD2 2.92Å
274	N	98.4	Very high	98	Very high	15 Å²	15	31.5 Å²	31.5	8%	0.08	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.8	-173.8	-57.5	-68.5	0	0	0	114.3	N192 L195 N198 D338 G339 N342	N192-N274 PolarHBondContact ND2-O 3.45Å; L195-N274 HydrophobicContact CD1-CB 4.19Å; L195-N274 WeakPolarHBondContact CD1-OD1 3.5Å; N198-N274 PolarHBondContact ND2-OD1 2.83Å; N274-D338 WeakPolarHBondContact CB-OD1 3.45Å; N274-D338 PolarHBondContact N-OD1 2.9Å; N274-D338 PolarHBondContact N-OD2 3.25Å; N274-D338 PolarHBondContact ND2-OD1 3.15Å; N274-G339 PolarHBondContact ND2-O 3.48Å; N274-N342 PolarHBondContact ND2-OD1 3.12Å
275	I	97.6	Very high	98	Very high	65 Å²	65	25.6 Å²	25.6	33%	0.333	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	2.9	-166.8	68.4	174.3	0	0	0	114.4	S273 F277 L327 R334	S273-I275 VanDerWaalsContact C-N 3.28Å; S273-I275 PolarHBondContact O-N 3.09Å; S273-I275 WeakPolarHBondContact OG-CG1 3.38Å; I275-F277 PolarHBondContact O-N 2.89Å; I275-F277 VanDerWaalsContact O-N 3.15Å; I275-L327 HydrophobicContact CD1-CD2 3.67Å; I275-L327 HydrophobicContact CG1-CD1 4.44Å; I275-L327 HydrophobicContact CG1-CD2 4.38Å; I275-R334 VanDerWaalsContact CD1-NE 3.3Å
276	Y	98	Very high	98	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	12%	0.122	C	C	.	.			trans	-84.8	86.1	177.6	-69.9	-91.2	0	0	0	110.8	N192 S273 G280 E282 D285 L327 L328 R334	N192-Y276 PolarHBondContact OD1-O 2.88Å; S273-Y276 WeakPolarHBondContact OG-CE2 3.13Å; Y276-G280 WeakPolarHBondContact CD1-O 3.33Å; Y276-E282 HydrophobicContact CD1-CB 4.14Å; Y276-E282 HydrophobicContact CD2-CB 3.79Å; Y276-E282 HydrophobicContact CE2-CB 4.49Å; Y276-E282 HydrophobicContact CG-CB 3.59Å; Y276-D285 HydrophobicContact CE2-CB 3.8Å; Y276-D285 VanDerWaalsContact CE2-OD2 3.24Å; Y276-D285 WeakPolarHBondContact CE2-OD2 3.49Å; Y276-D285 WeakPolarHBondContact OH-CB 3.33Å; Y276-D285 PolarHBondContact OH-OD2 3.34Å; Y276-L327 HydrophobicContact CD1-CD1 3.99Å; Y276-L327 HydrophobicContact CE1-CB 3.71Å; Y276-L327 HydrophobicContact CE1-CD1 3.98Å; Y276-L327 HydrophobicContact CG-CD1 4.5Å; Y276-L328 PolarHBondContact OH-N 3.46Å; Y276-R334 PolarHBondContact OH-NH2 3.24Å
277	F	97.6	Very high	98	Very high	80 Å²	80	27.7 Å²	27.7	35%	0.351	13%	0.131	S	C	.	.			trans	-90.8	126.1	169.9	-71.8	-92.3	0	0	0	110.5	H190 N192 I275 N321 P365	H190-F277 HydrophobicContact CB-CB 4.28Å; N192-F277 HydrophobicContact CB-CD1 3.81Å; N192-F277 HydrophobicContact CB-CE1 3.84Å; N192-F277 HydrophobicContact CB-CG 4.31Å; N192-F277 HydrophobicContact CB-CZ 4.37Å; N192-F277 WeakPolarHBondContact ND2-CD2 3.45Å; N192-F277 WeakPolarHBondContact ND2-CE2 3.29Å; N192-F277 WeakPolarHBondContact ND2-CZ 3.39Å; I275-F277 PolarHBondContact O-N 2.89Å; I275-F277 VanDerWaalsContact O-N 3.15Å; F277-N321 WeakPolarHBondContact O-CB 3.22Å; F277-N321 PolarHBondContact O-ND2 3Å; F277-P365 HydrophobicContact CE1-CB 4.19Å; F277-P365 HydrophobicContact CZ-CB 4.41Å
278	G	97	Very high	98	Very high	5 Å²	5	27.4 Å²	27.4	5%	0.052	13%	0.133	C	C	.	.	S	Bend	trans	86.8	-176	-168.7	0	0	0	0	0	112.1	F191 N318 P319	F191-G278 PolarHBondContact O-N 3.24Å; G278-N318 WeakPolarHBondContact CA-OD1 3.42Å; G278-P319 CarbonylContact C-O 3.49Å; G278-P319 WeakPolarHBondContact CA-O 3.24Å
279	W	95.9	Very high	98	Very high	141 Å²	141	22.9 Å²	22.9	53%	0.534	11%	0.113	S	C	.	.	B	Isolated β-bridge	trans	-84.5	130.7	-170.9	-177.9	81.6	0	0	0	113	N318 P319 D320 N321	W279-N318 PolarHBondContact N-OD1 3.2Å; W279-P319 PolarHBondContact N-O 3.36Å; W279-D320 HydrophobicContact CE3-CB 4.38Å; W279-N321 PolarHBondContact O-N 2.76Å
280	G	96.1	Very high	98.1	Very high	7 Å²	7	22.9 Å²	22.9	7%	0.072	11%	0.113	C	C	.	.	S	Bend	trans	107.8	145.8	158.7	0	0	0	0	0	115.6	Y276 E282 R324	Y276-G280 WeakPolarHBondContact CD1-O 3.33Å; G280-E282 VanDerWaalsContact C-OE2 3.3Å; G280-E282 PolarHBondContact N-OE2 3.13Å; G280-R324 WeakPolarHBondContact O-CB 3.11Å
281	G	97.4	Very high	98.1	Very high	7 Å²	7	26.2 Å²	26.2	7%	0.072	13%	0.133	C	C	.	.	S	Bend	trans	91.5	-13.6	171	0	0	0	0	0	114.8	D285	G281-D285 WeakPolarHBondContact O-CB 3.49Å; G281-D285 PolarHBondContact O-N 3.3Å
282	E	98.3	Very high	98	Very high	15 Å²	15	31.2 Å²	31.2	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-74.4	-29.9	-176.2	82.1	-72.7	177.2	0	0	113.5	R193 A194 Y276 G280 L286	R193-E282 WeakPolarHBondContact CD-OE1 3.39Å; R193-E282 IonicContact CZ-OE1 2.63Å; R193-E282 IonicContact NE-OE1 3.3Å; R193-E282 IonicContact NH1-OE1 3.45Å; R193-E282 PolarHBondContact NH1-OE1 3.03Å; A194-E282 HydrophobicContact CB-CB 3.9Å; A194-E282 HydrophobicContact CB-CG 3.97Å; Y276-E282 HydrophobicContact CD1-CB 4.14Å; Y276-E282 HydrophobicContact CD2-CB 3.79Å; Y276-E282 HydrophobicContact CE2-CB 4.49Å; Y276-E282 HydrophobicContact CG-CB 3.59Å; G280-E282 VanDerWaalsContact C-OE2 3.3Å; G280-E282 PolarHBondContact N-OE2 3.13Å; E282-L286 PolarHBondContact O-N 3.28Å; E282-L286 VanDerWaalsContact O-N 3.14Å
283	D	98.1	Very high	98	Very high	25 Å²	25	33 Å²	33	13%	0.134	16%	0.161	C	C	.	.	H	α-helix	trans	-75.3	-39	173.9	57.4	-21	0	0	0	112.1	D285 L286 Y287	D283-D285 VanDerWaalsContact C-N 3.35Å; D283-L286 WeakPolarHBondContact O-CB 3.44Å; D283-L286 PolarHBondContact O-N 2.78Å; D283-Y287 PolarHBondContact O-N 3.08Å
284	D	98.5	Very high	98	Very high	35 Å²	35	40 Å²	40	19%	0.187	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-37.1	172.4	-64.3	-47.2	0	0	0	111.9	Y251 Y287 A288 L328	Y251-D284 WeakPolarHBondContact CE2-OD1 3.4Å; Y251-D284 PolarHBondContact OH-OD1 3.07Å; Y251-D284 PolarHBondContact OH-OD2 2.81Å; D284-Y287 PolarHBondContact O-N 2.74Å; D284-A288 WeakPolarHBondContact O-CB 3.47Å; D284-A288 PolarHBondContact O-N 2.95Å; D284-L328 HydrophobicContact CB-CD1 3.75Å; D284-L328 HydrophobicContact CB-CD2 3.7Å; D284-L328 HydrophobicContact CB-CG 4.4Å
285	D	98.7	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-45.1	172.2	-167	-57.4	0	0	0	110.4	Y276 G281 D283 Y287 A288 R289 L328 A331 R334	Y276-D285 HydrophobicContact CE2-CB 3.8Å; Y276-D285 VanDerWaalsContact CE2-OD2 3.24Å; Y276-D285 WeakPolarHBondContact CE2-OD2 3.49Å; Y276-D285 WeakPolarHBondContact OH-CB 3.33Å; Y276-D285 PolarHBondContact OH-OD2 3.34Å; G281-D285 WeakPolarHBondContact O-CB 3.49Å; G281-D285 PolarHBondContact O-N 3.3Å; D283-D285 VanDerWaalsContact C-N 3.35Å; D285-Y287 PolarHBondContact O-N 2.76Å; D285-A288 WeakPolarHBondContact O-CB 3.11Å; D285-A288 PolarHBondContact O-N 2.96Å; D285-R289 WeakPolarHBondContact O-CG 3.21Å; D285-R289 PolarHBondContact O-N 3.19Å; D285-R289 IonicContact OD1-CZ 3.53Å; D285-R289 IonicContact OD1-NE 2.75Å; D285-R289 PolarHBondContact OD1-NE 2.9Å; D285-R289 IonicContact OD1-NH2 3.47Å; D285-R289 PolarHBondContact OD1-NH2 3.22Å; D285-L328 HydrophobicContact CB-CD1 4.25Å; D285-A331 VanDerWaalsContact OD2-CB 3.22Å; D285-A331 WeakPolarHBondContact OD2-CB 3.47Å; D285-R334 IonicContact OD2-NH2 3.07Å; D285-R334 PolarHBondContact OD2-NH2 3.29Å
286	L	98.8	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-45.5	174.1	-176.8	70.4	0	0	0	111.8	F255 V259 F261 V269 F272 E282 D283 A288 R289 V290	F255-L286 HydrophobicContact CD1-CD2 3.74Å; F255-L286 HydrophobicContact CD1-CG 4.05Å; F255-L286 HydrophobicContact CE1-CD2 3.77Å; F255-L286 HydrophobicContact CE1-CG 4.21Å; V259-L286 HydrophobicContact CG2-CD2 4.32Å; F261-L286 HydrophobicContact CE2-CD2 3.93Å; F261-L286 HydrophobicContact CZ-CD1 4.17Å; F261-L286 HydrophobicContact CZ-CD2 4.17Å; F261-L286 HydrophobicContact CZ-CG 4.28Å; V269-L286 HydrophobicContact CG2-CD1 4.44Å; F272-L286 HydrophobicContact CD1-CB 4.05Å; F272-L286 HydrophobicContact CD1-CD1 4.19Å; F272-L286 HydrophobicContact CD1-CD2 3.87Å; F272-L286 HydrophobicContact CD1-CG 4.24Å; F272-L286 HydrophobicContact CE1-CB 4.16Å; F272-L286 HydrophobicContact CE1-CD1 4.3Å; F272-L286 HydrophobicContact CE1-CD2 3.21Å; F272-L286 HydrophobicContact CE1-CG 4.06Å; F272-L286 HydrophobicContact CE2-CD2 4.23Å; F272-L286 HydrophobicContact CG-CD1 4.3Å; F272-L286 HydrophobicContact CZ-CD1 4.47Å; F272-L286 HydrophobicContact CZ-CD2 3.4Å; F272-L286 HydrophobicContact CZ-CG 4.46Å; E282-L286 PolarHBondContact O-N 3.28Å; E282-L286 VanDerWaalsContact O-N 3.14Å; D283-L286 WeakPolarHBondContact O-CB 3.44Å; D283-L286 PolarHBondContact O-N 2.78Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.36Å; L286-R289 WeakPolarHBondContact O-CB 3.2Å; L286-R289 PolarHBondContact O-N 3.14Å; L286-R289 VanDerWaalsContact O-N 3.13Å; L286-V290 WeakPolarHBondContact O-CG2 3.23Å; L286-V290 PolarHBondContact O-N 3.34Å
287	Y	98.7	Very high	98	Very high	49 Å²	49	42.5 Å²	42.5	19%	0.192	21%	0.214	C	C	.	.	H	α-helix	trans	-56.9	-45.4	175.1	177.3	-102.2	0	0	0	111.5	N253 F255 D283 D284 D285 R289 V290 V291 I297	N253-Y287 HydrophobicContact CB-CD1 3.74Å; N253-Y287 HydrophobicContact CB-CE1 3.53Å; N253-Y287 HydrophobicContact CB-CG 4.38Å; N253-Y287 WeakPolarHBondContact O-CD2 3.38Å; N253-Y287 VanDerWaalsContact O-CG 3.25Å; N253-Y287 WeakPolarHBondContact OD1-CE1 3.38Å; N253-Y287 PolarHBondContact OD1-OH 3.5Å; F255-Y287 HydrophobicContact CB-CD2 4.05Å; F255-Y287 HydrophobicContact CB-CG 4.38Å; F255-Y287 HydrophobicContact CG-CD2 4.48Å; D283-Y287 PolarHBondContact O-N 3.08Å; D284-Y287 PolarHBondContact O-N 2.74Å; D285-Y287 PolarHBondContact O-N 2.76Å; Y287-R289 VanDerWaalsContact C-N 3.27Å; Y287-R289 PolarHBondContact O-N 3.23Å; Y287-V290 WeakPolarHBondContact O-CB 3.19Å; Y287-V290 PolarHBondContact O-N 2.8Å; Y287-V290 VanDerWaalsContact O-N 3.15Å; Y287-V291 HydrophobicContact CD1-CG2 4.34Å; Y287-V291 HydrophobicContact CE1-CG2 3.85Å; Y287-V291 HydrophobicContact CE2-CG2 4.1Å; Y287-V291 PolarHBondContact O-N 3.01Å; Y287-I297 HydrophobicContact CD2-CD1 3.96Å; Y287-I297 HydrophobicContact CD2-CG2 4.16Å; Y287-I297 HydrophobicContact CE2-CD1 3.61Å; Y287-I297 HydrophobicContact CE2-CG1 4.04Å; Y287-I297 HydrophobicContact CE2-CG2 4.22Å
288	A	98.6	Very high	98.1	Very high	33 Å²	33	41.4 Å²	41.4	27%	0.273	21%	0.214	S	C	.	.	H	α-helix	trans	-61.9	-34.9	178.1	0	0	0	0	0	112.2	D284 D285 L286 Y292 F335	D284-A288 WeakPolarHBondContact O-CB 3.47Å; D284-A288 PolarHBondContact O-N 2.95Å; D285-A288 WeakPolarHBondContact O-CB 3.11Å; D285-A288 PolarHBondContact O-N 2.96Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.36Å; A288-Y292 VanDerWaalsContact O-CB 3.27Å; A288-Y292 WeakPolarHBondContact O-CB 3Å; A288-Y292 PolarHBondContact O-N 3.4Å; A288-F335 HydrophobicContact CB-CE1 4.5Å; A288-F335 HydrophobicContact CB-CZ 3.7Å
289	R	98.6	Very high	98.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-39	173.4	-67.7	167.3	-178.1	-98.4	-0.5	113.1	V269 G271 D285 L286 Y287 Y292 H293 F335 D338	V269-R289 HydrophobicContact CB-CB 4.21Å; G271-R289 VanDerWaalsContact O-CD 3.25Å; G271-R289 WeakPolarHBondContact O-CD 3.41Å; D285-R289 WeakPolarHBondContact O-CG 3.21Å; D285-R289 PolarHBondContact O-N 3.19Å; D285-R289 IonicContact OD1-CZ 3.53Å; D285-R289 IonicContact OD1-NE 2.75Å; D285-R289 PolarHBondContact OD1-NE 2.9Å; D285-R289 IonicContact OD1-NH2 3.47Å; D285-R289 PolarHBondContact OD1-NH2 3.22Å; L286-R289 WeakPolarHBondContact O-CB 3.2Å; L286-R289 PolarHBondContact O-N 3.14Å; L286-R289 VanDerWaalsContact O-N 3.13Å; Y287-R289 VanDerWaalsContact C-N 3.27Å; Y287-R289 PolarHBondContact O-N 3.23Å; R289-Y292 PolarHBondContact O-N 3.24Å; R289-H293 PolarHBondContact O-N 3.33Å; R289-H293 PolarHBondContact O-ND1 3.44Å; R289-F335 HydrophobicContact CG-CD1 3.43Å; R289-F335 VanDerWaalsContact CG-CD1 3.43Å; R289-F335 HydrophobicContact CG-CD2 4.48Å; R289-F335 HydrophobicContact CG-CE1 3.42Å; R289-F335 VanDerWaalsContact CG-CE1 3.42Å; R289-F335 HydrophobicContact CG-CE2 4.49Å; R289-F335 HydrophobicContact CG-CG 4Å; R289-F335 HydrophobicContact CG-CZ 3.99Å; R289-D338 VanDerWaalsContact CZ-O 3.32Å; R289-D338 PolarHBondContact NH1-O 3.42Å; R289-D338 PolarHBondContact NH2-O 3.05Å; R289-D338 IonicContact NH2-OD2 3.6Å
290	V	98.7	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-52.3	175.2	169.3	0	0	0	0	109.6	P235 F255 F261 V269 L286 Y287 Y292 H293 Y295 I297	P235-V290 HydrophobicContact CG-CG1 4.18Å; P235-V290 HydrophobicContact CG-CG2 4.45Å; F255-V290 HydrophobicContact CD1-CG2 4.41Å; F255-V290 HydrophobicContact CE1-CG2 3.96Å; F261-V290 HydrophobicContact CE1-CG2 3.84Å; F261-V290 HydrophobicContact CZ-CG2 3.61Å; V269-V290 HydrophobicContact CG1-CG2 4.27Å; L286-V290 WeakPolarHBondContact O-CG2 3.23Å; L286-V290 PolarHBondContact O-N 3.34Å; Y287-V290 WeakPolarHBondContact O-CB 3.19Å; Y287-V290 PolarHBondContact O-N 2.8Å; Y287-V290 VanDerWaalsContact O-N 3.15Å; V290-Y292 PolarHBondContact O-N 3.15Å; V290-H293 PolarHBondContact O-N 3.47Å; V290-Y295 WeakPolarHBondContact O-CB 3.41Å; V290-Y295 PolarHBondContact O-N 3.13Å; V290-Y295 VanDerWaalsContact O-N 3.07Å; V290-I297 HydrophobicContact CG1-CG2 3.87Å
291	V	98.3	Very high	98.2	Very high	72 Å²	72	44.9 Å²	44.9	44%	0.436	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-43.2	179.2	176.8	0	0	0	0	111.4	Y287 H293 N294	Y287-V291 HydrophobicContact CD1-CG2 4.34Å; Y287-V291 HydrophobicContact CE1-CG2 3.85Å; Y287-V291 HydrophobicContact CE2-CG2 4.1Å; Y287-V291 PolarHBondContact O-N 3.01Å; V291-H293 PolarHBondContact O-N 2.99Å; V291-N294 PolarHBondContact O-N 3.48Å
292	Y	98.2	Very high	98.1	Very high	104 Å²	104	48.8 Å²	48.8	41%	0.408	25%	0.249	S	C	.	.	H	α-helix	trans	-57.4	-32.7	178	179.6	-91.5	0	0	0	113.3	A288 R289 V290 N294 F335 K336	A288-Y292 VanDerWaalsContact O-CB 3.27Å; A288-Y292 WeakPolarHBondContact O-CB 3Å; A288-Y292 PolarHBondContact O-N 3.4Å; R289-Y292 PolarHBondContact O-N 3.24Å; V290-Y292 PolarHBondContact O-N 3.15Å; Y292-N294 VanDerWaalsContact C-N 3.31Å; Y292-N294 PolarHBondContact O-N 3.21Å; Y292-F335 AromaticContact CD1-CD2 3.89Å; Y292-F335 HydrophobicContact CD1-CD2 3.89Å; Y292-F335 AromaticContact CD2-CD2 3.77Å; Y292-F335 HydrophobicContact CD2-CD2 3.77Å; Y292-F335 HydrophobicContact CD2-CE2 4Å; Y292-F335 HydrophobicContact CE1-CD2 4.41Å; Y292-F335 HydrophobicContact CE2-CD2 4.31Å; Y292-F335 AromaticContact CG-CD2 3.53Å; Y292-F335 HydrophobicContact CG-CD2 3.53Å; Y292-F335 AromaticContact CG-CE2 3.85Å; Y292-F335 HydrophobicContact CG-CE2 3.85Å; Y292-K336 VanDerWaalsContact OH-CE 3.22Å; Y292-K336 WeakPolarHBondContact OH-CE 3.31Å; Y292-K336 PolarHBondContact OH-NZ 2.84Å
293	H	98.2	Very high	98	Very high	39 Å²	39	53 Å²	53	18%	0.181	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	19.6	179.3	-69.3	97.8	0	0	0	113.9	K268 V269 R289 V290 V291 Y295	K268-H293 HydrophobicContact CG-CB 4.34Å; K268-H293 PolarHBondContact NZ-O 3.07Å; K268-H293 VanDerWaalsContact NZ-O 3.08Å; K268-H293 PolarHBondContact O-CD2 3.38Å; K268-H293 VanDerWaalsContact O-CD2 3.29Å; K268-H293 PolarHBondContact O-CE1 2.9Å; K268-H293 PolarHBondContact O-NE2 2.94Å; V269-H293 HydrophobicContact CG1-CB 4.24Å; R289-H293 PolarHBondContact O-N 3.33Å; R289-H293 PolarHBondContact O-ND1 3.44Å; V290-H293 PolarHBondContact O-N 3.47Å; V291-H293 PolarHBondContact O-N 2.99Å; H293-Y295 VanDerWaalsContact C-N 3.26Å; H293-Y295 HydrophobicContact CB-CD2 4.2Å; H293-Y295 HydrophobicContact CB-CE2 4.5Å; H293-Y295 PolarHBondContact O-N 3.19Å
294	N	98.2	Very high	97.9	Very high	147 Å²	147	53.3 Å²	53.3	79%	0.786	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	32.5	178.5	-59.3	-37.3	0	0	0	113.7	V291 Y292	V291-N294 PolarHBondContact O-N 3.48Å; Y292-N294 VanDerWaalsContact C-N 3.31Å; Y292-N294 PolarHBondContact O-N 3.21Å
295	Y	98.6	Very high	97.9	Very high	41 Å²	41	51.6 Å²	51.6	16%	0.161	26%	0.261	C	S	.	.			trans	-97.1	153.1	165.5	-69.9	-62	0	0	0	110.3	P235 Q265 K268 V269 V290 H293	P235-Y295 HydrophobicContact CG-CG 4.24Å; Q265-Y295 HydrophobicContact CB-CE2 4.3Å; Q265-Y295 HydrophobicContact CG-CE1 3.96Å; Q265-Y295 HydrophobicContact CG-CE2 4.29Å; K268-Y295 HydrophobicContact CB-CE2 4.3Å; K268-Y295 HydrophobicContact CD-CE2 3.68Å; K268-Y295 WeakPolarHBondContact CD-OH 3.45Å; K268-Y295 HydrophobicContact CG-CE2 4.23Å; V269-Y295 HydrophobicContact CG1-CD2 3.92Å; V269-Y295 HydrophobicContact CG1-CE2 4.22Å; V290-Y295 WeakPolarHBondContact O-CB 3.41Å; V290-Y295 PolarHBondContact O-N 3.13Å; V290-Y295 VanDerWaalsContact O-N 3.07Å; H293-Y295 VanDerWaalsContact C-N 3.26Å; H293-Y295 HydrophobicContact CB-CD2 4.2Å; H293-Y295 HydrophobicContact CB-CE2 4.5Å; H293-Y295 PolarHBondContact O-N 3.19Å
296	S	98	Very high	97.8	Very high	64 Å²	64	53.5 Å²	53.5	45%	0.448	27%	0.268	S	S	.	.			trans	-110.7	161.1	166.1	61	0	0	0	0	108.6	Q234	Q234-S296 PolarHBondContact OE1-O 3.19Å; Q234-S296 VanDerWaalsContact OE1-O 3.13Å; Q234-S296 PolarHBondContact OE1-OG 3.35Å
297	I	98.3	Very high	97.8	Very high	28 Å²	28	53.5 Å²	53.5	14%	0.144	27%	0.268	C	S	.	.			trans	-98.1	135.6	174.5	60.9	173.3	0	0	0	110.4	P235 F255 Y287 V290	P235-I297 CarbonylContact O-C 3.45Å; P235-I297 WeakPolarHBondContact O-CA 3.42Å; F255-I297 HydrophobicContact CD2-CB 4.16Å; F255-I297 HydrophobicContact CD2-CD1 4.07Å; F255-I297 HydrophobicContact CD2-CG2 3.64Å; F255-I297 HydrophobicContact CE1-CG2 4.42Å; F255-I297 HydrophobicContact CE2-CB 4.01Å; F255-I297 HydrophobicContact CE2-CG2 3.51Å; F255-I297 HydrophobicContact CG-CG2 4.18Å; F255-I297 HydrophobicContact CZ-CG2 3.95Å; Y287-I297 HydrophobicContact CD2-CD1 3.96Å; Y287-I297 HydrophobicContact CD2-CG2 4.16Å; Y287-I297 HydrophobicContact CE2-CD1 3.61Å; Y287-I297 HydrophobicContact CE2-CG1 4.04Å; Y287-I297 HydrophobicContact CE2-CG2 4.22Å; V290-I297 HydrophobicContact CG1-CG2 3.87Å
298	V	98.2	Very high	97.8	Very high	57 Å²	57	54.6 Å²	54.6	35%	0.345	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	136	173.3	172.5	0	0	0	0	109.6	Q234 P235 R236 H237 Y300	Q234-V298 HydrophobicContact CB-CG2 3.65Å; Q234-V298 HydrophobicContact CG-CG2 4.27Å; P235-V298 PolarHBondContact O-N 3.43Å; R236-V298 WeakPolarHBondContact CA-O 3.21Å; R236-V298 HydrophobicContact CG-CB 4.48Å; R236-V298 HydrophobicContact CG-CG1 4.49Å; R236-V298 WeakPolarHBondContact CG-O 3.47Å; H237-V298 PolarHBondContact N-O 2.74Å; V298-Y300 HydrophobicContact CG1-CD1 4.34Å; V298-Y300 HydrophobicContact CG1-CE1 4.31Å
299	R	97.9	Very high	97.8	Very high	70 Å²	70	54.2 Å²	54.2	26%	0.264	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.1	174.1	-71.8	179	-177.7	136.6	-8.3	108.3	H237 V240 L252 I254	H237-R299 HydrophobicContact CB-CG 3.89Å; H237-R299 PolarHBondContact ND1-NE 3.07Å; V240-R299 HydrophobicContact CG2-CB 3.8Å; V240-R299 HydrophobicContact CG2-CG 3.77Å; L252-R299 VanDerWaalsContact O-CZ 3.26Å; L252-R299 PolarHBondContact O-NH1 3.47Å; L252-R299 PolarHBondContact O-NH2 2.75Å; I254-R299 PolarHBondContact O-NH2 2.99Å
300	Y	96.7	Very high	97.6	Very high	90 Å²	90	55.4 Å²	55.4	35%	0.353	27%	0.273	S	S	.	.			trans	-79.8	160.7	167.4	-78.1	12.6	0	0	0	109.6	V298 I304 S305	V298-Y300 HydrophobicContact CG1-CD1 4.34Å; V298-Y300 HydrophobicContact CG1-CE1 4.31Å; Y300-I304 HydrophobicContact CD2-CG2 4.09Å; Y300-S305 VanDerWaalsContact CB-OG 3.24Å; Y300-S305 WeakPolarHBondContact CB-OG 3.44Å; Y300-S305 PolarHBondContact O-OG 2.9Å
301	P	96.9	Very high	97.3	Very high	66 Å²	66	60.3 Å²	60.3	43%	0.429	31%	0.307	S	S	.	.			trans	-49	148.1	177.5	-29.1	36.2	0	0	0	113.3	E303 I304 S305	P301-E303 HydrophobicContact CB-CG 4.32Å; P301-E303 WeakPolarHBondContact CB-OE1 3.43Å; P301-E303 VanDerWaalsContact CB-OE2 3.26Å; P301-E303 WeakPolarHBondContact CB-OE2 3.22Å; P301-E303 PolarHBondContact O-N 2.49Å; P301-E303 VanDerWaalsContact O-N 3.15Å; P301-I304 PolarHBondContact O-N 3.03Å; P301-S305 PolarHBondContact O-N 3.18Å; P301-S305 PolarHBondContact O-OG 3.08Å
302	E	96	Very high	96.8	Very high	89 Å²	89	60.2 Å²	60.2	42%	0.416	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.2	-176.9	-68.9	-175	162.5	0	0	112	V240 A241 I304 R306	V240-E302 HydrophobicContact CG1-CG 4.2Å; A241-E302 HydrophobicContact CB-CB 4Å; A241-E302 HydrophobicContact CB-CG 4.28Å; E302-I304 VanDerWaalsContact C-N 3.34Å; E302-I304 PolarHBondContact O-N 3.23Å; E302-R306 WeakPolarHBondContact O-CG 3.49Å
303	E	95.5	Very high	96.3	Very high	105 Å²	105	64.5 Å²	64.5	49%	0.491	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.9	177.7	66.5	-84.8	-173	0	0	114.3	P301	P301-E303 HydrophobicContact CB-CG 4.32Å; P301-E303 WeakPolarHBondContact CB-OE1 3.43Å; P301-E303 VanDerWaalsContact CB-OE2 3.26Å; P301-E303 WeakPolarHBondContact CB-OE2 3.22Å; P301-E303 PolarHBondContact O-N 2.49Å; P301-E303 VanDerWaalsContact O-N 3.15Å
304	I	96.9	Very high	95.6	Very high	30 Å²	30	68.9 Å²	68.9	15%	0.154	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-36.7	177.3	-66.9	164.8	0	0	0	110.4	D224 R226 N227 Y300 P301 E302 R306	D224-I304 WeakPolarHBondContact CB-O 3.48Å; R226-I304 HydrophobicContact CB-CG1 4.4Å; R226-I304 HydrophobicContact CB-CG2 4.05Å; N227-I304 HydrophobicContact CB-CG2 4.05Å; N227-I304 WeakPolarHBondContact CB-O 3.46Å; Y300-I304 HydrophobicContact CD2-CG2 4.09Å; P301-I304 PolarHBondContact O-N 3.03Å; E302-I304 VanDerWaalsContact C-N 3.34Å; E302-I304 PolarHBondContact O-N 3.23Å; I304-R306 PolarHBondContact O-N 3.04Å; I304-R306 VanDerWaalsContact O-N 3.12Å
305	S	97.4	Very high	95.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-88.5	34.5	-174	-56.5	0	0	0	0	113.4	L238 V240 A241 Y300 P301	L238-S305 WeakPolarHBondContact O-CB 3.19Å; V240-S305 PolarHBondContact N-O 2.77Å; A241-S305 PolarHBondContact N-O 3.44Å; Y300-S305 VanDerWaalsContact CB-OG 3.24Å; Y300-S305 WeakPolarHBondContact CB-OG 3.44Å; Y300-S305 PolarHBondContact O-OG 2.9Å; P301-S305 PolarHBondContact O-N 3.18Å; P301-S305 PolarHBondContact O-OG 3.08Å
306	R	97.9	Very high	94.5	Very high	40 Å²	40	67.9 Å²	67.9	15%	0.151	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.9	-176.7	-63.1	-177.9	66.1	93.3	-9.8	112.1	E223 A241 Y247 E302 I304	E223-R306 HydrophobicContact CB-CB 3.88Å; E223-R306 HydrophobicContact CG-CB 4.3Å; E223-R306 PolarHBondContact N-O 3.18Å; E223-R306 IonicContact OE2-CZ 2.67Å; E223-R306 IonicContact OE2-NE 3.9Å; E223-R306 PolarHBondContact OE2-NE 2.92Å; E223-R306 VanDerWaalsContact OE2-NE 3.12Å; E223-R306 IonicContact OE2-NH2 3.69Å; A241-R306 HydrophobicContact CB-CG 4.37Å; A241-R306 CarbonylContact O-C 3.59Å; A241-R306 VanDerWaalsContact O-CA 3.25Å; A241-R306 WeakPolarHBondContact O-CA 3.2Å; Y247-R306 HydrophobicContact CD1-CB 4.24Å; Y247-R306 HydrophobicContact CD1-CG 4.21Å; Y247-R306 VanDerWaalsContact CD1-NH2 3.29Å; Y247-R306 HydrophobicContact CE1-CB 4.19Å; Y247-R306 VanDerWaalsContact CG-NH1 3.32Å; E302-R306 WeakPolarHBondContact O-CG 3.49Å; I304-R306 PolarHBondContact O-N 3.04Å; I304-R306 VanDerWaalsContact O-N 3.12Å
307	Y	98.5	Very high	94.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142	176.3	-77.3	-109.2	0	0	0	111.8	H216 L220 L221 P222 N227 Y229 L238 S239 A241 V242 D243 A258	H216-Y307 AromaticContact NE2-CE1 3.69Å; L220-Y307 HydrophobicContact CB-CD1 3.82Å; L220-Y307 HydrophobicContact CB-CE1 4.45Å; L221-Y307 VanDerWaalsContact C-CD1 3.44Å; L221-Y307 CarbonylContact O-C 3.53Å; L221-Y307 VanDerWaalsContact O-CA 3.27Å; L221-Y307 WeakPolarHBondContact O-CA 3.39Å; P222-Y307 HydrophobicContact CB-CD1 4.31Å; P222-Y307 HydrophobicContact CB-CE1 3.83Å; P222-Y307 HydrophobicContact CB-CE2 4.26Å; P222-Y307 HydrophobicContact CG-CE1 4.29Å; N227-Y307 VanDerWaalsContact ND2-CE2 3.3Å; N227-Y307 WeakPolarHBondContact ND2-CE2 3.07Å; N227-Y307 PolarHBondContact ND2-OH 2.87Å; Y229-Y307 VanDerWaalsContact CE2-OH 3.28Å; Y229-Y307 WeakPolarHBondContact CE2-OH 3.48Å; Y229-Y307 VanDerWaalsContact CZ-OH 3.32Å; Y229-Y307 WeakPolarHBondContact OH-CE1 3.38Å; Y229-Y307 PolarHBondContact OH-OH 3.4Å; L238-Y307 WeakPolarHBondContact CB-OH 3.41Å; L238-Y307 WeakPolarHBondContact O-CE2 3.44Å; S239-Y307 VanDerWaalsContact CA-CE2 3.47Å; A241-Y307 PolarHBondContact O-N 2.75Å; V242-Y307 WeakPolarHBondContact CA-O 3.39Å; D243-Y307 PolarHBondContact N-O 3.36Å; A258-Y307 HydrophobicContact CB-CE1 4.26Å
308	K	98.3	Very high	93.8	Very high	72 Å²	72	68 Å²	68	31%	0.313	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.4	164.6	179.6	68.8	-171.5	169.4	0	108.9	I74 L221 E223 D243	I74-K308 HydrophobicContact CB-CG 4.45Å; I74-K308 HydrophobicContact CG1-CB 3.81Å; I74-K308 HydrophobicContact CG1-CG 4.27Å; I74-K308 HydrophobicContact CG2-CB 4.38Å; I74-K308 HydrophobicContact CG2-CG 4.14Å; L221-K308 HydrophobicContact CB-CB 4.5Å; L221-K308 PolarHBondContact N-O 3.12Å; L221-K308 PolarHBondContact O-N 2.96Å; E223-K308 HydrophobicContact CG-CB 4.17Å; E223-K308 PolarHBondContact OE1-N 3.18Å; D243-K308 HydrophobicContact CB-CD 4.47Å; D243-K308 VanDerWaalsContact OD2-CD 3.27Å; D243-K308 WeakPolarHBondContact OD2-CD 3.47Å; D243-K308 WeakPolarHBondContact OD2-CE 3.2Å; D243-K308 IonicContact OD2-NZ 2.68Å; D243-K308 PolarHBondContact OD2-NZ 2.95Å
309	M	97.6	Very high	93.7	Very high	24 Å²	24	67.3 Å²	67.3	12%	0.118	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.7	166.2	-171.8	177.1	-75.3	0	0	110	D219 L220 V242 D243 K244 S311	D219-M309 CarbonylContact O-C 3.52Å; D219-M309 VanDerWaalsContact O-CA 3.28Å; D219-M309 WeakPolarHBondContact O-CA 3.49Å; L220-M309 HydrophobicContact CD2-CB 3.95Å; L220-M309 HydrophobicContact CD2-CE 3.8Å; L220-M309 HydrophobicContact CD2-CG 4.2Å; V242-M309 HydrophobicContact CG1-CB 3.95Å; V242-M309 HydrophobicContact CG1-CE 4.2Å; D243-M309 WeakPolarHBondContact OD1-CB 3.38Å; D243-M309 PolarHBondContact OD1-N 3.41Å; K244-M309 HydrophobicContact CB-CB 4.41Å; K244-M309 HydrophobicContact CB-SD 4.21Å; K244-M309 HydrophobicContact CD-CE 3.97Å; K244-M309 HydrophobicContact CD-SD 3.23Å; K244-M309 WeakPolarHBondContact CD-SD 3.44Å; K244-M309 HydrophobicContact CG-SD 4.36Å; M309-S311 PolarHBondContact O-N 2.93Å
310	I	96.2	Very high	93.6	Very high	25 Å²	25	67.2 Å²	67.2	13%	0.128	34%	0.342	C	S	.	.			trans	-69.8	114.2	173.3	-53.9	172.5	0	0	0	107.9	H159 M162 D219 L221	H159-I310 PolarHBondContact NE2-O 3.2Å; M162-I310 HydrophobicContact CB-CD1 3.61Å; M162-I310 HydrophobicContact CG-CD1 4.31Å; D219-I310 HydrophobicContact CB-CB 4.32Å; D219-I310 PolarHBondContact O-N 3.48Å; L221-I310 HydrophobicContact CD1-CD1 3.91Å; L221-I310 HydrophobicContact CD1-CG1 3.92Å; L221-I310 HydrophobicContact CD2-CD1 4.27Å; L221-I310 HydrophobicContact CG-CD1 4.06Å; L221-I310 HydrophobicContact CG-CG1 4.11Å
311	S	91.3	Very high	93.6	Very high	103 Å²	103	63.6 Å²	63.6	72%	0.72	33%	0.329	S	S	*	.			trans	-58.9	140.9	-175.6	-52.5	0	0	0	0	112.5	M309	M309-S311 PolarHBondContact O-N 2.93Å
312	H	87.5	Confident	93.5	Very high	70 Å²	70	66 Å²	66	32%	0.324	34%	0.344	S	S	.	.			trans	-151.7	159	175.1	67.1	87.3	0	0	0	110.9	R156 D219	R156-H312 VanDerWaalsContact NH1-CB 3.34Å; R156-H312 PolarHBondContact NH1-CD2 3.04Å; R156-H312 PolarHBondContact NH2-CE1 2.87Å; R156-H312 VanDerWaalsContact NH2-CG 3.33Å; R156-H312 PolarHBondContact NH2-ND1 2.97Å; R156-H312 PolarHBondContact NH2-NE2 2.89Å; D219-H312 IonicContact OD2-CD2 2.8Å; D219-H312 PolarHBondContact OD2-CD2 3.5Å; D219-H312 IonicContact OD2-NE2 3.13Å; D219-H312 PolarHBondContact OD2-NE2 2.93Å
313	K	87.7	Confident	93.6	Very high	194 Å²	194	67.9 Å²	67.9	84%	0.843	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-74.9	155	168.1	-64.1	-177.4	-178.7	179.7	0	109.5	D315	K313-D315 PolarHBondContact O-N 3.47Å
314	K	84.6	Confident	93.7	Very high	131 Å²	131	66 Å²	66	57%	0.57	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-55	131.6	174	-176.4	165.9	-177.2	161.2	0	110.1	P316 D320	K314-P316 WeakPolarHBondContact O-CD 3.41Å; K314-D320 VanDerWaalsContact NZ-CG 3.3Å; K314-D320 IonicContact NZ-OD1 2.68Å; K314-D320 PolarHBondContact NZ-OD1 2.9Å; K314-D320 IonicContact NZ-OD2 3.43Å; K314-D320 PolarHBondContact NZ-OD2 3.32Å
315	D	87.1	Confident	93.7	Very high	47 Å²	47	69.9 Å²	69.9	25%	0.251	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-74.7	127.1	-180	-53.1	-66.5	0	0	0	110	R156 K313 D317 N318	R156-D315 IonicContact CZ-OD1 2.68Å; R156-D315 VanDerWaalsContact CZ-OD1 3.25Å; R156-D315 IonicContact CZ-OD2 2.75Å; R156-D315 IonicContact NE-OD1 3.73Å; R156-D315 PolarHBondContact NE-OD1 3.02Å; R156-D315 IonicContact NE-OD2 3.58Å; R156-D315 IonicContact NH2-OD1 3.9Å; R156-D315 PolarHBondContact NH2-OD1 3.23Å; R156-D315 IonicContact NH2-OD2 2.74Å; R156-D315 PolarHBondContact NH2-OD2 3.3Å; K313-D315 PolarHBondContact O-N 3.47Å; D315-D317 PolarHBondContact O-N 2.81Å; D315-N318 HydrophobicContact CB-CB 3.96Å; D315-N318 PolarHBondContact O-N 3.03Å; D315-N318 VanDerWaalsContact O-N 3.13Å
316	P	86.9	Confident	93.7	Very high	120 Å²	120	75.4 Å²	75.4	78%	0.779	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.4	177.4	-26.2	35.2	0	0	0	113.2	K314 N318	K314-P316 WeakPolarHBondContact O-CD 3.41Å; P316-N318 VanDerWaalsContact C-N 3.28Å; P316-N318 PolarHBondContact O-N 2.91Å
317	D	88.5	Confident	93.7	Very high	71 Å²	71	75 Å²	75	38%	0.38	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	7.6	-177.3	-57.8	-43.6	0	0	0	113.2	R154 H190 F191 D315 P319	R154-D317 VanDerWaalsContact CZ-CB 3.47Å; R154-D317 VanDerWaalsContact NH2-C 3.25Å; R154-D317 PolarHBondContact NH2-O 3.04Å; H190-D317 WeakPolarHBondContact CA-O 3.49Å; F191-D317 PolarHBondContact N-O 3.45Å; F191-D317 VanDerWaalsContact N-O 3.1Å; D315-D317 PolarHBondContact O-N 2.81Å; D317-P319 VanDerWaalsContact C-CD 3.44Å
318	N	92.8	Very high	93.7	Very high	25 Å²	25	77.4 Å²	77.4	13%	0.134	40%	0.4	C	S	.	.	S	Bend	trans	-130.2	60.1	175.6	-165.1	24.8	0	0	0	111.3	F191 G278 W279 D315 P316	F191-N318 HydrophobicContact CB-CB 4.07Å; G278-N318 WeakPolarHBondContact CA-OD1 3.42Å; W279-N318 PolarHBondContact N-OD1 3.2Å; D315-N318 HydrophobicContact CB-CB 3.96Å; D315-N318 PolarHBondContact O-N 3.03Å; D315-N318 VanDerWaalsContact O-N 3.13Å; P316-N318 VanDerWaalsContact C-N 3.28Å; P316-N318 PolarHBondContact O-N 2.91Å
319	P	94.5	Very high	93.6	Very high	42 Å²	42	82.5 Å²	82.5	27%	0.273	42%	0.422	S	S	.	.			trans	-67.4	161.6	178.1	31.8	-36.6	0	0	0	111	G278 W279 D317 N321	G278-P319 CarbonylContact C-O 3.49Å; G278-P319 WeakPolarHBondContact CA-O 3.24Å; W279-P319 PolarHBondContact N-O 3.36Å; D317-P319 VanDerWaalsContact C-CD 3.44Å; P319-N321 PolarHBondContact O-N 3.29Å
320	D	96	Very high	93.6	Very high	67 Å²	67	85 Å²	85	36%	0.358	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-60.9	125.7	174.8	-59	-4.1	0	0	0	108.8	W279 K314 P322	W279-D320 HydrophobicContact CE3-CB 4.38Å; K314-D320 VanDerWaalsContact NZ-CG 3.3Å; K314-D320 IonicContact NZ-OD1 2.68Å; K314-D320 PolarHBondContact NZ-OD1 2.9Å; K314-D320 IonicContact NZ-OD2 3.43Å; K314-D320 PolarHBondContact NZ-OD2 3.32Å; D320-P322 WeakPolarHBondContact O-CD 3.37Å; D320-P322 VanDerWaalsContact O-N 3.15Å
321	N	96.8	Very high	93.7	Very high	14 Å²	14	84 Å²	84	8%	0.075	43%	0.431	C	S	.	.			trans	-68.9	113.3	178.3	177.8	-12.1	0	0	0	108.7	F277 W279 P319 K323 R324	F277-N321 WeakPolarHBondContact O-CB 3.22Å; F277-N321 PolarHBondContact O-ND2 3Å; W279-N321 PolarHBondContact O-N 2.76Å; P319-N321 PolarHBondContact O-N 3.29Å; N321-K323 PolarHBondContact O-N 3.14Å; N321-K323 WeakPolarHBondContact OD1-CA 3.25Å; N321-K323 PolarHBondContact OD1-N 2.87Å; N321-R324 HydrophobicContact CB-CB 4.15Å; N321-R324 WeakPolarHBondContact O-CB 3.31Å; N321-R324 WeakPolarHBondContact O-CD 3.31Å; N321-R324 WeakPolarHBondContact O-CG 3.27Å; N321-R324 PolarHBondContact O-N 3.46Å; N321-R324 PolarHBondContact O-NH1 2.93Å; N321-R324 PolarHBondContact OD1-N 3.44Å
322	P	96.1	Very high	94	Very high	116 Å²	116	83 Å²	83	75%	0.753	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.3	-176.2	27.8	-34.8	0	0	0	112.4	D320	D320-P322 WeakPolarHBondContact O-CD 3.37Å; D320-P322 VanDerWaalsContact O-N 3.15Å
323	K	96.9	Very high	94.5	Very high	130 Å²	130	84 Å²	84	57%	0.565	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.8	-179.8	-60.8	-173.6	178.1	-175.1	0	113.4	N321 N325 E326 L327	N321-K323 PolarHBondContact O-N 3.14Å; N321-K323 WeakPolarHBondContact OD1-CA 3.25Å; N321-K323 PolarHBondContact OD1-N 2.87Å; K323-N325 VanDerWaalsContact C-N 3.26Å; K323-N325 PolarHBondContact O-N 3.11Å; K323-N325 VanDerWaalsContact O-N 3.12Å; K323-E326 WeakPolarHBondContact O-CB 3.47Å; K323-E326 PolarHBondContact O-N 3.49Å; K323-L327 HydrophobicContact CB-CD1 4.43Å; K323-L327 HydrophobicContact CB-CG 4.24Å; K323-L327 WeakPolarHBondContact O-CG 3.16Å; K323-L327 PolarHBondContact O-N 2.95Å
324	R	97.4	Very high	95	Very high	64 Å²	64	76.4 Å²	76.4	24%	0.242	41%	0.405	C	S	.	.	H	α-helix	trans	-51.5	-41.7	-173.7	66.9	-169.5	178.8	-85.5	6.1	114	G280 N321 L327 L328	G280-R324 WeakPolarHBondContact O-CB 3.11Å; N321-R324 HydrophobicContact CB-CB 4.15Å; N321-R324 WeakPolarHBondContact O-CB 3.31Å; N321-R324 WeakPolarHBondContact O-CD 3.31Å; N321-R324 WeakPolarHBondContact O-CG 3.27Å; N321-R324 PolarHBondContact O-N 3.46Å; N321-R324 PolarHBondContact O-NH1 2.93Å; N321-R324 PolarHBondContact OD1-N 3.44Å; R324-L327 PolarHBondContact O-N 2.87Å; R324-L328 VanDerWaalsContact O-CB 3.27Å; R324-L328 WeakPolarHBondContact O-CB 3.49Å; R324-L328 PolarHBondContact O-N 3.44Å
325	N	97.4	Very high	95.6	Very high	112 Å²	112	70.6 Å²	70.6	60%	0.599	38%	0.38	S	S	*	.	H	α-helix	trans	-68.4	-38.7	179.7	-65	-26.1	0	0	0	111.9	K323 K329	K323-N325 VanDerWaalsContact C-N 3.26Å; K323-N325 PolarHBondContact O-N 3.11Å; K323-N325 VanDerWaalsContact O-N 3.12Å; N325-K329 VanDerWaalsContact O-CB 3.31Å; N325-K329 WeakPolarHBondContact O-CB 3.27Å; N325-K329 PolarHBondContact O-N 2.88Å
326	E	97.8	Very high	96	Very high	117 Å²	117	75.4 Å²	75.4	55%	0.547	40%	0.399	S	S	.	.	H	α-helix	trans	-68.3	-44.6	176	-174.1	-168	159.6	0	0	111	K323 L328 K329 N330	K323-E326 WeakPolarHBondContact O-CB 3.47Å; K323-E326 PolarHBondContact O-N 3.49Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.15Å; E326-K329 PolarHBondContact O-N 3.32Å; E326-N330 PolarHBondContact O-N 3.04Å; E326-N330 VanDerWaalsContact O-N 3.15Å; E326-N330 PolarHBondContact O-ND2 3.32Å
327	L	98	Very high	96.5	Very high	30 Å²	30	74.1 Å²	74.1	16%	0.157	39%	0.389	C	S	.	.	H	α-helix	trans	-58.1	-47.5	175.4	-66.8	179.6	0	0	0	110.8	I275 Y276 K323 R324 N330 A331 R334	I275-L327 HydrophobicContact CD1-CD2 3.67Å; I275-L327 HydrophobicContact CG1-CD1 4.44Å; I275-L327 HydrophobicContact CG1-CD2 4.38Å; Y276-L327 HydrophobicContact CD1-CD1 3.99Å; Y276-L327 HydrophobicContact CE1-CB 3.71Å; Y276-L327 HydrophobicContact CE1-CD1 3.98Å; Y276-L327 HydrophobicContact CG-CD1 4.5Å; K323-L327 HydrophobicContact CB-CD1 4.43Å; K323-L327 HydrophobicContact CB-CG 4.24Å; K323-L327 WeakPolarHBondContact O-CG 3.16Å; K323-L327 PolarHBondContact O-N 2.95Å; R324-L327 PolarHBondContact O-N 2.87Å; L327-N330 CarbonylContact O-C 3.6Å; L327-N330 PolarHBondContact O-N 3.37Å; L327-A331 PolarHBondContact O-N 3.39Å; L327-R334 PolarHBondContact O-NH1 2.85Å; L327-R334 PolarHBondContact O-NH2 3.04Å
328	L	97.9	Very high	97	Very high	52 Å²	52	71.3 Å²	71.3	27%	0.272	37%	0.374	S	S	.	.	H	α-helix	trans	-65.7	-44	-179.8	-177.3	60.4	0	0	0	112	Y276 D284 D285 R324 E326 N330 A331	Y276-L328 PolarHBondContact OH-N 3.46Å; D284-L328 HydrophobicContact CB-CD1 3.75Å; D284-L328 HydrophobicContact CB-CD2 3.7Å; D284-L328 HydrophobicContact CB-CG 4.4Å; D285-L328 HydrophobicContact CB-CD1 4.25Å; R324-L328 VanDerWaalsContact O-CB 3.27Å; R324-L328 WeakPolarHBondContact O-CB 3.49Å; R324-L328 PolarHBondContact O-N 3.44Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.15Å; L328-N330 PolarHBondContact O-N 3.33Å; L328-A331 HydrophobicContact CD1-CB 4.5Å; L328-A331 WeakPolarHBondContact O-CB 3.42Å; L328-A331 PolarHBondContact O-N 2.83Å
329	K	97.6	Very high	97.3	Very high	179 Å²	179	70.1 Å²	70.1	78%	0.778	37%	0.367	S	S	*	.	H	α-helix	trans	-56.3	-36.5	176.4	-176.9	178.9	178.6	-178.7	0	112	N325 E326	N325-K329 VanDerWaalsContact O-CB 3.31Å; N325-K329 WeakPolarHBondContact O-CB 3.27Å; N325-K329 PolarHBondContact O-N 2.88Å; E326-K329 PolarHBondContact O-N 3.32Å
330	N	96.5	Very high	97.4	Very high	77 Å²	77	69 Å²	69	41%	0.412	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	11	-179.7	-65.9	-32.9	0	0	0	113.4	E326 L327 L328 S332 S333 R334	E326-N330 PolarHBondContact O-N 3.04Å; E326-N330 VanDerWaalsContact O-N 3.15Å; E326-N330 PolarHBondContact O-ND2 3.32Å; L327-N330 CarbonylContact O-C 3.6Å; L327-N330 PolarHBondContact O-N 3.37Å; L328-N330 PolarHBondContact O-N 3.33Å; N330-S332 VanDerWaalsContact C-N 3.34Å; N330-S332 PolarHBondContact O-N 3.2Å; N330-S333 PolarHBondContact O-N 3.4Å; N330-S333 PolarHBondContact O-OG 2.88Å; N330-R334 VanDerWaalsContact C-NH1 3.26Å; N330-R334 PolarHBondContact O-NH1 2.78Å
331	A	98.1	Very high	97.5	Very high	3 Å²	3	68.1 Å²	68.1	3%	0.025	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-58.9	-41.8	-171.5	0	0	0	0	0	113.5	D285 L327 L328 S333 R334 F335	D285-A331 VanDerWaalsContact OD2-CB 3.22Å; D285-A331 WeakPolarHBondContact OD2-CB 3.47Å; L327-A331 PolarHBondContact O-N 3.39Å; L328-A331 HydrophobicContact CD1-CB 4.5Å; L328-A331 WeakPolarHBondContact O-CB 3.42Å; L328-A331 PolarHBondContact O-N 2.83Å; A331-S333 PolarHBondContact O-N 3.39Å; A331-S333 VanDerWaalsContact O-N 3.14Å; A331-R334 PolarHBondContact O-N 3.48Å; A331-F335 VanDerWaalsContact C-CE1 3.43Å; A331-F335 HydrophobicContact CB-CE1 3.79Å; A331-F335 HydrophobicContact CB-CZ 4.23Å; A331-F335 WeakPolarHBondContact O-CD1 3.38Å; A331-F335 VanDerWaalsContact O-CE1 3.31Å; A331-F335 WeakPolarHBondContact O-CE1 3.17Å; A331-F335 PolarHBondContact O-N 2.9Å
332	S	97.6	Very high	97.5	Very high	82 Å²	82	70.8 Å²	70.8	57%	0.573	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-60.5	-27.3	-176.6	61.4	0	0	0	0	114.4	N330 R334	N330-S332 VanDerWaalsContact C-N 3.34Å; N330-S332 PolarHBondContact O-N 3.2Å; S332-R334 PolarHBondContact O-N 2.84Å
333	S	97.8	Very high	97.5	Very high	91 Å²	91	65.9 Å²	65.9	64%	0.636	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-70.3	-17.6	176.1	73.1	0	0	0	0	112.9	N330 A331	N330-S333 PolarHBondContact O-N 3.4Å; N330-S333 PolarHBondContact O-OG 2.88Å; A331-S333 PolarHBondContact O-N 3.39Å; A331-S333 VanDerWaalsContact O-N 3.14Å
334	R	97.7	Very high	97.5	Very high	34 Å²	34	65.7 Å²	65.7	13%	0.128	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-8.2	-175.9	-56.3	-171.1	-56.8	-82.4	2.7	114.4	I275 Y276 D285 L327 N330 A331 S332 K336 T337 D338	I275-R334 VanDerWaalsContact CD1-NE 3.3Å; Y276-R334 PolarHBondContact OH-NH2 3.24Å; D285-R334 IonicContact OD2-NH2 3.07Å; D285-R334 PolarHBondContact OD2-NH2 3.29Å; L327-R334 PolarHBondContact O-NH1 2.85Å; L327-R334 PolarHBondContact O-NH2 3.04Å; N330-R334 VanDerWaalsContact C-NH1 3.26Å; N330-R334 PolarHBondContact O-NH1 2.78Å; A331-R334 PolarHBondContact O-N 3.48Å; S332-R334 PolarHBondContact O-N 2.84Å; R334-K336 PolarHBondContact O-N 3.45Å; R334-T337 PolarHBondContact O-N 2.91Å; R334-T337 PolarHBondContact O-OG1 3.45Å; R334-D338 HydrophobicContact CB-CB 4.1Å; R334-D338 PolarHBondContact O-N 3.32Å
335	F	98.2	Very high	97.5	Very high	10 Å²	10	62.9 Å²	62.9	4%	0.044	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.2	-175	-66.9	-13.5	0	0	0	114.4	A288 R289 Y292 A331	A288-F335 HydrophobicContact CB-CE1 4.5Å; A288-F335 HydrophobicContact CB-CZ 3.7Å; R289-F335 HydrophobicContact CG-CD1 3.43Å; R289-F335 VanDerWaalsContact CG-CD1 3.43Å; R289-F335 HydrophobicContact CG-CD2 4.48Å; R289-F335 HydrophobicContact CG-CE1 3.42Å; R289-F335 VanDerWaalsContact CG-CE1 3.42Å; R289-F335 HydrophobicContact CG-CE2 4.49Å; R289-F335 HydrophobicContact CG-CG 4Å; R289-F335 HydrophobicContact CG-CZ 3.99Å; Y292-F335 AromaticContact CD1-CD2 3.89Å; Y292-F335 HydrophobicContact CD1-CD2 3.89Å; Y292-F335 AromaticContact CD2-CD2 3.77Å; Y292-F335 HydrophobicContact CD2-CD2 3.77Å; Y292-F335 HydrophobicContact CD2-CE2 4Å; Y292-F335 HydrophobicContact CE1-CD2 4.41Å; Y292-F335 HydrophobicContact CE2-CD2 4.31Å; Y292-F335 AromaticContact CG-CD2 3.53Å; Y292-F335 HydrophobicContact CG-CD2 3.53Å; Y292-F335 AromaticContact CG-CE2 3.85Å; Y292-F335 HydrophobicContact CG-CE2 3.85Å; A331-F335 VanDerWaalsContact C-CE1 3.43Å; A331-F335 HydrophobicContact CB-CE1 3.79Å; A331-F335 HydrophobicContact CB-CZ 4.23Å; A331-F335 WeakPolarHBondContact O-CD1 3.38Å; A331-F335 VanDerWaalsContact O-CE1 3.31Å; A331-F335 WeakPolarHBondContact O-CE1 3.17Å; A331-F335 PolarHBondContact O-N 2.9Å
336	K	96.1	Very high	97.5	Very high	148 Å²	148	61.8 Å²	61.8	64%	0.643	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-10.1	179.6	-63	-178.7	-179.9	175.7	0	114.1	Y292 R334	Y292-K336 VanDerWaalsContact OH-CE 3.22Å; Y292-K336 WeakPolarHBondContact OH-CE 3.31Å; Y292-K336 PolarHBondContact OH-NZ 2.84Å; R334-K336 PolarHBondContact O-N 3.45Å
337	T	97.5	Very high	97.5	Very high	93 Å²	93	58.9 Å²	58.9	57%	0.571	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-8.6	-171.3	54.4	0	0	0	0	113.4	R334 N342	R334-T337 PolarHBondContact O-N 2.91Å; R334-T337 PolarHBondContact O-OG1 3.45Å; T337-N342 PolarHBondContact O-ND2 3.3Å
338	D	98.1	Very high	97.3	Very high	12 Å²	12	61.9 Å²	61.9	6%	0.064	33%	0.329	C	S	.	.	S	Bend	trans	-138	122.4	178.1	173.1	46.4	0	0	0	109.7	S273 N274 R289 R334	S273-D338 WeakPolarHBondContact CA-OD2 3.15Å; S273-D338 WeakPolarHBondContact CB-OD2 3.38Å; S273-D338 PolarHBondContact OG-OD2 2.92Å; N274-D338 WeakPolarHBondContact CB-OD1 3.45Å; N274-D338 PolarHBondContact N-OD1 2.9Å; N274-D338 PolarHBondContact N-OD2 3.25Å; N274-D338 PolarHBondContact ND2-OD1 3.15Å; R289-D338 VanDerWaalsContact CZ-O 3.32Å; R289-D338 PolarHBondContact NH1-O 3.42Å; R289-D338 PolarHBondContact NH2-O 3.05Å; R289-D338 IonicContact NH2-OD2 3.6Å; R334-D338 HydrophobicContact CB-CB 4.1Å; R334-D338 PolarHBondContact O-N 3.32Å
339	G	98.4	Very high	97.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-178.7	-170.3	-175.7	0	0	0	0	0	112.6	G270 N274 W341 N342 A343	G270-G339 CarbonylContact O-C 3.54Å; G270-G339 WeakPolarHBondContact O-CA 3.46Å; N274-G339 PolarHBondContact ND2-O 3.48Å; G339-W341 PolarHBondContact O-N 3.38Å; G339-W341 VanDerWaalsContact O-N 3.13Å; G339-N342 PolarHBondContact N-OD1 2.9Å; G339-N342 PolarHBondContact O-N 2.91Å; G339-N342 PolarHBondContact O-OD1 2.74Å; G339-A343 PolarHBondContact O-N 3.46Å
340	Y	98.3	Very high	97	Very high	17 Å²	17	57 Å²	57	7%	0.067	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.6	-31.1	-177	76.2	-92.5	0	0	0	113.2	F201 I202 F266 V267 G270 N342 A343	F201-Y340 HydrophobicContact CD1-CD1 4.48Å; F201-Y340 AromaticContact CD1-CD2 3.77Å; F201-Y340 HydrophobicContact CD1-CD2 3.77Å; F201-Y340 HydrophobicContact CD1-CE2 4.29Å; F201-Y340 AromaticContact CD1-CG 3.9Å; F201-Y340 HydrophobicContact CD1-CG 3.9Å; F201-Y340 HydrophobicContact CE1-CD1 4.31Å; F201-Y340 AromaticContact CE1-CD2 3.68Å; F201-Y340 HydrophobicContact CE1-CD2 3.68Å; F201-Y340 HydrophobicContact CE1-CE1 4.33Å; F201-Y340 AromaticContact CE1-CE2 3.71Å; F201-Y340 HydrophobicContact CE1-CE2 3.71Å; F201-Y340 HydrophobicContact CE1-CG 4.01Å; I202-Y340 VanDerWaalsContact CD1-O 3.3Å; I202-Y340 WeakPolarHBondContact CD1-O 3.43Å; I202-Y340 HydrophobicContact CG1-CD2 4.33Å; F266-Y340 HydrophobicContact CD1-CD1 4.39Å; F266-Y340 HydrophobicContact CE1-CD1 4.17Å; F266-Y340 HydrophobicContact CE1-CG 4.33Å; V267-Y340 HydrophobicContact CG2-CE1 4.4Å; G270-Y340 PolarHBondContact O-N 3.3Å; Y340-N342 VanDerWaalsContact C-N 3.27Å; Y340-N342 PolarHBondContact O-N 2.91Å; Y340-A343 WeakPolarHBondContact O-CB 3.47Å; Y340-A343 PolarHBondContact O-N 2.96Å
341	W	96.4	Very high	96.7	Very high	49 Å²	49	57.9 Å²	57.9	19%	0.186	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-70	-19.7	-174.9	59.5	78.8	0	0	0	114.1	G339	G339-W341 PolarHBondContact O-N 3.38Å; G339-W341 VanDerWaalsContact O-N 3.13Å
342	N	96.8	Very high	96.4	Very high	70 Å²	70	59 Å²	59	37%	0.374	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-118.2	19.4	176.5	71.8	-23.1	0	0	0	113.1	N274 T337 G339 Y340 N344	N274-N342 PolarHBondContact ND2-OD1 3.12Å; T337-N342 PolarHBondContact O-ND2 3.3Å; G339-N342 PolarHBondContact N-OD1 2.9Å; G339-N342 PolarHBondContact O-N 2.91Å; G339-N342 PolarHBondContact O-OD1 2.74Å; Y340-N342 VanDerWaalsContact C-N 3.27Å; Y340-N342 PolarHBondContact O-N 2.91Å; N342-N344 PolarHBondContact O-N 2.91Å; N342-N344 VanDerWaalsContact O-N 3.08Å
343	A	97.7	Very high	96.2	Very high	13 Å²	13	55.2 Å²	55.2	11%	0.107	29%	0.29	C	S	.	.			trans	-55.4	113.9	167.8	0	0	0	0	0	109.6	L195 N198 I202 G339 Y340 Y345	L195-A343 HydrophobicContact CD1-CB 3.67Å; N198-A343 HydrophobicContact CB-CB 4.34Å; I202-A343 HydrophobicContact CD1-CB 4.05Å; G339-A343 PolarHBondContact O-N 3.46Å; Y340-A343 WeakPolarHBondContact O-CB 3.47Å; Y340-A343 PolarHBondContact O-N 2.96Å; A343-Y345 HydrophobicContact CB-CD1 4.21Å; A343-Y345 HydrophobicContact CB-CE1 4.13Å; A343-Y345 WeakPolarHBondContact O-CD1 3.31Å; A343-Y345 WeakPolarHBondContact O-CE1 3.49Å
344	N	96.5	Very high	95.9	Very high	126 Å²	126	55.7 Å²	55.7	67%	0.674	28%	0.278	S	S	*	.			trans	-96	126.2	177.3	-169.5	28.6	0	0	0	109.7	N342	N342-N344 PolarHBondContact O-N 2.91Å; N342-N344 VanDerWaalsContact O-N 3.08Å
345	Y	97.4	Very high	95.5	Very high	6 Å²	6	58.7 Å²	58.7	2%	0.024	30%	0.297	C	S	.	.			trans	-167.9	152.7	180	60.7	-80.6	0	0	0	110.9	R41 V199 I202 E203 A343 I363 S364	R41-Y345 VanDerWaalsContact NH1-CE2 3.28Å; R41-Y345 PolarHBondContact NH1-OH 2.99Å; R41-Y345 PolarHBondContact NH2-O 3.39Å; V199-Y345 HydrophobicContact CG1-CD2 4.32Å; V199-Y345 HydrophobicContact CG1-CE2 3.93Å; V199-Y345 HydrophobicContact CG2-CD1 3.5Å; V199-Y345 HydrophobicContact CG2-CD2 4.12Å; V199-Y345 HydrophobicContact CG2-CE1 3.6Å; V199-Y345 HydrophobicContact CG2-CE2 4.18Å; V199-Y345 HydrophobicContact CG2-CG 3.78Å; I202-Y345 HydrophobicContact CD1-CE1 4.11Å; I202-Y345 WeakPolarHBondContact CG2-OH 3.22Å; E203-Y345 HydrophobicContact CG-CE2 4.42Å; E203-Y345 PolarHBondContact OE1-OH 2.98Å; A343-Y345 HydrophobicContact CB-CD1 4.21Å; A343-Y345 HydrophobicContact CB-CE1 4.13Å; A343-Y345 WeakPolarHBondContact O-CD1 3.31Å; A343-Y345 WeakPolarHBondContact O-CE1 3.49Å; Y345-I363 HydrophobicContact CD2-CB 3.97Å; Y345-I363 HydrophobicContact CD2-CG2 3.64Å; Y345-I363 HydrophobicContact CE2-CG2 4.09Å; Y345-S364 CarbonylContact C-O 3.58Å; Y345-S364 VanDerWaalsContact CA-O 3.26Å; Y345-S364 WeakPolarHBondContact CA-O 3.43Å; Y345-S364 WeakPolarHBondContact CB-O 3.49Å
346	T	97.3	Very high	95	Very high	89 Å²	89	58.9 Å²	58.9	55%	0.546	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.9	168.2	-58.1	0	0	0	0	109.5	L348 I363 S364	T346-L348 HydrophobicContact CG2-CD2 4Å; T346-I363 CarbonylContact O-C 3.41Å; T346-I363 WeakPolarHBondContact O-CA 3.36Å; T346-I363 WeakPolarHBondContact O-CB 3.41Å; T346-S364 PolarHBondContact N-O 3.03Å; T346-S364 PolarHBondContact O-N 3.01Å
347	L	96.6	Very high	94.9	Very high	56 Å²	56	52 Å²	52	29%	0.293	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	120	172.4	-178.9	65.8	0	0	0	109.7	R206 E349 V361 I363	R206-L347 VanDerWaalsContact NH2-CD2 3.29Å; L347-E349 WeakPolarHBondContact CD1-O 3.29Å; L347-V361 HydrophobicContact CD1-CG1 3.65Å; L347-I363 HydrophobicContact CD1-CG2 3.91Å
348	L	95.2	Very high	94.9	Very high	93 Å²	93	47.6 Å²	47.6	49%	0.487	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-47.5	-179.5	-55.1	177.5	0	0	0	111.3	A186 T346 S362	A186-L348 HydrophobicContact CB-CD1 3.41Å; A186-L348 VanDerWaalsContact CB-CD1 3.41Å; T346-L348 HydrophobicContact CG2-CD2 4Å; L348-S362 WeakPolarHBondContact CB-O 3.49Å; L348-S362 PolarHBondContact N-O 2.93Å
349	E	94.1	Very high	94.7	Very high	93 Å²	93	48.1 Å²	48.1	44%	0.435	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.6	-178.3	-60.3	176.8	171.7	0	0	110.8	L347 Y351 W360 V361 S362	L347-E349 WeakPolarHBondContact CD1-O 3.29Å; E349-Y351 HydrophobicContact CB-CD1 4.22Å; E349-Y351 HydrophobicContact CB-CE1 4.03Å; E349-W360 PolarHBondContact OE2-NE1 2.87Å; E349-W360 VanDerWaalsContact OE2-NE1 3.07Å; E349-V361 CarbonylContact O-C 3.53Å; E349-V361 WeakPolarHBondContact O-CA 3.37Å; E349-S362 PolarHBondContact N-O 2.79Å; E349-S362 PolarHBondContact O-N 2.86Å
350	S	94.3	Very high	94.7	Very high	35 Å²	35	49.8 Å²	49.8	25%	0.245	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	105.8	177	-167.8	0	0	0	0	110.1	R206 Y359 W360	R206-S350 WeakPolarHBondContact CD-OG 3.27Å; S350-Y359 WeakPolarHBondContact OG-CE1 3.23Å; S350-Y359 PolarHBondContact OG-OH 3.41Å; S350-W360 WeakPolarHBondContact CA-O 3.26Å
351	Y	91.2	Very high	94.6	Very high	95 Å²	95	49 Å²	49	37%	0.373	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	156	-176.7	63.1	-87.1	0	0	0	112.9	E349 A353 W360	E349-Y351 HydrophobicContact CB-CD1 4.22Å; E349-Y351 HydrophobicContact CB-CE1 4.03Å; Y351-A353 HydrophobicContact CD2-CB 4.17Å; Y351-A353 HydrophobicContact CE2-CB 3.68Å; Y351-A353 PolarHBondContact O-N 3.3Å; Y351-W360 HydrophobicContact CE1-CB 4.35Å; Y351-W360 AromaticContact CE1-CD1 3.41Å; Y351-W360 VanDerWaalsContact CE1-CD1 3.41Å; Y351-W360 HydrophobicContact CE1-CG 4.18Å; Y351-W360 HydrophobicContact CE2-CB 4.41Å; Y351-W360 AromaticContact CZ-CD1 3.72Å; Y351-W360 PolarHBondContact N-O 3.11Å; Y351-W360 PolarHBondContact O-N 2.9Å
352	P	91.3	Very high	94.7	Very high	27 Å²	27	47 Å²	47	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.7	167.6	28.8	-33.4	0	0	0	110.4	K131 Y132 Y359	K131-P352 HydrophobicContact CG-CG 4.17Å; Y132-P352 WeakPolarHBondContact O-CB 3.21Å; Y132-P352 WeakPolarHBondContact O-CG 3.19Å; P352-Y359 HydrophobicContact CB-CD2 4.4Å
353	A	92.7	Very high	94.7	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	151.8	-176.9	0	0	0	0	0	111	Y351 N355 G356 L357 F358 W360	Y351-A353 HydrophobicContact CD2-CB 4.17Å; Y351-A353 HydrophobicContact CE2-CB 3.68Å; Y351-A353 PolarHBondContact O-N 3.3Å; A353-N355 PolarHBondContact O-N 3.41Å; A353-G356 PolarHBondContact O-N 3.48Å; A353-L357 PolarHBondContact O-N 3.49Å; A353-F358 HydrophobicContact CB-CD2 4.06Å; A353-F358 HydrophobicContact CB-CE1 4.26Å; A353-F358 HydrophobicContact CB-CE2 3.5Å; A353-F358 HydrophobicContact CB-CZ 3.64Å; A353-F358 PolarHBondContact N-O 3.42Å; A353-W360 HydrophobicContact CB-CB 3.97Å
354	Y	92.4	Very high	94.7	Very high	101 Å²	101	44.9 Å²	44.9	40%	0.396	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	50.5	54.6	173.8	-61.5	-85.3	0	0	0	113	W81 V85 G356 L357 F358	W81-Y354 HydrophobicContact CB-CD1 4.36Å; W81-Y354 HydrophobicContact CB-CE1 3.97Å; W81-Y354 HydrophobicContact CD2-CD1 4.32Å; W81-Y354 AromaticContact CD2-CE1 3.76Å; W81-Y354 HydrophobicContact CD2-CE1 3.76Å; W81-Y354 HydrophobicContact CD2-CE2 4.23Å; W81-Y354 AromaticContact CD2-CZ 3.69Å; W81-Y354 AromaticContact CE2-CZ 3.9Å; W81-Y354 HydrophobicContact CE3-CD1 4.07Å; W81-Y354 HydrophobicContact CE3-CD2 4.17Å; W81-Y354 AromaticContact CE3-CE1 3.95Å; W81-Y354 HydrophobicContact CE3-CE1 3.95Å; W81-Y354 HydrophobicContact CE3-CE2 4.05Å; W81-Y354 HydrophobicContact CE3-CG 4.17Å; W81-Y354 AromaticContact CE3-CZ 3.93Å; W81-Y354 HydrophobicContact CG-CD1 4.48Å; W81-Y354 AromaticContact CG-CE1 3.79Å; W81-Y354 HydrophobicContact CG-CE1 3.79Å; W81-Y354 HydrophobicContact CH2-CE2 4.19Å; W81-Y354 HydrophobicContact CZ2-CE2 4.35Å; W81-Y354 HydrophobicContact CZ3-CD2 4.14Å; W81-Y354 HydrophobicContact CZ3-CE2 4.05Å; V85-Y354 HydrophobicContact CG2-CD1 4.17Å; V85-Y354 HydrophobicContact CG2-CG 4.39Å; Y354-G356 PolarHBondContact O-N 3.03Å; Y354-L357 WeakPolarHBondContact O-CB 3.29Å; Y354-L357 PolarHBondContact O-N 3.49Å; Y354-L357 VanDerWaalsContact O-N 3.11Å; Y354-F358 HydrophobicContact CD2-CD1 4.44Å; Y354-F358 AromaticContact CD2-CE1 3.37Å; Y354-F358 HydrophobicContact CD2-CE1 3.37Å; Y354-F358 AromaticContact CD2-CZ 3.49Å; Y354-F358 HydrophobicContact CD2-CZ 3.49Å; Y354-F358 VanDerWaalsContact CD2-CZ 3.49Å; Y354-F358 AromaticContact CE2-CE1 3.87Å; Y354-F358 HydrophobicContact CE2-CE1 3.87Å; Y354-F358 AromaticContact CE2-CZ 3.67Å; Y354-F358 HydrophobicContact CE2-CZ 3.67Å; Y354-F358 HydrophobicContact CG-CE1 4.34Å
355	N	88.9	Confident	94.5	Very high	98 Å²	98	41.1 Å²	41.1	52%	0.524	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	59.4	29.5	-177.8	-61.1	1.2	0	0	0	114.4	V85 A89 A353	V85-N355 HydrophobicContact CG1-CB 4.49Å; A89-N355 HydrophobicContact CB-CB 3.86Å; A353-N355 PolarHBondContact O-N 3.41Å
356	G	88.8	Confident	94.4	Very high	13 Å²	13	42.9 Å²	42.9	13%	0.134	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	78.1	24.3	-177.6	0	0	0	0	0	113.1	G134 A353 Y354 F358	G134-G356 VanDerWaalsContact CA-O 3.28Å; G134-G356 WeakPolarHBondContact CA-O 3.39Å; A353-G356 PolarHBondContact O-N 3.48Å; Y354-G356 PolarHBondContact O-N 3.03Å; G356-F358 PolarHBondContact O-N 3.2Å
357	L	93.8	Very high	94.2	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-44.1	165.4	-175.4	67.5	0	0	0	109.9	W81 L84 Y88 A89 L164 H168 A353 Y354	W81-L357 HydrophobicContact CE3-CD2 4.15Å; W81-L357 HydrophobicContact CZ3-CD2 3.95Å; L84-L357 HydrophobicContact CB-CD1 4.32Å; L84-L357 HydrophobicContact CB-CD2 3.74Å; L84-L357 HydrophobicContact CD1-CD2 4.35Å; Y88-L357 HydrophobicContact CD2-CD1 4.31Å; Y88-L357 HydrophobicContact CG-CD1 4.45Å; A89-L357 HydrophobicContact CB-CB 4.42Å; L164-L357 HydrophobicContact CD1-CD2 4.04Å; L164-L357 HydrophobicContact CD1-CG 4.45Å; H168-L357 PolarHBondContact CE1-O 2.84Å; H168-L357 WeakPolarHBondContact NE2-CD1 3.25Å; H168-L357 PolarHBondContact NE2-O 2.93Å; A353-L357 PolarHBondContact O-N 3.49Å; Y354-L357 WeakPolarHBondContact O-CB 3.29Å; Y354-L357 PolarHBondContact O-N 3.49Å; Y354-L357 VanDerWaalsContact O-N 3.11Å
358	F	95.9	Very high	94.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	169.5	172.2	61.4	-89.7	0	0	0	110.3	W81 L164 I180 I182 A353 Y354 G356 W360	W81-F358 AromaticContact CH2-CE1 3.81Å; W81-F358 HydrophobicContact CH2-CE1 3.81Å; W81-F358 HydrophobicContact CH2-CZ 4.23Å; W81-F358 HydrophobicContact CZ3-CD1 4.49Å; W81-F358 AromaticContact CZ3-CE1 3.62Å; W81-F358 HydrophobicContact CZ3-CE1 3.62Å; W81-F358 HydrophobicContact CZ3-CZ 4.41Å; L164-F358 HydrophobicContact CD1-CD1 3.43Å; L164-F358 VanDerWaalsContact CD1-CD1 3.43Å; L164-F358 HydrophobicContact CD1-CE1 3.68Å; L164-F358 HydrophobicContact CD1-CG 4.34Å; L164-F358 HydrophobicContact CD2-CB 3.94Å; L164-F358 HydrophobicContact CD2-CD1 4.01Å; L164-F358 HydrophobicContact CD2-CG 4.26Å; L164-F358 HydrophobicContact CG-CD1 4.38Å; I180-F358 HydrophobicContact CB-CB 4.27Å; I180-F358 HydrophobicContact CG2-CB 4.45Å; I180-F358 WeakPolarHBondContact O-CA 3.36Å; I180-F358 WeakPolarHBondContact O-CB 3.33Å; I182-F358 HydrophobicContact CB-CD2 3.92Å; I182-F358 HydrophobicContact CB-CE2 4.17Å; I182-F358 HydrophobicContact CG1-CB 4.09Å; I182-F358 HydrophobicContact CG1-CD2 3.38Å; I182-F358 HydrophobicContact CG1-CE2 3.92Å; I182-F358 HydrophobicContact CG1-CG 3.79Å; A353-F358 HydrophobicContact CB-CD2 4.06Å; A353-F358 HydrophobicContact CB-CE1 4.26Å; A353-F358 HydrophobicContact CB-CE2 3.5Å; A353-F358 HydrophobicContact CB-CZ 3.64Å; A353-F358 PolarHBondContact N-O 3.42Å; Y354-F358 HydrophobicContact CD2-CD1 4.44Å; Y354-F358 AromaticContact CD2-CE1 3.37Å; Y354-F358 HydrophobicContact CD2-CE1 3.37Å; Y354-F358 AromaticContact CD2-CZ 3.49Å; Y354-F358 HydrophobicContact CD2-CZ 3.49Å; Y354-F358 VanDerWaalsContact CD2-CZ 3.49Å; Y354-F358 AromaticContact CE2-CE1 3.87Å; Y354-F358 HydrophobicContact CE2-CE1 3.87Å; Y354-F358 AromaticContact CE2-CZ 3.67Å; Y354-F358 HydrophobicContact CE2-CZ 3.67Å; Y354-F358 HydrophobicContact CG-CE1 4.34Å; G356-F358 PolarHBondContact O-N 3.2Å; F358-W360 HydrophobicContact CD2-CB 4.41Å; F358-W360 HydrophobicContact CE2-CB 3.97Å; F358-W360 HydrophobicContact CE2-CD2 4.41Å; F358-W360 AromaticContact CE2-CE3 3.72Å; F358-W360 HydrophobicContact CE2-CE3 3.72Å; F358-W360 HydrophobicContact CZ-CE3 4.43Å
359	Y	95.7	Very high	94.1	Very high	23 Å²	23	36.4 Å²	36.4	9%	0.09	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.7	173.5	-158.9	-78.7	0	0	0	109.9	V133 I180 F181 I182 V207 S350 P352 V361	V133-Y359 WeakPolarHBondContact O-CD2 3.47Å; I180-Y359 PolarHBondContact O-N 3.23Å; F181-Y359 WeakPolarHBondContact CA-O 3.36Å; F181-Y359 AromaticContact CD1-CD1 3.81Å; F181-Y359 HydrophobicContact CD1-CD1 3.81Å; F181-Y359 AromaticContact CD1-CG 3.89Å; F181-Y359 HydrophobicContact CD1-CG 3.89Å; F181-Y359 AromaticContact CE1-CD1 3.83Å; F181-Y359 HydrophobicContact CE1-CD1 3.83Å; F181-Y359 HydrophobicContact CE1-CD2 4.36Å; F181-Y359 AromaticContact CE1-CG 3.7Å; F181-Y359 HydrophobicContact CE1-CG 3.7Å; I182-Y359 PolarHBondContact N-O 3.04Å; V207-Y359 HydrophobicContact CG2-CD2 3.52Å; V207-Y359 HydrophobicContact CG2-CE2 3.56Å; V207-Y359 HydrophobicContact CG2-CG 4.17Å; S350-Y359 WeakPolarHBondContact OG-CE1 3.23Å; S350-Y359 PolarHBondContact OG-OH 3.41Å; P352-Y359 HydrophobicContact CB-CD2 4.4Å; Y359-V361 HydrophobicContact CD1-CG2 3.82Å; Y359-V361 HydrophobicContact CE1-CG2 3.99Å
360	W	97	Very high	94.1	Very high	34 Å²	34	32.9 Å²	32.9	13%	0.129	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132	-179.5	-177.8	-103.6	0	0	0	110.7	Y153 I182 N184 E349 S350 Y351 A353 F358	Y153-W360 AromaticContact CD1-CH2 3.79Å; Y153-W360 HydrophobicContact CD1-CH2 3.79Å; Y153-W360 AromaticContact CD1-CZ3 3.79Å; Y153-W360 HydrophobicContact CD1-CZ3 3.79Å; Y153-W360 AromaticContact CE1-CH2 3.7Å; Y153-W360 HydrophobicContact CE1-CH2 3.7Å; Y153-W360 AromaticContact CE1-CZ3 3.89Å; Y153-W360 HydrophobicContact CE1-CZ3 3.89Å; I182-W360 HydrophobicContact CB-CE3 3.96Å; I182-W360 HydrophobicContact CB-CZ3 4.38Å; I182-W360 HydrophobicContact CG2-CE3 3.72Å; I182-W360 HydrophobicContact CG2-CZ3 3.62Å; N184-W360 HydrophobicContact CB-CD2 4.49Å; N184-W360 HydrophobicContact CB-CE3 4.45Å; N184-W360 HydrophobicContact CB-CH2 3.45Å; N184-W360 VanDerWaalsContact CB-CH2 3.45Å; N184-W360 HydrophobicContact CB-CZ2 3.41Å; N184-W360 VanDerWaalsContact CB-CZ2 3.41Å; N184-W360 HydrophobicContact CB-CZ3 3.99Å; N184-W360 VanDerWaalsContact CG-CZ2 3.48Å; E349-W360 PolarHBondContact OE2-NE1 2.87Å; E349-W360 VanDerWaalsContact OE2-NE1 3.07Å; S350-W360 WeakPolarHBondContact CA-O 3.26Å; Y351-W360 HydrophobicContact CE1-CB 4.35Å; Y351-W360 AromaticContact CE1-CD1 3.41Å; Y351-W360 VanDerWaalsContact CE1-CD1 3.41Å; Y351-W360 HydrophobicContact CE1-CG 4.18Å; Y351-W360 HydrophobicContact CE2-CB 4.41Å; Y351-W360 AromaticContact CZ-CD1 3.72Å; Y351-W360 PolarHBondContact N-O 3.11Å; Y351-W360 PolarHBondContact O-N 2.9Å; A353-W360 HydrophobicContact CB-CB 3.97Å; F358-W360 HydrophobicContact CD2-CB 4.41Å; F358-W360 HydrophobicContact CE2-CB 3.97Å; F358-W360 HydrophobicContact CE2-CD2 4.41Å; F358-W360 AromaticContact CE2-CE3 3.72Å; F358-W360 HydrophobicContact CE2-CE3 3.72Å; F358-W360 HydrophobicContact CZ-CE3 4.43Å
361	V	96.9	Very high	94	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	116.4	171.3	-175.2	0	0	0	0	107.6	I182 I183 N184 V199 E203 L347 E349 Y359 I363	I182-V361 PolarHBondContact O-N 3.15Å; I183-V361 CarbonylContact C-O 3.53Å; I183-V361 WeakPolarHBondContact CA-O 3.22Å; I183-V361 HydrophobicContact CD1-CB 3.79Å; I183-V361 HydrophobicContact CD1-CG1 4.48Å; I183-V361 HydrophobicContact CD1-CG2 3.91Å; N184-V361 PolarHBondContact N-O 3.3Å; V199-V361 HydrophobicContact CG1-CG1 4.39Å; E203-V361 HydrophobicContact CB-CG1 4.23Å; E203-V361 HydrophobicContact CB-CG2 4.29Å; E203-V361 HydrophobicContact CG-CG1 4.16Å; L347-V361 HydrophobicContact CD1-CG1 3.65Å; E349-V361 CarbonylContact O-C 3.53Å; E349-V361 WeakPolarHBondContact O-CA 3.37Å; Y359-V361 HydrophobicContact CD1-CG2 3.82Å; Y359-V361 HydrophobicContact CE1-CG2 3.99Å; V361-I363 HydrophobicContact CG1-CG2 3.98Å
362	S	97.8	Very high	94.3	Very high	7 Å²	7	28.3 Å²	28.3	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.3	175.7	-168.3	0	0	0	0	109.8	N184 L348 E349	N184-S362 PolarHBondContact ND2-OG 2.95Å; N184-S362 WeakPolarHBondContact O-CA 3.44Å; L348-S362 WeakPolarHBondContact CB-O 3.49Å; L348-S362 PolarHBondContact N-O 2.93Å; E349-S362 PolarHBondContact N-O 2.79Å; E349-S362 PolarHBondContact O-N 2.86Å
363	I	98	Very high	94.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.6	-179	66.3	78.9	0	0	0	111.8	N184 A186 L196 V199 Y345 T346 L347 V361 P365	N184-I363 PolarHBondContact O-N 3.05Å; A186-I363 WeakPolarHBondContact CB-O 3.38Å; A186-I363 PolarHBondContact N-O 2.96Å; L196-I363 HydrophobicContact CD2-CD1 3.58Å; L196-I363 HydrophobicContact CD2-CG1 3.78Å; V199-I363 HydrophobicContact CG1-CG1 4.35Å; V199-I363 HydrophobicContact CG1-CG2 3.87Å; V199-I363 HydrophobicContact CG2-CG1 4.5Å; Y345-I363 HydrophobicContact CD2-CB 3.97Å; Y345-I363 HydrophobicContact CD2-CG2 3.64Å; Y345-I363 HydrophobicContact CE2-CG2 4.09Å; T346-I363 CarbonylContact O-C 3.41Å; T346-I363 WeakPolarHBondContact O-CA 3.36Å; T346-I363 WeakPolarHBondContact O-CB 3.41Å; L347-I363 HydrophobicContact CD1-CG2 3.91Å; V361-I363 HydrophobicContact CG1-CG2 3.98Å; I363-P365 HydrophobicContact CD1-CG 3.92Å
364	S	96.9	Very high	94.6	Very high	40 Å²	40	30.6 Å²	30.6	28%	0.28	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124	160.6	-177.7	0	0	0	0	108.6	Y345 T346	Y345-S364 CarbonylContact C-O 3.58Å; Y345-S364 VanDerWaalsContact CA-O 3.26Å; Y345-S364 WeakPolarHBondContact CA-O 3.43Å; Y345-S364 WeakPolarHBondContact CB-O 3.49Å; T346-S364 PolarHBondContact N-O 3.03Å; T346-S364 PolarHBondContact O-N 3.01Å
365	P	93.5	Very high	94.8	Very high	46 Å²	46	24.2 Å²	24.2	30%	0.299	14%	0.139	S	C	.	.			trans	-57.2	0	168.9	-24.2	36.5	0	0	0	112.7	Q185 L195 F277 I363	Q185-P365 HydrophobicContact CG-CG 3.76Å; L195-P365 HydrophobicContact CD2-CB 3.57Å; L195-P365 HydrophobicContact CD2-CG 3.91Å; F277-P365 HydrophobicContact CE1-CB 4.19Å; F277-P365 HydrophobicContact CZ-CB 4.41Å; I363-P365 HydrophobicContact CD1-CG 3.92Å

Retrieved 365 of 365 residues in 689.5 ms (Link to these results)

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