A0A096N3C0_PAPAN Loading...

Beta-1,4-galactosyltransferase

Responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids.

AlphaFold DB , UniProt , Accession A0A096N3C0, Species PAPAN (Papio anubis, Olive baboon), Gene B4GALT4, Length 344 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	39.1	Very low	52.1	Low	238 Å²	238	145 Å²	145	100%	1.172	76%	0.755	S	S	*	*				0	103.7	0	-78.3	165.4	110.3	0	0	107.9
2	G	41.1	Very low	53.8	Low	84 Å²	84	147.2 Å²	147.2	87%	0.866	75%	0.754	S	S	*	*			trans	-89.2	119.4	175.8	0	0	0	0	0	110
3	F	41.3	Very low	55.7	Low	187 Å²	187	141.9 Å²	141.9	82%	0.82	73%	0.728	S	S	*	*			trans	-87.6	106.4	172.1	-103.2	-91.1	0	0	0	109	L5	F3-L5 PolarHBondContact O-N 3.47Å
4	N	42.5	Very low	57.3	Low	160 Å²	160	141.8 Å²	141.8	86%	0.856	71%	0.714	S	S	*	*			trans	-80.6	108.1	163.7	-98.3	-23	0	0	0	108.2
5	L	40	Very low	58.7	Low	134 Å²	134	137.9 Å²	137.9	70%	0.702	70%	0.696	S	S	*	*			trans	-92.1	99	175.3	-157.2	75.7	0	0	0	109.1	F3 F7	F3-L5 PolarHBondContact O-N 3.47Å; L5-F7 HydrophobicContact CD2-CD2 4.19Å; L5-F7 HydrophobicContact CD2-CE2 3.64Å; L5-F7 HydrophobicContact CD2-CZ 4.4Å; L5-F7 HydrophobicContact CG-CE2 4.46Å; L5-F7 PolarHBondContact O-N 3.16Å
6	T	48.8	Very low	60.3	Low	122 Å²	122	135.9 Å²	135.9	75%	0.748	69%	0.687	S	S	*	*			trans	-80.6	103.9	173.5	37.2	0	0	0	0	110.1	H8	T6-H8 PolarHBondContact O-N 3.35Å; T6-H8 VanDerWaalsContact O-N 3.16Å
7	F	52.4	Low	61.8	Low	168 Å²	168	133.5 Å²	133.5	74%	0.737	68%	0.675	S	S	*	*			trans	-73.9	100	171.5	-96.1	-88.3	0	0	0	110.6	L5 L9	L5-F7 HydrophobicContact CD2-CD2 4.19Å; L5-F7 HydrophobicContact CD2-CE2 3.64Å; L5-F7 HydrophobicContact CD2-CZ 4.4Å; L5-F7 HydrophobicContact CG-CE2 4.46Å; L5-F7 PolarHBondContact O-N 3.16Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.01Å
8	H	55.3	Low	63.1	Low	181 Å²	181	131.7 Å²	131.7	84%	0.838	67%	0.667	S	S	*	*			trans	-75.6	84.8	166.4	-104.2	-77	0	0	0	109.9	T6 S10	T6-H8 PolarHBondContact O-N 3.35Å; T6-H8 VanDerWaalsContact O-N 3.16Å; H8-S10 PolarHBondContact O-N 3.41Å
9	L	60.2	Low	64.4	Low	63 Å²	63	130 Å²	130	33%	0.33	66%	0.66	S	S	.	*			trans	-67.7	117.9	172.7	-146.8	76.2	0	0	0	109.4	F7 L13 R14 L17	F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.01Å; L9-L13 HydrophobicContact CD1-CD2 3.53Å; L9-L13 HydrophobicContact CD1-CG 4.37Å; L9-L13 HydrophobicContact CD2-CB 4.47Å; L9-L13 HydrophobicContact CD2-CD2 4.09Å; L9-L13 HydrophobicContact CD2-CG 4.03Å; L9-L13 HydrophobicContact CG-CB 4.23Å; L9-L13 HydrophobicContact CG-CD2 3.67Å; L9-L13 HydrophobicContact CG-CG 4.02Å; L9-R14 HydrophobicContact CB-CG 4.4Å; L9-R14 HydrophobicContact CD2-CG 4.03Å; L9-L17 HydrophobicContact CD2-CD1 3.9Å
10	S	76.8	Confident	65.4	Low	74 Å²	74	127.1 Å²	127.1	52%	0.517	65%	0.648	S	S	.	*			trans	-50.7	138.7	177.9	168.4	0	0	0	0	111.5	H8 K12 L13 R14	H8-S10 PolarHBondContact O-N 3.41Å; S10-K12 PolarHBondContact O-N 3Å; S10-K12 VanDerWaalsContact O-N 3.1Å; S10-K12 PolarHBondContact OG-N 3.28Å; S10-L13 WeakPolarHBondContact O-CB 3.43Å; S10-L13 PolarHBondContact O-N 3.46Å; S10-R14 PolarHBondContact O-N 3.32Å
11	Y	75.9	Confident	66.5	Low	184 Å²	184	126 Å²	126	72%	0.722	64%	0.644	S	S	*	*	H	α-helix	trans	-50.3	-37.2	178.5	177.7	-97	0	0	0	112.6	L13 R14 L15	Y11-L13 VanDerWaalsContact C-N 3.33Å; Y11-L13 PolarHBondContact O-N 3.24Å; Y11-R14 PolarHBondContact O-N 3.2Å; Y11-L15 PolarHBondContact O-N 3.39Å
12	K	72.1	Confident	68.7	Low	171 Å²	171	118.3 Å²	118.3	74%	0.743	61%	0.613	S	S	*	*	H	α-helix	trans	-63	-36.7	176.8	-69.9	-174.3	176.9	-176.6	0	112.8	S10 L16	S10-K12 PolarHBondContact O-N 3Å; S10-K12 VanDerWaalsContact O-N 3.1Å; S10-K12 PolarHBondContact OG-N 3.28Å; K12-L16 WeakPolarHBondContact O-CB 3.3Å; K12-L16 PolarHBondContact O-N 3.49Å
13	L	78.7	Confident	70.9	Confident	79 Å²	79	120.3 Å²	120.3	41%	0.414	60%	0.603	S	S	.	*	H	α-helix	trans	-74.6	-35.9	178.8	-174.4	55.9	0	0	0	111.5	L9 S10 Y11 L16 L17	L9-L13 HydrophobicContact CD1-CD2 3.53Å; L9-L13 HydrophobicContact CD1-CG 4.37Å; L9-L13 HydrophobicContact CD2-CB 4.47Å; L9-L13 HydrophobicContact CD2-CD2 4.09Å; L9-L13 HydrophobicContact CD2-CG 4.03Å; L9-L13 HydrophobicContact CG-CB 4.23Å; L9-L13 HydrophobicContact CG-CD2 3.67Å; L9-L13 HydrophobicContact CG-CG 4.02Å; S10-L13 WeakPolarHBondContact O-CB 3.43Å; S10-L13 PolarHBondContact O-N 3.46Å; Y11-L13 VanDerWaalsContact C-N 3.33Å; Y11-L13 PolarHBondContact O-N 3.24Å; L13-L16 PolarHBondContact O-N 2.95Å; L13-L17 HydrophobicContact CG-CD1 4.47Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.46Å
14	R	78.4	Confident	72.9	Confident	140 Å²	140	115.6 Å²	115.6	53%	0.528	59%	0.589	S	S	.	*	H	α-helix	trans	-64	-41.1	172	-67.8	-176.2	-178.6	-170.5	-1.2	112.1	L9 S10 Y11 L17 L18	L9-R14 HydrophobicContact CB-CG 4.4Å; L9-R14 HydrophobicContact CD2-CG 4.03Å; S10-R14 PolarHBondContact O-N 3.32Å; Y11-R14 PolarHBondContact O-N 3.2Å; R14-L17 PolarHBondContact O-N 3.2Å; R14-L18 PolarHBondContact O-N 3Å
15	L	78.5	Confident	75	Confident	84 Å²	84	112 Å²	112	44%	0.44	57%	0.573	S	S	.	*	H	α-helix	trans	-65.3	-40.5	176.6	-171.1	68.3	0	0	0	111.7	Y11 L18 L19	Y11-L15 PolarHBondContact O-N 3.39Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-L19 HydrophobicContact CG-CD1 4.35Å; L15-L19 PolarHBondContact O-N 2.88Å
16	L	84.2	Confident	76.9	Confident	106 Å²	106	109.9 Å²	109.9	56%	0.555	57%	0.565	S	S	*	*	H	α-helix	trans	-62.4	-44.9	175.9	-158	84.4	0	0	0	111.3	K12 L13 L18 L19 T20	K12-L16 WeakPolarHBondContact O-CB 3.3Å; K12-L16 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 2.95Å; L16-L18 PolarHBondContact O-N 3.1Å; L16-L19 PolarHBondContact O-N 3.28Å; L16-T20 WeakPolarHBondContact O-CG2 3.45Å; L16-T20 PolarHBondContact O-N 3.05Å; L16-T20 PolarHBondContact O-OG1 3.01Å
17	L	86	Confident	78.5	Confident	94 Å²	94	105.8 Å²	105.8	49%	0.492	55%	0.547	S	S	.	.	H	α-helix	trans	-61.8	-41.8	177	-72.7	167	0	0	0	112	L9 L13 R14 T20 L21	L9-L17 HydrophobicContact CD2-CD1 3.9Å; L13-L17 HydrophobicContact CG-CD1 4.47Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.46Å; R14-L17 PolarHBondContact O-N 3.2Å; L17-T20 WeakPolarHBondContact CA-OG1 3.28Å; L17-T20 PolarHBondContact O-N 2.72Å; L17-T20 PolarHBondContact O-OG1 3.4Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 PolarHBondContact O-N 2.97Å
18	L	84.5	Confident	79.7	Confident	102 Å²	102	106.4 Å²	106.4	53%	0.534	55%	0.545	S	S	.	.	H	α-helix	trans	-62.8	-43.4	174.8	-88	156.7	0	0	0	112.6	R14 L15 L16 L21 C22	R14-L18 PolarHBondContact O-N 3Å; L15-L18 PolarHBondContact O-N 3.42Å; L16-L18 PolarHBondContact O-N 3.1Å; L18-L21 PolarHBondContact O-N 3.48Å; L18-C22 PolarHBondContact O-N 3.39Å
19	L	87.1	Confident	80.5	Confident	99 Å²	99	100 Å²	100	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-62.5	-44.1	176	-85.9	159.6	0	0	0	111.6	L15 L16 L21 C22 L23	L15-L19 HydrophobicContact CG-CD1 4.35Å; L15-L19 PolarHBondContact O-N 2.88Å; L16-L19 PolarHBondContact O-N 3.28Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.33Å; L19-C22 PolarHBondContact O-N 2.77Å; L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 2.87Å
20	T	85.3	Confident	81.1	Confident	71 Å²	71	100.7 Å²	100.7	44%	0.436	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-40.4	176.4	54.3	0	0	0	0	111.9	L16 L17 L23 T24	L16-T20 WeakPolarHBondContact O-CG2 3.45Å; L16-T20 PolarHBondContact O-N 3.05Å; L16-T20 PolarHBondContact O-OG1 3.01Å; L17-T20 WeakPolarHBondContact CA-OG1 3.28Å; L17-T20 PolarHBondContact O-N 2.72Å; L17-T20 PolarHBondContact O-OG1 3.4Å; T20-L23 PolarHBondContact O-N 3.39Å; T20-T24 WeakPolarHBondContact O-CG2 3.42Å; T20-T24 PolarHBondContact O-N 3.03Å; T20-T24 PolarHBondContact O-OG1 3.43Å
21	L	88.8	Confident	80.8	Confident	106 Å²	106	100.3 Å²	100.3	56%	0.555	53%	0.528	S	S	*	.	H	α-helix	trans	-62.7	-46.8	176.3	-169.9	75.1	0	0	0	111	L17 L18 L19 L23 T24 V25	L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 PolarHBondContact O-N 2.97Å; L18-L21 PolarHBondContact O-N 3.48Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.33Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L23 PolarHBondContact O-N 2.94Å; L21-T24 PolarHBondContact O-N 3.34Å; L21-T24 PolarHBondContact O-OG1 3.44Å; L21-V25 WeakPolarHBondContact O-CG2 3.35Å; L21-V25 PolarHBondContact O-N 3.34Å
22	C	85.3	Confident	80.3	Confident	76 Å²	76	95.2 Å²	95.2	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-58.6	-44.1	176.2	-79.5	0	0	0	0	112.4	L18 L19 T24 V25 V26	L18-C22 PolarHBondContact O-N 3.39Å; L19-C22 PolarHBondContact O-N 2.77Å; C22-T24 VanDerWaalsContact C-N 3.34Å; C22-T24 PolarHBondContact O-N 3.16Å; C22-V25 PolarHBondContact O-N 2.88Å; C22-V26 WeakPolarHBondContact O-CB 3.37Å; C22-V26 VanDerWaalsContact O-CG2 3.28Å; C22-V26 WeakPolarHBondContact O-CG2 3.48Å; C22-V26 PolarHBondContact O-N 3.31Å
23	L	86.4	Confident	80	Confident	126 Å²	126	96.4 Å²	96.4	66%	0.66	51%	0.514	S	S	*	.	H	α-helix	trans	-63.5	-39.4	177.8	-70.9	171.1	0	0	0	111.9	L19 T20 L21 G27	L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 2.87Å; T20-L23 PolarHBondContact O-N 3.39Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L23 PolarHBondContact O-N 2.94Å; L23-G27 PolarHBondContact O-N 3.23Å
24	T	84.9	Confident	79.1	Confident	87 Å²	87	99.6 Å²	99.6	53%	0.534	53%	0.525	S	S	.	.	H	α-helix	trans	-67.1	-38.8	175.9	59.9	0	0	0	0	112.7	T20 L21 C22 G27 W28	T20-T24 WeakPolarHBondContact O-CG2 3.42Å; T20-T24 PolarHBondContact O-N 3.03Å; T20-T24 PolarHBondContact O-OG1 3.43Å; L21-T24 PolarHBondContact O-N 3.34Å; L21-T24 PolarHBondContact O-OG1 3.44Å; C22-T24 VanDerWaalsContact C-N 3.34Å; C22-T24 PolarHBondContact O-N 3.16Å; T24-G27 PolarHBondContact O-N 3.31Å; T24-W28 VanDerWaalsContact O-CB 3.29Å; T24-W28 WeakPolarHBondContact O-CB 3.34Å; T24-W28 PolarHBondContact O-N 2.98Å
25	V	84.9	Confident	78.3	Confident	85 Å²	85	96.8 Å²	96.8	52%	0.515	52%	0.523	S	S	.	.	H	α-helix	trans	-68	-42.1	177.4	173.1	0	0	0	0	111.1	L21 C22 W28 A29	L21-V25 WeakPolarHBondContact O-CG2 3.35Å; L21-V25 PolarHBondContact O-N 3.34Å; C22-V25 PolarHBondContact O-N 2.88Å; V25-W28 PolarHBondContact O-N 3.29Å; V25-A29 VanDerWaalsContact O-CB 3.32Å; V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 2.97Å
26	V	81.4	Confident	77.3	Confident	89 Å²	89	94.4 Å²	94.4	54%	0.539	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-42.5	175.8	173.6	0	0	0	0	110.8	C22 W28 A29 T30	C22-V26 WeakPolarHBondContact O-CB 3.37Å; C22-V26 VanDerWaalsContact O-CG2 3.28Å; C22-V26 WeakPolarHBondContact O-CG2 3.48Å; C22-V26 PolarHBondContact O-N 3.31Å; V26-W28 VanDerWaalsContact C-N 3.35Å; V26-W28 PolarHBondContact O-N 3.37Å; V26-A29 PolarHBondContact O-N 2.87Å; V26-T30 HydrophobicContact CG1-CG2 4.36Å; V26-T30 WeakPolarHBondContact O-CB 3.33Å; V26-T30 VanDerWaalsContact O-CG2 3.29Å; V26-T30 WeakPolarHBondContact O-CG2 3.29Å; V26-T30 PolarHBondContact O-N 2.85Å; V26-T30 PolarHBondContact O-OG1 3.37Å
27	G	81.4	Confident	75.9	Confident	36 Å²	36	91.6 Å²	91.6	37%	0.371	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-42	173.8	0	0	0	0	0	112.7	L23 T24 T30 S31	L23-G27 PolarHBondContact O-N 3.23Å; T24-G27 PolarHBondContact O-N 3.31Å; G27-T30 WeakPolarHBondContact CA-OG1 3.2Å; G27-T30 PolarHBondContact O-OG1 3.22Å; G27-T30 VanDerWaalsContact O-OG1 3.05Å; G27-S31 VanDerWaalsContact O-CB 3.28Å; G27-S31 WeakPolarHBondContact O-CB 2.81Å; G27-S31 PolarHBondContact O-N 3.08Å
28	W	78.1	Confident	74.5	Confident	181 Å²	181	92 Å²	92	69%	0.686	51%	0.513	S	S	*	.	H	α-helix	trans	-68.1	-43.6	177.2	-175.2	79.7	0	0	0	112.5	T24 V25 V26 S31 N32	T24-W28 VanDerWaalsContact O-CB 3.29Å; T24-W28 WeakPolarHBondContact O-CB 3.34Å; T24-W28 PolarHBondContact O-N 2.98Å; V25-W28 PolarHBondContact O-N 3.29Å; V26-W28 VanDerWaalsContact C-N 3.35Å; V26-W28 PolarHBondContact O-N 3.37Å; W28-S31 PolarHBondContact O-N 3Å; W28-N32 WeakPolarHBondContact CH2-ND2 3.42Å; W28-N32 WeakPolarHBondContact CZ2-ND2 3.45Å; W28-N32 PolarHBondContact O-N 2.89Å; W28-N32 PolarHBondContact O-ND2 3.03Å
29	A	72.9	Confident	73.3	Confident	48 Å²	48	93.5 Å²	93.5	40%	0.397	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-43.5	177.6	0	0	0	0	0	112	V25 V26 Y33	V25-A29 VanDerWaalsContact O-CB 3.32Å; V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 2.97Å; V26-A29 PolarHBondContact O-N 2.87Å; A29-Y33 WeakPolarHBondContact O-CB 3.14Å; A29-Y33 PolarHBondContact O-N 2.93Å
30	T	71.8	Confident	71.9	Confident	77 Å²	77	94.2 Å²	94.2	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-68.4	-36.7	178.3	51.4	0	0	0	0	112.4	V26 G27 Y33 F34	V26-T30 HydrophobicContact CG1-CG2 4.36Å; V26-T30 WeakPolarHBondContact O-CB 3.33Å; V26-T30 VanDerWaalsContact O-CG2 3.29Å; V26-T30 WeakPolarHBondContact O-CG2 3.29Å; V26-T30 PolarHBondContact O-N 2.85Å; V26-T30 PolarHBondContact O-OG1 3.37Å; G27-T30 WeakPolarHBondContact CA-OG1 3.2Å; G27-T30 PolarHBondContact O-OG1 3.22Å; G27-T30 VanDerWaalsContact O-OG1 3.05Å; T30-Y33 PolarHBondContact O-N 3.42Å; T30-F34 PolarHBondContact O-N 3.31Å
31	S	70.4	Confident	70.7	Confident	66 Å²	66	95.1 Å²	95.1	46%	0.462	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-48.7	174.1	-175.5	0	0	0	0	112.2	G27 W28 Y33 F34 V35	G27-S31 VanDerWaalsContact O-CB 3.28Å; G27-S31 WeakPolarHBondContact O-CB 2.81Å; G27-S31 PolarHBondContact O-N 3.08Å; W28-S31 PolarHBondContact O-N 3Å; S31-Y33 VanDerWaalsContact C-N 3.29Å; S31-Y33 PolarHBondContact O-N 2.78Å; S31-F34 PolarHBondContact O-N 3.46Å; S31-F34 VanDerWaalsContact O-N 3.16Å; S31-V35 WeakPolarHBondContact O-CG2 3.49Å; S31-V35 PolarHBondContact O-N 2.93Å
32	N	66.4	Low	69.4	Low	77 Å²	77	93.4 Å²	93.4	41%	0.412	51%	0.514	S	S	.	.	H	α-helix	trans	-62	-36.7	176.8	-80	-34.1	0	0	0	112.6	W28 G36	W28-N32 WeakPolarHBondContact CH2-ND2 3.42Å; W28-N32 WeakPolarHBondContact CZ2-ND2 3.45Å; W28-N32 PolarHBondContact O-N 2.89Å; W28-N32 PolarHBondContact O-ND2 3.03Å; N32-G36 PolarHBondContact O-N 3.02Å
33	Y	65.3	Low	68.1	Low	195 Å²	195	95.8 Å²	95.8	77%	0.765	52%	0.516	S	S	*	.	H	α-helix	trans	-66.1	-41.2	175.7	-138.4	-90.4	0	0	0	111.8	A29 T30 S31 G36 A37	A29-Y33 WeakPolarHBondContact O-CB 3.14Å; A29-Y33 PolarHBondContact O-N 2.93Å; T30-Y33 PolarHBondContact O-N 3.42Å; S31-Y33 VanDerWaalsContact C-N 3.29Å; S31-Y33 PolarHBondContact O-N 2.78Å; Y33-G36 PolarHBondContact O-N 3.48Å; Y33-A37 WeakPolarHBondContact O-CB 3.36Å; Y33-A37 PolarHBondContact O-N 2.94Å
34	F	60.2	Low	66.6	Low	147 Å²	147	92.4 Å²	92.4	65%	0.645	51%	0.506	S	S	*	.	H	α-helix	trans	-66.8	-41.7	175.9	-108.1	-84.5	0	0	0	112.3	T30 S31 A37 I38	T30-F34 PolarHBondContact O-N 3.31Å; S31-F34 PolarHBondContact O-N 3.46Å; S31-F34 VanDerWaalsContact O-N 3.16Å; F34-A37 PolarHBondContact O-N 2.99Å; F34-I38 HydrophobicContact CD1-CD1 4.5Å; F34-I38 WeakPolarHBondContact O-CB 3.41Å; F34-I38 WeakPolarHBondContact O-CD1 3.42Å; F34-I38 WeakPolarHBondContact O-CG1 3.5Å; F34-I38 PolarHBondContact O-N 3.35Å
35	V	61	Low	65.2	Low	81 Å²	81	95.4 Å²	95.4	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-44.1	175.8	173.8	0	0	0	0	110.8	S31 I38 Q39	S31-V35 WeakPolarHBondContact O-CG2 3.49Å; S31-V35 PolarHBondContact O-N 2.93Å; V35-I38 PolarHBondContact O-N 3.21Å; V35-Q39 PolarHBondContact O-N 2.99Å; V35-Q39 VanDerWaalsContact O-N 3.08Å
36	G	57.3	Low	64.2	Low	33 Å²	33	97.1 Å²	97.1	34%	0.34	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-42.4	174.3	0	0	0	0	0	113	N32 Y33 Q39 E40	N32-G36 PolarHBondContact O-N 3.02Å; Y33-G36 PolarHBondContact O-N 3.48Å; G36-Q39 PolarHBondContact O-N 2.94Å; G36-E40 PolarHBondContact O-N 3.48Å
37	A	54.2	Low	63.1	Low	47 Å²	47	98 Å²	98	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-39.6	175.6	0	0	0	0	0	112.4	Y33 F34 Q39 E40 I41	Y33-A37 WeakPolarHBondContact O-CB 3.36Å; Y33-A37 PolarHBondContact O-N 2.94Å; F34-A37 PolarHBondContact O-N 2.99Å; A37-Q39 PolarHBondContact O-N 3.3Å; A37-E40 PolarHBondContact O-N 3.37Å; A37-I41 WeakPolarHBondContact O-CD1 3.27Å; A37-I41 VanDerWaalsContact O-CG1 3.27Å; A37-I41 WeakPolarHBondContact O-CG1 3.49Å; A37-I41 PolarHBondContact O-N 3.38Å
38	I	57.3	Low	62.1	Low	104 Å²	104	100.1 Å²	100.1	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-27.2	176.2	-70	165	0	0	0	111.6	F34 V35 P42	F34-I38 HydrophobicContact CD1-CD1 4.5Å; F34-I38 WeakPolarHBondContact O-CB 3.41Å; F34-I38 WeakPolarHBondContact O-CD1 3.42Å; F34-I38 WeakPolarHBondContact O-CG1 3.5Å; F34-I38 PolarHBondContact O-N 3.35Å; V35-I38 PolarHBondContact O-N 3.21Å; I38-P42 WeakPolarHBondContact O-CD 3.28Å; I38-P42 WeakPolarHBondContact O-CG 3.29Å
39	Q	59.7	Low	61	Low	132 Å²	132	94.1 Å²	94.1	62%	0.617	51%	0.51	S	S	*	.	H	α-helix	trans	-81.8	-27.6	178.1	-132.8	170.9	-1	0	0	113.4	V35 G36 A37 P42	V35-Q39 PolarHBondContact O-N 2.99Å; V35-Q39 VanDerWaalsContact O-N 3.08Å; G36-Q39 PolarHBondContact O-N 2.94Å; A37-Q39 PolarHBondContact O-N 3.3Å; Q39-P42 WeakPolarHBondContact O-CD 3.44Å
40	E	57.1	Low	60.5	Low	114 Å²	114	96.1 Å²	96.1	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-78.6	-30.2	175.4	-71	-61.2	145.9	0	0	113	G36 A37 K43 A44	G36-E40 PolarHBondContact O-N 3.48Å; A37-E40 PolarHBondContact O-N 3.37Å; E40-K43 PolarHBondContact O-N 2.87Å; E40-A44 PolarHBondContact O-N 3.43Å
41	I	59.7	Low	60	Low	91 Å²	91	98.5 Å²	98.5	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-59.7	-44.3	178.1	-70.4	163.3	0	0	0	113.2	A37 A44 K45	A37-I41 WeakPolarHBondContact O-CD1 3.27Å; A37-I41 VanDerWaalsContact O-CG1 3.27Å; A37-I41 WeakPolarHBondContact O-CG1 3.49Å; A37-I41 PolarHBondContact O-N 3.38Å; I41-A44 PolarHBondContact O-N 3.36Å; I41-K45 HydrophobicContact CG2-CD 4.37Å; I41-K45 WeakPolarHBondContact O-CB 3.32Å; I41-K45 WeakPolarHBondContact O-CG 3.32Å; I41-K45 PolarHBondContact O-N 2.86Å
42	P	61.8	Low	59.3	Low	69 Å²	69	100.8 Å²	100.8	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-60.2	-43.7	174.6	-24.9	30.2	0	0	0	113	I38 Q39 K45 E46	I38-P42 WeakPolarHBondContact O-CD 3.28Å; I38-P42 WeakPolarHBondContact O-CG 3.29Å; Q39-P42 WeakPolarHBondContact O-CD 3.44Å; P42-K45 PolarHBondContact O-N 3.44Å; P42-E46 WeakPolarHBondContact O-CB 3.41Å; P42-E46 PolarHBondContact O-N 3.06Å
43	K	57.7	Low	58.5	Low	127 Å²	127	104.3 Å²	104.3	55%	0.552	53%	0.532	S	S	*	.	H	α-helix	trans	-65.1	-41.3	179.1	-71	-179.2	-178.1	171.2	0	111.8	E40 E46 L47	E40-K43 PolarHBondContact O-N 2.87Å; K43-E46 PolarHBondContact O-N 3.45Å; K43-L47 WeakPolarHBondContact O-CB 3.31Å; K43-L47 PolarHBondContact O-N 3.39Å
44	A	55.7	Low	57.9	Low	55 Å²	55	97.9 Å²	97.9	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-40	174.1	0	0	0	0	0	111.8	E40 I41 L47 V48	E40-A44 PolarHBondContact O-N 3.43Å; I41-A44 PolarHBondContact O-N 3.36Å; A44-L47 PolarHBondContact O-N 2.95Å; A44-V48 WeakPolarHBondContact O-CB 3.4Å; A44-V48 VanDerWaalsContact O-CG2 3.25Å; A44-V48 WeakPolarHBondContact O-CG2 3.45Å; A44-V48 PolarHBondContact O-N 3.23Å
45	K	55.5	Low	57.6	Low	149 Å²	149	96.8 Å²	96.8	65%	0.648	52%	0.52	S	S	*	.	H	α-helix	trans	-65.1	-39	174.4	-79.5	-176.9	176.6	-176.8	0	112.6	I41 P42 V48 A49	I41-K45 HydrophobicContact CG2-CD 4.37Å; I41-K45 WeakPolarHBondContact O-CB 3.32Å; I41-K45 WeakPolarHBondContact O-CG 3.32Å; I41-K45 PolarHBondContact O-N 2.86Å; P42-K45 PolarHBondContact O-N 3.44Å; K45-V48 PolarHBondContact O-N 3.35Å; K45-A49 VanDerWaalsContact O-CB 3.26Å; K45-A49 WeakPolarHBondContact O-CB 3.47Å; K45-A49 PolarHBondContact O-N 3.34Å
46	E	62.8	Low	57.1	Low	121 Å²	121	99 Å²	99	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-68.1	-41.4	177.5	-171.4	175.5	-178.9	0	0	111.7	P42 K43 A49 N50	P42-E46 WeakPolarHBondContact O-CB 3.41Å; P42-E46 PolarHBondContact O-N 3.06Å; K43-E46 PolarHBondContact O-N 3.45Å; E46-A49 PolarHBondContact O-N 2.85Å; E46-N50 WeakPolarHBondContact O-CB 3.35Å; E46-N50 VanDerWaalsContact O-CG 3.27Å; E46-N50 PolarHBondContact O-N 3.34Å; E46-N50 PolarHBondContact O-ND2 3.01Å
47	L	58.1	Low	56.6	Low	107 Å²	107	104.4 Å²	104.4	56%	0.56	55%	0.548	S	S	*	.	H	α-helix	trans	-59.4	-49.5	172.4	-167.2	84.8	0	0	0	110.8	K43 A44 A49 N50 F51	K43-L47 WeakPolarHBondContact O-CB 3.31Å; K43-L47 PolarHBondContact O-N 3.39Å; A44-L47 PolarHBondContact O-N 2.95Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.39Å; L47-N50 PolarHBondContact O-N 3.46Å; L47-F51 HydrophobicContact CD1-CE2 4.4Å; L47-F51 HydrophobicContact CD2-CE2 4.5Å; L47-F51 HydrophobicContact CG-CD2 4.08Å; L47-F51 HydrophobicContact CG-CE2 4.16Å; L47-F51 WeakPolarHBondContact O-CB 3.26Å; L47-F51 WeakPolarHBondContact O-CD2 3.25Å; L47-F51 PolarHBondContact O-N 3.36Å
48	V	60.7	Low	56	Low	81 Å²	81	105.7 Å²	105.7	49%	0.491	57%	0.566	S	S	.	*	H	α-helix	trans	-62.8	-39.2	178.2	170.6	0	0	0	0	111.6	A44 K45 F51 H52	A44-V48 WeakPolarHBondContact O-CB 3.4Å; A44-V48 VanDerWaalsContact O-CG2 3.25Å; A44-V48 WeakPolarHBondContact O-CG2 3.45Å; A44-V48 PolarHBondContact O-N 3.23Å; K45-V48 PolarHBondContact O-N 3.35Å; V48-F51 PolarHBondContact O-N 2.89Å; V48-H52 PolarHBondContact O-CD2 3.43Å; V48-H52 PolarHBondContact O-N 2.97Å
49	A	55.3	Low	55.3	Low	56 Å²	56	109.8 Å²	109.8	46%	0.463	58%	0.58	S	S	.	*	H	α-helix	trans	-66.7	-41.5	176.5	0	0	0	0	0	112.2	K45 E46 L47 F51 H52 K53	K45-A49 VanDerWaalsContact O-CB 3.26Å; K45-A49 WeakPolarHBondContact O-CB 3.47Å; K45-A49 PolarHBondContact O-N 3.34Å; E46-A49 PolarHBondContact O-N 2.85Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.39Å; A49-F51 VanDerWaalsContact C-N 3.35Å; A49-H52 PolarHBondContact O-N 3.5Å; A49-K53 VanDerWaalsContact O-CB 3.31Å; A49-K53 WeakPolarHBondContact O-CB 3.35Å; A49-K53 PolarHBondContact O-N 3.02Å
50	N	62.7	Low	54.3	Low	90 Å²	90	106 Å²	106	48%	0.481	58%	0.576	S	S	.	*	H	α-helix	trans	-66.4	-37.3	175	-73.2	-25.8	0	0	0	111.6	E46 L47 K53 A54	E46-N50 WeakPolarHBondContact O-CB 3.35Å; E46-N50 VanDerWaalsContact O-CG 3.27Å; E46-N50 PolarHBondContact O-N 3.34Å; E46-N50 PolarHBondContact O-ND2 3.01Å; L47-N50 PolarHBondContact O-N 3.46Å; N50-K53 PolarHBondContact O-N 3.2Å; N50-A54 PolarHBondContact O-N 3.11Å
51	F	60.5	Low	53.3	Low	127 Å²	127	110.3 Å²	110.3	56%	0.557	59%	0.593	S	S	*	*	H	α-helix	trans	-63.1	-46.5	171.5	-98.6	-91.1	0	0	0	112.2	L47 V48 A49 K53 A54 L55	L47-F51 HydrophobicContact CD1-CE2 4.4Å; L47-F51 HydrophobicContact CD2-CE2 4.5Å; L47-F51 HydrophobicContact CG-CD2 4.08Å; L47-F51 HydrophobicContact CG-CE2 4.16Å; L47-F51 WeakPolarHBondContact O-CB 3.26Å; L47-F51 WeakPolarHBondContact O-CD2 3.25Å; L47-F51 PolarHBondContact O-N 3.36Å; V48-F51 PolarHBondContact O-N 2.89Å; A49-F51 VanDerWaalsContact C-N 3.35Å; F51-K53 VanDerWaalsContact C-N 3.32Å; F51-K53 PolarHBondContact O-N 3.28Å; F51-A54 PolarHBondContact O-N 3.46Å; F51-L55 PolarHBondContact O-N 2.9Å
52	H	55.6	Low	51.9	Low	114 Å²	114	112 Å²	112	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-63.9	-37.3	175.5	-89.8	-72.2	0	0	0	112.5	V48 A49 L55 I56	V48-H52 PolarHBondContact O-CD2 3.43Å; V48-H52 PolarHBondContact O-N 2.97Å; A49-H52 PolarHBondContact O-N 3.5Å; H52-L55 WeakPolarHBondContact O-CB 3.33Å; H52-L55 PolarHBondContact O-N 3.47Å; H52-I56 WeakPolarHBondContact O-CG1 3.46Å; H52-I56 PolarHBondContact O-N 3.36Å
53	K	49.9	Very low	50.7	Low	150 Å²	150	117.2 Å²	117.2	65%	0.652	63%	0.631	S	S	*	*	H	α-helix	trans	-66.5	-38.4	177	-165.2	175.8	-178.2	-178	0	111.7	A49 N50 F51 L55 I56 L57	A49-K53 VanDerWaalsContact O-CB 3.31Å; A49-K53 WeakPolarHBondContact O-CB 3.35Å; A49-K53 PolarHBondContact O-N 3.02Å; N50-K53 PolarHBondContact O-N 3.2Å; F51-K53 VanDerWaalsContact C-N 3.32Å; F51-K53 PolarHBondContact O-N 3.28Å; K53-L55 VanDerWaalsContact C-N 3.34Å; K53-I56 PolarHBondContact O-N 2.96Å; K53-L57 WeakPolarHBondContact O-CB 3.47Å; K53-L57 PolarHBondContact O-N 2.86Å
54	A	53.9	Low	49.6	Very low	61 Å²	61	116 Å²	116	50%	0.504	63%	0.634	S	S	.	*	H	α-helix	trans	-63.6	-39.7	171.3	0	0	0	0	0	112	N50 F51 I56 L57 G58	N50-A54 PolarHBondContact O-N 3.11Å; F51-A54 PolarHBondContact O-N 3.46Å; A54-I56 VanDerWaalsContact C-N 3.32Å; A54-I56 PolarHBondContact O-N 3.33Å; A54-L57 PolarHBondContact O-N 2.94Å; A54-G58 PolarHBondContact O-N 3.31Å; A54-G58 VanDerWaalsContact O-N 3.07Å
55	L	53.8	Low	49.1	Very low	124 Å²	124	121.7 Å²	121.7	65%	0.649	66%	0.657	S	S	*	*	H	α-helix	trans	-65.9	-32.1	176.8	-136.8	136.6	0	0	0	112.9	F51 H52 K53	F51-L55 PolarHBondContact O-N 2.9Å; H52-L55 WeakPolarHBondContact O-CB 3.33Å; H52-L55 PolarHBondContact O-N 3.47Å; K53-L55 VanDerWaalsContact C-N 3.34Å
56	I	49.6	Very low	48.4	Very low	126 Å²	126	122.9 Å²	122.9	65%	0.646	67%	0.665	S	S	*	*	H	α-helix	trans	-80.7	-37.1	175.8	-67.7	172.7	0	0	0	111.2	H52 K53 A54 G58 K59	H52-I56 WeakPolarHBondContact O-CG1 3.46Å; H52-I56 PolarHBondContact O-N 3.36Å; K53-I56 PolarHBondContact O-N 2.96Å; A54-I56 VanDerWaalsContact C-N 3.32Å; A54-I56 PolarHBondContact O-N 3.33Å; I56-G58 VanDerWaalsContact C-N 3.32Å; I56-G58 PolarHBondContact O-N 2.88Å; I56-K59 PolarHBondContact O-N 3.29Å; I56-K59 VanDerWaalsContact O-N 3.11Å
57	L	46.3	Very low	47.3	Very low	147 Å²	147	121.7 Å²	121.7	77%	0.77	68%	0.676	S	S	*	*	H	α-helix	trans	-69	-30.3	179.1	-159.7	71.5	0	0	0	112.3	K53 A54 K59	K53-L57 WeakPolarHBondContact O-CB 3.47Å; K53-L57 PolarHBondContact O-N 2.86Å; A54-L57 PolarHBondContact O-N 2.94Å; L57-K59 PolarHBondContact O-N 3.43Å
58	G	43.3	Very low	46.4	Very low	74 Å²	74	121.8 Å²	121.8	76%	0.763	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-5.7	171.3	0	0	0	0	0	115	A54 I56	A54-G58 PolarHBondContact O-N 3.31Å; A54-G58 VanDerWaalsContact O-N 3.07Å; I56-G58 VanDerWaalsContact C-N 3.32Å; I56-G58 PolarHBondContact O-N 2.88Å
59	K	42	Very low	45.6	Very low	191 Å²	191	124 Å²	124	83%	0.83	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	4.7	-176.1	-126.8	177.2	-176.7	-179.8	0	114.4	I56 L57	I56-K59 PolarHBondContact O-N 3.29Å; I56-K59 VanDerWaalsContact O-N 3.11Å; L57-K59 PolarHBondContact O-N 3.43Å
60	G	38.4	Very low	45.2	Very low	52 Å²	52	130.4 Å²	130.4	54%	0.536	72%	0.717	S	S	.	*			trans	-116.7	116.9	-173.9	0	0	0	0	0	114.8
61	K	35.6	Very low	45	Very low	205 Å²	205	135.6 Å²	135.6	89%	0.891	74%	0.735	S	S	*	*			trans	86.1	112	177	-60.2	175.4	175.3	178.1	0	112.9
62	T	30.1	Very low	45.4	Very low	126 Å²	126	133.8 Å²	133.8	77%	0.773	74%	0.743	S	S	*	*				-140.7	126.3	57.8	-18.2	0	0	0	0	112.2	T64	T62-T64 HydrophobicContact CG2-CG2 4.34Å
63	L	37.5	Very low	46.8	Very low	178 Å²	178	137.1 Å²	137.1	93%	0.932	76%	0.759	S	S	*	*			trans	-99.2	102.3	160.6	-87	162.2	0	0	0	107
64	T	34	Very low	48.7	Very low	102 Å²	102	134.3 Å²	134.3	63%	0.626	75%	0.751	S	S	*	*			trans	-117.7	126.9	161.1	41.8	0	0	0	0	107.1	T62 E66	T62-T64 HydrophobicContact CG2-CG2 4.34Å; T64-E66 PolarHBondContact O-N 3.05Å
65	N	45.1	Very low	50.7	Low	174 Å²	174	138 Å²	138	93%	0.93	76%	0.762	S	S	*	*			trans	-61.3	104.4	176	-75.9	-29	0	0	0	109.5
66	E	40.4	Very low	52.8	Low	175 Å²	175	137 Å²	137	82%	0.818	76%	0.758	S	S	*	*			trans	-118.7	134	165.1	-76.8	-174.4	167	0	0	109.6	T64 S68	T64-E66 PolarHBondContact O-N 3.05Å; E66-S68 PolarHBondContact O-N 3.07Å
67	A	39.9	Very low	55.1	Low	95 Å²	95	131.3 Å²	131.3	79%	0.785	73%	0.729	S	S	*	*			trans	-49.6	125.9	-177.9	0	0	0	0	0	111.2	T69	A67-T69 VanDerWaalsContact C-N 3.28Å; A67-T69 PolarHBondContact O-N 3.02Å
68	S	40.4	Very low	57.5	Low	109 Å²	109	127.5 Å²	127.5	76%	0.762	71%	0.712	S	S	*	*			trans	-70.4	83.5	178.5	-175.1	0	0	0	0	110.4	E66 K70	E66-S68 PolarHBondContact O-N 3.07Å; S68-K70 PolarHBondContact O-N 2.62Å
69	T	43.4	Very low	59.9	Low	127 Å²	127	128.1 Å²	128.1	78%	0.779	71%	0.705	S	S	*	*			trans	-69	104.4	150.5	-39.7	0	0	0	0	105.1	A67 K71	A67-T69 VanDerWaalsContact C-N 3.28Å; A67-T69 PolarHBondContact O-N 3.02Å; T69-K71 VanDerWaalsContact C-N 3.27Å; T69-K71 PolarHBondContact O-N 2.78Å
70	K	47.2	Very low	62.4	Low	192 Å²	192	123.4 Å²	123.4	84%	0.835	69%	0.692	S	S	*	*			trans	-58	93.2	173.8	-76.2	-175.6	177.9	-178.5	0	108.3	S68 A72	S68-K70 PolarHBondContact O-N 2.62Å; K70-A72 PolarHBondContact O-N 2.83Å; K70-A72 VanDerWaalsContact O-N 3.15Å
71	K	58.2	Low	65.2	Low	198 Å²	198	121.5 Å²	121.5	86%	0.861	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-59.8	117.5	168.7	-159	175.1	-173.6	179.2	0	105.3	T69 E73	T69-K71 VanDerWaalsContact C-N 3.27Å; T69-K71 PolarHBondContact O-N 2.78Å; K71-E73 PolarHBondContact O-N 2.83Å; K71-E73 VanDerWaalsContact O-N 3.16Å
72	A	68.4	Low	68.2	Low	89 Å²	89	116.3 Å²	116.3	74%	0.736	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-51.1	125.5	176.6	0	0	0	0	0	108.2	K70 L74	K70-A72 PolarHBondContact O-N 2.83Å; K70-A72 VanDerWaalsContact O-N 3.15Å; A72-L74 PolarHBondContact O-N 3.46Å
73	E	84.8	Confident	71.4	Confident	184 Å²	184	115.7 Å²	115.7	86%	0.86	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-68.4	117.6	-179.8	-164.1	172.7	-174.8	0	0	107.4	K71	K71-E73 PolarHBondContact O-N 2.83Å; K71-E73 VanDerWaalsContact O-N 3.16Å
74	L	90.4	Very high	74.3	Confident	91 Å²	91	108.4 Å²	108.4	48%	0.476	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-67.8	136.6	-179.4	-70	169.5	0	0	0	109.9	A72 E116	A72-L74 PolarHBondContact O-N 3.46Å; L74-E116 VanDerWaalsContact CD1-O 3.27Å; L74-E116 WeakPolarHBondContact CD1-O 3.27Å
75	D	95.8	Very high	77.3	Confident	138 Å²	138	112.7 Å²	112.7	74%	0.738	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-62.8	156.3	170.4	-70	-40.3	0	0	0	111.3	C118 K119	D75-C118 CarbonylContact O-C 3.48Å; D75-C118 VanDerWaalsContact O-CA 3.31Å; D75-C118 WeakPolarHBondContact O-CA 3.4Å; D75-C118 WeakPolarHBondContact O-CB 3.42Å; D75-K119 PolarHBondContact O-N 2.83Å
76	N	97.7	Very high	79.8	Confident	105 Å²	105	104.5 Å²	104.5	56%	0.561	57%	0.566	S	S	*	*	B	Isolated β-bridge	trans	-66.5	143.7	174.3	-68.9	-39.7	0	0	0	111.1	K119 L121	N76-K119 WeakPolarHBondContact CA-O 3.38Å; N76-L121 HydrophobicContact CB-CD2 3.91Å
77	C	98	Very high	82.5	Confident	6 Å²	6	102.6 Å²	102.6	4%	0.041	56%	0.557	C	S	.	*	P	Polyproline II helix	trans	-60.4	148.3	171.3	-58.4	0	0	0	0	110.5	C118 K119 Q152	C77-C118 WeakPolarHBondContact CA-SG 3.01Å; C77-C118 HydrophobicContact CB-CB 3.94Å; C77-C118 WeakPolarHBondContact CB-SG 3.47Å; C77-C118 VanDerWaalsContact SG-C 3.52Å; C77-C118 WeakPolarHBondContact SG-CB 3.41Å; C77-C118 CovalentContact SG-SG 2.03Å; C77-C118 PolarHBondContact SG-SG 2.77Å; C77-K119 PolarHBondContact N-O 3.16Å; C77-K119 PolarHBondContact SG-O 2.93Å; C77-K119 VanDerWaalsContact SG-O 3.38Å; C77-Q152 HydrophobicContact CB-CB 4.23Å
78	P	97.1	Very high	85	Confident	66 Å²	66	99.5 Å²	99.5	43%	0.429	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-62.8	152.8	179.2	26.8	-34.6	0	0	0	111.6	V80	P78-V80 WeakPolarHBondContact CB-O 3.13Å; P78-V80 PolarHBondContact O-N 2.91Å
79	S	93	Very high	87.5	Confident	88 Å²	88	103.4 Å²	103.4	62%	0.615	53%	0.533	S	S	*	.	S	Bend	trans	-61.1	-28.6	-179.7	59.7	0	0	0	0	113.4	K207	S79-K207 PolarHBondContact O-NZ 2.93Å
80	V	94.4	Very high	90	Very high	91 Å²	91	98.9 Å²	98.9	55%	0.552	50%	0.503	S	S	*	.	S	Bend	trans	-122.6	120	170.1	-177.1	0	0	0	0	107.3	P78 L84	P78-V80 WeakPolarHBondContact CB-O 3.13Å; P78-V80 PolarHBondContact O-N 2.91Å; V80-L84 HydrophobicContact CG1-CD1 4.16Å
81	S	97.8	Very high	92.2	Very high	12 Å²	12	95 Å²	95	8%	0.084	49%	0.491	C	S	.	.			trans	-65	136.5	178.9	167.2	0	0	0	0	111.1	Y83 L84 R150 Q152	S81-Y83 PolarHBondContact O-N 2.53Å; S81-Y83 WeakPolarHBondContact OG-CD2 3.19Å; S81-Y83 PolarHBondContact OG-N 3.28Å; S81-Y83 VanDerWaalsContact OG-N 3.07Å; S81-L84 WeakPolarHBondContact O-CG 3.38Å; S81-R150 WeakPolarHBondContact CB-O 3.34Å; S81-R150 PolarHBondContact OG-O 3.37Å; S81-Q152 PolarHBondContact OG-OE1 2.55Å
82	P	97.6	Very high	93.9	Very high	96 Å²	96	88.6 Å²	88.6	62%	0.623	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-7.8	174.1	33	-36.1	0	0	0	112.8
83	Y	98	Very high	95.2	Very high	114 Å²	114	88.4 Å²	88.4	45%	0.447	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.5	-176.3	-54	-62.4	0	0	0	114.1	S81 R150 Q152	S81-Y83 PolarHBondContact O-N 2.53Å; S81-Y83 WeakPolarHBondContact OG-CD2 3.19Å; S81-Y83 PolarHBondContact OG-N 3.28Å; S81-Y83 VanDerWaalsContact OG-N 3.07Å; Y83-R150 VanDerWaalsContact O-CD 3.31Å; Y83-R150 WeakPolarHBondContact O-CD 3.34Å; Y83-Q152 HydrophobicContact CD2-CG 3.86Å; Y83-Q152 HydrophobicContact CE2-CG 4.12Å
84	L	98.3	Very high	95.5	Very high	24 Å²	24	84.8 Å²	84.8	13%	0.126	44%	0.438	C	S	.	.			trans	-64.4	140.9	178.2	-56.5	-178.7	0	0	0	110.8	V80 S81 Q151 D202 F203 L205	V80-L84 HydrophobicContact CG1-CD1 4.16Å; S81-L84 WeakPolarHBondContact O-CG 3.38Å; L84-Q151 HydrophobicContact CD2-CG 3.79Å; L84-D202 HydrophobicContact CD2-CB 4.38Å; L84-F203 HydrophobicContact CB-CD1 4.04Å; L84-F203 HydrophobicContact CB-CE1 3.7Å; L84-F203 HydrophobicContact CB-CZ 4.48Å; L84-F203 HydrophobicContact CD1-CD1 3.7Å; L84-F203 HydrophobicContact CD1-CE1 3.97Å; L84-F203 HydrophobicContact CG-CE1 4.49Å; L84-L205 HydrophobicContact CD1-CD2 3.89Å; L84-L205 HydrophobicContact CD2-CD2 4.47Å
85	R	97.7	Very high	95.7	Very high	192 Å²	192	86.1 Å²	86.1	73%	0.725	45%	0.446	S	S	*	.			trans	-116.5	-11.1	-175.1	-60.8	-179.3	-178.2	176.6	-0.4	113	D202	R85-D202 VanDerWaalsContact N-CG 3.34Å; R85-D202 PolarHBondContact N-OD1 2.84Å; R85-D202 PolarHBondContact N-OD2 3.37Å; R85-D202 VanDerWaalsContact N-OD2 3.07Å
86	G	97.6	Very high	95.7	Very high	3 Å²	3	79.9 Å²	79.9	3%	0.031	41%	0.412	C	S	.	.			trans	78.9	-136.2	-173.9	0	0	0	0	0	112.3	N201 D202	G86-N201 VanDerWaalsContact C-OD1 3.23Å; G86-N201 VanDerWaalsContact CA-OD1 3.25Å; G86-N201 WeakPolarHBondContact CA-OD1 3.36Å; G86-N201 WeakPolarHBondContact O-CA 3.26Å; G86-N201 PolarHBondContact O-OD1 2.94Å; G86-D202 WeakPolarHBondContact CA-OD1 3.4Å; G86-D202 PolarHBondContact N-OD1 2.89Å; G86-D202 PolarHBondContact O-N 2.93Å; G86-D202 VanDerWaalsContact O-N 3.1Å
87	Q	97	Very high	95.6	Very high	135 Å²	135	77.4 Å²	77.4	63%	0.631	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-67.9	134.2	-174.3	-168.9	178.2	3.8	0	0	111.9	E200	Q87-E200 CarbonylContact C-O 3.49Å; Q87-E200 VanDerWaalsContact CA-O 3.25Å; Q87-E200 WeakPolarHBondContact CA-O 3.08Å
88	S	92.5	Very high	95.4	Very high	30 Å²	30	79.5 Å²	79.5	21%	0.21	41%	0.411	C	S	.	.			trans	-114.7	138.9	177.2	-62.8	0	0	0	0	110.5	E200	S88-E200 PolarHBondContact N-O 2.99Å
89	K	92.6	Very high	95.3	Very high	191 Å²	191	82.6 Å²	82.6	83%	0.83	42%	0.42	S	S	*	.			trans	-80.9	118.6	169.4	-175.8	179.8	179.1	-177.5	0	108.8
90	L	95.2	Very high	95.5	Very high	31 Å²	31	82.3 Å²	82.3	16%	0.162	41%	0.409	C	S	.	.			trans	-82.9	136.2	179.1	-59.2	178.4	0	0	0	111	F92 H143 V198 E200 T285	L90-F92 HydrophobicContact CB-CE2 4.14Å; L90-F92 HydrophobicContact CB-CZ 3.91Å; L90-F92 HydrophobicContact CD1-CZ 4.14Å; L90-H143 WeakPolarHBondContact CD2-CE1 3.47Å; L90-H143 WeakPolarHBondContact CD2-ND1 3.21Å; L90-V198 HydrophobicContact CD1-CB 3.96Å; L90-V198 HydrophobicContact CD1-CG1 3.73Å; L90-V198 HydrophobicContact CD2-CG1 3.78Å; L90-V198 HydrophobicContact CG-CG1 4.4Å; L90-E200 HydrophobicContact CD1-CG 3.73Å; L90-E200 HydrophobicContact CG-CG 4.38Å; L90-T285 HydrophobicContact CD1-CG2 4.44Å
91	I	93.8	Very high	95.6	Very high	111 Å²	111	78 Å²	78	57%	0.569	38%	0.383	S	S	*	.			trans	-132.9	127.4	177.1	-58.7	175.9	0	0	0	106.6
92	F	94.6	Very high	95.6	Very high	63 Å²	63	81.5 Å²	81.5	28%	0.276	40%	0.398	S	S	.	.			trans	-112.4	99.9	-177.9	-57.6	-67.6	0	0	0	109.5	L90 P94 Y139 V198 T285 V287	L90-F92 HydrophobicContact CB-CE2 4.14Å; L90-F92 HydrophobicContact CB-CZ 3.91Å; L90-F92 HydrophobicContact CD1-CZ 4.14Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; F92-Y139 HydrophobicContact CB-CD1 4.05Å; F92-Y139 HydrophobicContact CB-CD2 4.34Å; F92-Y139 HydrophobicContact CB-CE1 3.8Å; F92-Y139 HydrophobicContact CB-CE2 4.08Å; F92-Y139 HydrophobicContact CB-CG 4.33Å; F92-Y139 AromaticContact CD1-CD1 3.91Å; F92-Y139 HydrophobicContact CD1-CD1 3.91Å; F92-Y139 AromaticContact CD1-CD2 4Å; F92-Y139 HydrophobicContact CD1-CD2 4Å; F92-Y139 AromaticContact CD1-CG 3.64Å; F92-Y139 HydrophobicContact CD1-CG 3.64Å; F92-Y139 HydrophobicContact CE1-CG 4.45Å; F92-Y139 HydrophobicContact CG-CD1 4.48Å; F92-Y139 HydrophobicContact CG-CD2 4.45Å; F92-Y139 HydrophobicContact CG-CG 4.39Å; F92-V198 HydrophobicContact CE1-CB 4.45Å; F92-V198 HydrophobicContact CE1-CG2 4Å; F92-V198 HydrophobicContact CZ-CB 4.44Å; F92-V198 HydrophobicContact CZ-CG2 4.35Å; F92-T285 HydrophobicContact CE2-CG2 3.66Å; F92-T285 HydrophobicContact CZ-CG2 3.77Å; F92-V287 HydrophobicContact CD1-CG2 4.28Å; F92-V287 HydrophobicContact CE1-CG2 3.81Å; F92-V287 HydrophobicContact CE2-CG2 4.42Å; F92-V287 HydrophobicContact CZ-CG2 3.88Å
93	K	94.4	Very high	95.6	Very high	86 Å²	86	80.6 Å²	80.6	37%	0.374	40%	0.399	S	S	.	.			trans	-77	116.5	-177	-66.1	175.1	-173.5	162.9	0	111.4	D95 L96 K135 Y139	K93-D95 PolarHBondContact O-N 2.96Å; K93-D95 VanDerWaalsContact O-N 3.09Å; K93-L96 HydrophobicContact CB-CB 4.15Å; K93-L96 VanDerWaalsContact O-CB 3.32Å; K93-L96 WeakPolarHBondContact O-CB 3.47Å; K93-L96 PolarHBondContact O-N 3.12Å; K93-L96 VanDerWaalsContact O-N 3.07Å; K93-K135 PolarHBondContact O-NZ 2.85Å; K93-Y139 VanDerWaalsContact O-CE1 3.25Å; K93-Y139 WeakPolarHBondContact O-CE1 3.5Å; K93-Y139 PolarHBondContact O-OH 3.31Å
94	P	92.5	Very high	95.5	Very high	108 Å²	108	80.7 Å²	80.7	70%	0.701	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.4	-176.1	-25.7	35.2	0	0	0	114.6	F92 K135	F92-P94 WeakPolarHBondContact O-CD 3.38Å; P94-K135 VanDerWaalsContact C-NZ 3.31Å; P94-K135 VanDerWaalsContact O-CE 3.29Å; P94-K135 WeakPolarHBondContact O-CE 3.37Å; P94-K135 PolarHBondContact O-NZ 2.64Å
95	D	94.2	Very high	95.5	Very high	119 Å²	119	79.7 Å²	79.7	64%	0.636	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	1.9	-177.4	56.5	-20.7	0	0	0	114.3	K93 T97	K93-D95 PolarHBondContact O-N 2.96Å; K93-D95 VanDerWaalsContact O-N 3.09Å; D95-T97 WeakPolarHBondContact O-CG2 3.5Å; D95-T97 PolarHBondContact O-N 3.06Å
96	L	95.7	Very high	95.5	Very high	6 Å²	6	75.9 Å²	75.9	3%	0.031	40%	0.399	C	S	.	.			trans	-49.3	128.8	176.3	-177.1	72.4	0	0	0	112.3	K93 E100 V101 K135 M138 Y139 E142	K93-L96 HydrophobicContact CB-CB 4.15Å; K93-L96 VanDerWaalsContact O-CB 3.32Å; K93-L96 WeakPolarHBondContact O-CB 3.47Å; K93-L96 PolarHBondContact O-N 3.12Å; K93-L96 VanDerWaalsContact O-N 3.07Å; L96-E100 HydrophobicContact CD1-CB 4.39Å; L96-V101 HydrophobicContact CD1-CG2 3.87Å; L96-V101 HydrophobicContact CD2-CG2 4Å; L96-V101 HydrophobicContact CG-CG2 4.06Å; L96-K135 PolarHBondContact O-NZ 2.87Å; L96-M138 HydrophobicContact CD2-CB 4.11Å; L96-Y139 HydrophobicContact CD2-CD1 3.94Å; L96-Y139 HydrophobicContact CD2-CE1 4.38Å; L96-E142 HydrophobicContact CD1-CG 4.38Å; L96-E142 HydrophobicContact CD2-CB 3.87Å; L96-E142 HydrophobicContact CD2-CG 4.22Å; L96-E142 WeakPolarHBondContact CD2-OE2 3.41Å
97	T	95.3	Very high	95.4	Very high	53 Å²	53	80.3 Å²	80.3	33%	0.325	42%	0.417	S	S	.	.			trans	-108.8	161.6	177.8	64.1	0	0	0	0	112	D95 E99 E100 V101	D95-T97 WeakPolarHBondContact O-CG2 3.5Å; D95-T97 PolarHBondContact O-N 3.06Å; T97-E99 VanDerWaalsContact C-N 3.3Å; T97-E99 WeakPolarHBondContact CB-OE2 3.32Å; T97-E100 PolarHBondContact N-OE2 3.12Å; T97-E100 VanDerWaalsContact OG1-CD 3.26Å; T97-E100 WeakPolarHBondContact OG1-CG 3.06Å; T97-E100 PolarHBondContact OG1-N 3.33Å; T97-E100 PolarHBondContact OG1-OE2 3.02Å; T97-V101 WeakPolarHBondContact O-CG2 3.41Å; T97-V101 PolarHBondContact O-N 3.27Å
98	L	93.6	Very high	95.5	Very high	50 Å²	50	74.4 Å²	74.4	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-70.2	-33.2	178.6	-168.3	68.6	0	0	0	111.3	V101 Q102 L141 L332 Y333	L98-V101 PolarHBondContact O-N 2.92Å; L98-Q102 WeakPolarHBondContact O-CB 3.33Å; L98-Q102 PolarHBondContact O-N 3.24Å; L98-L141 HydrophobicContact CD1-CD1 4.33Å; L98-L332 HydrophobicContact CD1-CD1 3.58Å; L98-L332 HydrophobicContact CG-CD1 4.08Å; L98-Y333 HydrophobicContact CD1-CE1 4.48Å
99	E	95.8	Very high	95.7	Very high	131 Å²	131	76.6 Å²	76.6	61%	0.612	41%	0.405	S	S	*	.	H	α-helix	trans	-63.9	-40.8	178.8	-65.5	70.6	-156.9	0	0	111.5	T97 Q102 A103	T97-E99 VanDerWaalsContact C-N 3.3Å; T97-E99 WeakPolarHBondContact CB-OE2 3.32Å; E99-Q102 PolarHBondContact O-N 3.12Å; E99-A103 WeakPolarHBondContact O-CB 3.43Å; E99-A103 PolarHBondContact O-N 2.71Å
100	E	96.4	Very high	95.9	Very high	83 Å²	83	74.4 Å²	74.4	39%	0.388	39%	0.392	S	S	.	.	H	α-helix	trans	-62.6	-47.3	173.7	-74.1	167	137.5	0	0	111.3	L96 T97 Q102 A103 E104	L96-E100 HydrophobicContact CD1-CB 4.39Å; T97-E100 PolarHBondContact N-OE2 3.12Å; T97-E100 VanDerWaalsContact OG1-CD 3.26Å; T97-E100 WeakPolarHBondContact OG1-CG 3.06Å; T97-E100 PolarHBondContact OG1-N 3.33Å; T97-E100 PolarHBondContact OG1-OE2 3.02Å; E100-Q102 VanDerWaalsContact C-N 3.26Å; E100-Q102 PolarHBondContact O-N 2.92Å; E100-A103 PolarHBondContact O-N 3.07Å; E100-E104 WeakPolarHBondContact O-CG 3.33Å; E100-E104 PolarHBondContact O-N 3.26Å
101	V	96.9	Very high	96	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.006	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-39.2	177.5	179.9	0	0	0	0	110.9	L96 T97 L98 N105 L141 E142 L332	L96-V101 HydrophobicContact CD1-CG2 3.87Å; L96-V101 HydrophobicContact CD2-CG2 4Å; L96-V101 HydrophobicContact CG-CG2 4.06Å; T97-V101 WeakPolarHBondContact O-CG2 3.41Å; T97-V101 PolarHBondContact O-N 3.27Å; L98-V101 PolarHBondContact O-N 2.92Å; V101-N105 PolarHBondContact O-N 2.86Å; V101-N105 PolarHBondContact O-ND2 2.76Å; V101-L141 HydrophobicContact CG1-CB 4.19Å; V101-E142 HydrophobicContact CG2-CB 3.92Å; V101-E142 HydrophobicContact CG2-CG 4.45Å; V101-L332 HydrophobicContact CB-CD1 3.84Å; V101-L332 HydrophobicContact CG1-CD1 3.57Å; V101-L332 HydrophobicContact CG1-CD2 4.32Å
102	Q	97.2	Very high	96.2	Very high	84 Å²	84	70 Å²	70	39%	0.393	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-44.4	176.7	-177	179	-32.5	0	0	112	L98 E99 E100 E104 N105 P331 L332	L98-Q102 WeakPolarHBondContact O-CB 3.33Å; L98-Q102 PolarHBondContact O-N 3.24Å; E99-Q102 PolarHBondContact O-N 3.12Å; E100-Q102 VanDerWaalsContact C-N 3.26Å; E100-Q102 PolarHBondContact O-N 2.92Å; Q102-E104 VanDerWaalsContact C-N 3.28Å; Q102-E104 PolarHBondContact O-N 3.47Å; Q102-N105 CarbonylContact O-C 3.58Å; Q102-N105 PolarHBondContact O-N 3.07Å; Q102-P331 HydrophobicContact CG-CB 4.09Å; Q102-L332 HydrophobicContact CB-CD1 4.13Å; Q102-L332 HydrophobicContact CB-CD2 4.45Å; Q102-L332 HydrophobicContact CB-CG 4.28Å
103	A	97.4	Very high	96.4	Very high	78 Å²	78	67.9 Å²	67.9	65%	0.645	36%	0.356	S	S	*	.	H	α-helix	trans	-62.3	-35.8	179	0	0	0	0	0	112.2	E99 E100 N105	E99-A103 WeakPolarHBondContact O-CB 3.43Å; E99-A103 PolarHBondContact O-N 2.71Å; E100-A103 PolarHBondContact O-N 3.07Å; A103-N105 VanDerWaalsContact C-N 3.26Å; A103-N105 PolarHBondContact O-N 3Å
104	E	96.8	Very high	96.5	Very high	115 Å²	115	72.2 Å²	72.2	54%	0.537	37%	0.37	S	S	.	.	H	α-helix	trans	-73.9	-14.9	175.5	-70	-173.1	177.7	0	0	113.6	E100 Q102 P106	E100-E104 WeakPolarHBondContact O-CG 3.33Å; E100-E104 PolarHBondContact O-N 3.26Å; Q102-E104 VanDerWaalsContact C-N 3.28Å; Q102-E104 PolarHBondContact O-N 3.47Å; E104-P106 WeakPolarHBondContact O-CD 3.35Å
105	N	97.7	Very high	96.8	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.021	34%	0.339	C	S	.	.			trans	-125.1	57.8	-176.2	-67.4	-80	0	0	0	112.9	V101 Q102 A103 K107 V108 H145 Q149 L332	V101-N105 PolarHBondContact O-N 2.86Å; V101-N105 PolarHBondContact O-ND2 2.76Å; Q102-N105 CarbonylContact O-C 3.58Å; Q102-N105 PolarHBondContact O-N 3.07Å; A103-N105 VanDerWaalsContact C-N 3.26Å; A103-N105 PolarHBondContact O-N 3Å; N105-K107 PolarHBondContact O-N 2.88Å; N105-K107 VanDerWaalsContact O-N 3.12Å; N105-V108 HydrophobicContact CB-CB 4.31Å; N105-V108 HydrophobicContact CB-CG2 3.88Å; N105-V108 WeakPolarHBondContact O-CB 3.09Å; N105-V108 PolarHBondContact O-N 3.12Å; N105-H145 HydrophobicContact CB-CB 4.36Å; N105-H145 VanDerWaalsContact OD1-CB 3.23Å; N105-H145 WeakPolarHBondContact OD1-CB 3.42Å; N105-Q149 PolarHBondContact OD1-NE2 3.34Å; N105-L332 HydrophobicContact CB-CD2 4.31Å
106	P	97.3	Very high	96.8	Very high	112 Å²	112	67.8 Å²	67.8	73%	0.727	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.3	-172.5	28.7	-37.1	0	0	0	114	E104 V108	E104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-V108 VanDerWaalsContact C-N 3.31Å
107	K	97.4	Very high	96.8	Very high	96 Å²	96	71.9 Å²	71.9	42%	0.417	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.4	176	-62.4	-165	178.3	-150	0	113.2	N105 Y113 E116	N105-K107 PolarHBondContact O-N 2.88Å; N105-K107 VanDerWaalsContact O-N 3.12Å; K107-Y113 HydrophobicContact CB-CD2 3.92Å; K107-Y113 HydrophobicContact CB-CE2 3.9Å; K107-Y113 HydrophobicContact CD-CE2 4.13Å; K107-E116 IonicContact NZ-OE2 3.9Å; K107-E116 PolarHBondContact NZ-OE2 3.1Å
108	V	98.2	Very high	96.9	Very high	10 Å²	10	69.9 Å²	69.9	6%	0.061	34%	0.344	C	S	.	.			trans	-86.8	128.6	176.8	-176.8	0	0	0	0	108.2	N105 P106 R112 H145 L332	N105-V108 HydrophobicContact CB-CB 4.31Å; N105-V108 HydrophobicContact CB-CG2 3.88Å; N105-V108 WeakPolarHBondContact O-CB 3.09Å; N105-V108 PolarHBondContact O-N 3.12Å; P106-V108 VanDerWaalsContact C-N 3.31Å; V108-R112 WeakPolarHBondContact CA-O 3.5Å; V108-H145 HydrophobicContact CG2-CB 4.46Å; V108-L332 HydrophobicContact CB-CD2 4.47Å; V108-L332 HydrophobicContact CG1-CD2 4.31Å
109	S	96.9	Very high	97.1	Very high	77 Å²	77	73.6 Å²	73.6	54%	0.538	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-140.5	137.4	177.8	62.4	0	0	0	0	110.4	G111 R112 P331	S109-G111 PolarHBondContact O-N 2.8Å; S109-G111 VanDerWaalsContact O-N 3.07Å; S109-R112 PolarHBondContact N-O 3.49Å; S109-R112 WeakPolarHBondContact O-CA 3.27Å; S109-R112 WeakPolarHBondContact O-CB 3.29Å; S109-R112 PolarHBondContact O-N 3.37Å; S109-P331 CarbonylContact C-O 3.5Å
110	R	97	Very high	97.2	Very high	144 Å²	144	68.3 Å²	68.3	54%	0.543	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	33.2	-178.2	-60.9	-179.4	63.4	93.3	0.8	113	R112 H329 N330 P331	R110-R112 VanDerWaalsContact C-N 3.28Å; R110-R112 PolarHBondContact O-N 3.48Å; R110-H329 HydrophobicContact CB-CB 4.2Å; R110-H329 HydrophobicContact CG-CB 4.43Å; R110-H329 PolarHBondContact NH2-ND1 3.19Å; R110-H329 VanDerWaalsContact NH2-ND1 3.1Å; R110-N330 CarbonylContact C-O 3.58Å; R110-N330 WeakPolarHBondContact CA-O 3.2Å; R110-P331 PolarHBondContact N-O 2.86Å
111	G	96.6	Very high	97.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	72	15.3	-176.7	0	0	0	0	0	116	S109 G156 I157 N330 P331 L332 Y333	S109-G111 PolarHBondContact O-N 2.8Å; S109-G111 VanDerWaalsContact O-N 3.07Å; G111-G156 VanDerWaalsContact O-CA 3.31Å; G111-G156 WeakPolarHBondContact O-CA 3.16Å; G111-I157 PolarHBondContact O-N 2.93Å; G111-N330 PolarHBondContact N-O 2.88Å; G111-N330 VanDerWaalsContact N-O 3.13Å; G111-P331 PolarHBondContact N-O 2.73Å; G111-L332 WeakPolarHBondContact CA-O 3.39Å; G111-Y333 VanDerWaalsContact CA-CA 3.48Å
112	R	98.1	Very high	97.3	Very high	50 Å²	50	71.1 Å²	71.1	19%	0.189	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.1	-176.7	-63.4	-69	-60.9	-96.7	2.7	111.3	V108 S109 R110 D154 Y155 E185	V108-R112 WeakPolarHBondContact CA-O 3.5Å; S109-R112 PolarHBondContact N-O 3.49Å; S109-R112 WeakPolarHBondContact O-CA 3.27Å; S109-R112 WeakPolarHBondContact O-CB 3.29Å; S109-R112 PolarHBondContact O-N 3.37Å; R110-R112 VanDerWaalsContact C-N 3.28Å; R110-R112 PolarHBondContact O-N 3.48Å; R112-D154 IonicContact CZ-OD1 2.94Å; R112-D154 IonicContact NE-OD1 3.02Å; R112-D154 IonicContact NH2-OD1 3.71Å; R112-D154 PolarHBondContact NH2-OD1 3.4Å; R112-D154 IonicContact NH2-OD2 3.45Å; R112-Y155 WeakPolarHBondContact CA-O 3.49Å; R112-Y155 WeakPolarHBondContact CD-O 3.32Å; R112-Y155 PolarHBondContact NE-O 3.27Å; R112-E185 IonicContact NH2-OE2 3.37Å
113	Y	98.6	Very high	97.4	Very high	18 Å²	18	70 Å²	70	7%	0.071	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.3	168.7	167.1	-90	0	0	0	109.5	K107 P115 Q149 L153 D154 Y155	K107-Y113 HydrophobicContact CB-CD2 3.92Å; K107-Y113 HydrophobicContact CB-CE2 3.9Å; K107-Y113 HydrophobicContact CD-CE2 4.13Å; Y113-P115 HydrophobicContact CE1-CG 4.2Å; Y113-Q149 HydrophobicContact CD1-CG 3.8Å; Y113-Q149 HydrophobicContact CD2-CG 3.77Å; Y113-Q149 HydrophobicContact CE1-CB 4.11Å; Y113-Q149 HydrophobicContact CE1-CG 3.76Å; Y113-Q149 HydrophobicContact CE2-CB 4.5Å; Y113-Q149 HydrophobicContact CE2-CG 3.74Å; Y113-Q149 HydrophobicContact CG-CG 3.8Å; Y113-L153 WeakPolarHBondContact CD1-O 3.32Å; Y113-D154 CarbonylContact O-C 3.55Å; Y113-D154 WeakPolarHBondContact O-CA 3.34Å; Y113-Y155 VanDerWaalsContact CB-CE1 3.47Å; Y113-Y155 AromaticContact CD1-CD1 3.82Å; Y113-Y155 HydrophobicContact CD1-CD1 3.82Å; Y113-Y155 AromaticContact CD1-CE1 3.42Å; Y113-Y155 HydrophobicContact CD1-CE1 3.42Å; Y113-Y155 VanDerWaalsContact CD1-CE1 3.42Å; Y113-Y155 HydrophobicContact CE1-CE1 4.44Å; Y113-Y155 HydrophobicContact CG-CD1 4.39Å; Y113-Y155 AromaticContact CG-CE1 3.74Å; Y113-Y155 HydrophobicContact CG-CE1 3.74Å; Y113-Y155 PolarHBondContact N-O 3.1Å; Y113-Y155 VanDerWaalsContact N-O 3.11Å; Y113-Y155 PolarHBondContact O-N 3.09Å
114	R	97.8	Very high	97.4	Very high	177 Å²	177	66.3 Å²	66.3	67%	0.668	31%	0.314	S	S	*	.			trans	-141.9	145.8	168	70.4	-175.2	101.9	171.1	3.8	108.9	D154	R114-D154 HydrophobicContact CB-CB 4.18Å
115	P	97.6	Very high	97.5	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.058	29%	0.288	C	S	.	.			trans	-62.2	143.6	173.6	-19	32.4	0	0	0	111.1	Y113 A120 Q152	Y113-P115 HydrophobicContact CE1-CG 4.2Å; P115-A120 HydrophobicContact CG-CB 4.39Å; P115-Q152 HydrophobicContact CG-CB 3.95Å; P115-Q152 WeakPolarHBondContact CG-O 3.44Å
116	E	95.3	Very high	97.6	Very high	126 Å²	126	60.6 Å²	60.6	59%	0.589	29%	0.287	S	S	*	.	S	Bend	trans	-92.7	-31.3	-179.6	-64.8	172.9	142.9	0	0	111.6	L74 K107	L74-E116 VanDerWaalsContact CD1-O 3.27Å; L74-E116 WeakPolarHBondContact CD1-O 3.27Å; K107-E116 IonicContact NZ-OE2 3.9Å; K107-E116 PolarHBondContact NZ-OE2 3.1Å
117	E	94.9	Very high	97.7	Very high	92 Å²	92	55.3 Å²	55.3	43%	0.43	25%	0.253	S	S	.	.	S	Bend	trans	-82.3	-15.6	-177.1	40.8	-82.2	176	0	0	114.8
118	C	97.3	Very high	97.7	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.074	23%	0.233	C	C	.	.	S	Bend	trans	-156.7	161.8	-179.8	59.9	0	0	0	0	112.3	D75 C77 Q152	D75-C118 CarbonylContact O-C 3.48Å; D75-C118 VanDerWaalsContact O-CA 3.31Å; D75-C118 WeakPolarHBondContact O-CA 3.4Å; D75-C118 WeakPolarHBondContact O-CB 3.42Å; C77-C118 WeakPolarHBondContact CA-SG 3.01Å; C77-C118 HydrophobicContact CB-CB 3.94Å; C77-C118 WeakPolarHBondContact CB-SG 3.47Å; C77-C118 VanDerWaalsContact SG-C 3.52Å; C77-C118 WeakPolarHBondContact SG-CB 3.41Å; C77-C118 CovalentContact SG-SG 2.03Å; C77-C118 PolarHBondContact SG-SG 2.77Å; C118-Q152 PolarHBondContact SG-NE2 2.83Å
119	K	97.6	Very high	97.8	Very high	127 Å²	127	50.6 Å²	50.6	55%	0.552	23%	0.232	S	C	*	.	B	Isolated β-bridge	trans	-83.1	115.9	173.7	-176.6	178.6	176.8	-176.7	0	110.5	D75 N76 C77	D75-K119 PolarHBondContact O-N 2.83Å; N76-K119 WeakPolarHBondContact CA-O 3.38Å; C77-K119 PolarHBondContact N-O 3.16Å; C77-K119 PolarHBondContact SG-O 2.93Å; C77-K119 VanDerWaalsContact SG-O 3.38Å
120	A	97.9	Very high	97.8	Very high	20 Å²	20	47 Å²	47	17%	0.165	21%	0.207	C	C	.	.			trans	-56.9	140.3	177.1	0	0	0	0	0	111.8	P115 Q122 Q152 D154	P115-A120 HydrophobicContact CG-CB 4.39Å; A120-Q122 VanDerWaalsContact C-N 3.33Å; A120-Q122 PolarHBondContact O-N 3.29Å; A120-Q152 WeakPolarHBondContact CB-O 3.37Å; A120-D154 HydrophobicContact CB-CB 3.86Å; A120-D154 VanDerWaalsContact CB-N 3.27Å
121	L	97.6	Very high	97.6	Very high	94 Å²	94	41.6 Å²	41.6	49%	0.492	19%	0.187	S	C	.	.	S	Bend	trans	-73.8	-24.2	-178.1	-64.2	178.6	0	0	0	113.4	N76	N76-L121 HydrophobicContact CB-CD2 3.91Å
122	Q	97.9	Very high	97.4	Very high	49 Å²	49	46 Å²	46	23%	0.229	21%	0.21	C	C	.	.			trans	-143.7	142.1	177.8	-67.6	-172.9	9.9	0	0	110.2	A120 V124 C208	A120-Q122 VanDerWaalsContact C-N 3.33Å; A120-Q122 PolarHBondContact O-N 3.29Å; Q122-V124 HydrophobicContact CB-CG2 4.17Å; Q122-C208 PolarHBondContact NE2-O 2.9Å
123	R	98.8	Very high	97.2	Very high	61 Å²	61	44.5 Å²	44.5	23%	0.23	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.9	163.7	-64.8	165.7	-66.4	178.4	-1.3	109.2	D154 E185 N186 W187 D188 C189	R123-D154 CarbonylContact C-O 3.54Å; R123-D154 WeakPolarHBondContact CA-O 3.45Å; R123-D154 HydrophobicContact CG-CB 3.91Å; R123-E185 IonicContact CZ-OE1 2.67Å; R123-E185 IonicContact NH1-OE1 3.94Å; R123-E185 PolarHBondContact NH1-OE1 2.88Å; R123-N186 PolarHBondContact NE-O 2.84Å; R123-N186 PolarHBondContact NH1-O 2.92Å; R123-N186 PolarHBondContact NH2-ND2 3.43Å; R123-N186 PolarHBondContact NH2-O 2.67Å; R123-W187 VanDerWaalsContact C-CE3 3.45Å; R123-W187 HydrophobicContact CB-CE3 3.59Å; R123-W187 HydrophobicContact CB-CZ3 3.85Å; R123-D188 WeakPolarHBondContact CB-OD2 3.38Å; R123-D188 IonicContact CZ-OD1 2.8Å; R123-D188 IonicContact CZ-OD2 2.8Å; R123-D188 PolarHBondContact N-OD2 2.97Å; R123-D188 IonicContact NE-OD1 2.97Å; R123-D188 IonicContact NE-OD2 3.8Å; R123-D188 PolarHBondContact NE-OD2 3.39Å; R123-D188 IonicContact NH2-OD1 3.21Å; R123-D188 PolarHBondContact NH2-OD1 3.11Å; R123-D188 IonicContact NH2-OD2 3.86Å; R123-D188 PolarHBondContact O-N 3.32Å; R123-C189 PolarHBondContact O-N 2.88Å
124	V	98.9	Very high	97	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.6	-171.9	-170.2	0	0	0	0	112	Q122 I126 L153 D154 Y155 G156 W187 C189 I191	Q122-V124 HydrophobicContact CB-CG2 4.17Å; V124-I126 HydrophobicContact CG1-CD1 3.75Å; V124-L153 HydrophobicContact CG2-CB 4.47Å; V124-L153 HydrophobicContact CG2-CD1 4.21Å; V124-L153 HydrophobicContact CG2-CD2 4Å; V124-L153 HydrophobicContact CG2-CG 4.45Å; V124-D154 PolarHBondContact N-O 2.77Å; V124-Y155 WeakPolarHBondContact O-CA 3.36Å; V124-Y155 WeakPolarHBondContact O-CB 3.3Å; V124-G156 PolarHBondContact O-N 3.23Å; V124-W187 VanDerWaalsContact C-CZ3 3.44Å; V124-W187 VanDerWaalsContact N-CE3 3.32Å; V124-W187 VanDerWaalsContact O-CZ3 3.28Å; V124-W187 WeakPolarHBondContact O-CZ3 3.48Å; V124-C189 WeakPolarHBondContact CA-O 3.18Å; V124-C189 HydrophobicContact CB-CB 4.48Å; V124-C189 HydrophobicContact CG1-CB 4.23Å; V124-C189 HydrophobicContact CG2-CB 4.12Å; V124-I191 HydrophobicContact CG1-CD1 4.11Å; V124-I191 HydrophobicContact CG1-CG1 3.5Å
125	A	98.9	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.3	169.1	0	0	0	0	0	110.3	L127 Y158 A181 W187 C189 F190 I191	A125-L127 HydrophobicContact CB-CD2 4.16Å; A125-Y158 HydrophobicContact CB-CD2 4.17Å; A125-Y158 HydrophobicContact CB-CE2 4.02Å; A125-A181 HydrophobicContact CB-CB 4.24Å; A125-W187 HydrophobicContact CB-CB 4.23Å; A125-W187 HydrophobicContact CB-CD2 3.74Å; A125-W187 HydrophobicContact CB-CE3 4.25Å; A125-W187 HydrophobicContact CB-CG 3.71Å; A125-C189 PolarHBondContact N-O 2.85Å; A125-F190 HydrophobicContact CB-CD1 3.72Å; A125-F190 HydrophobicContact CB-CE1 3.84Å; A125-F190 CarbonylContact O-C 3.55Å; A125-F190 WeakPolarHBondContact O-CA 3.47Å; A125-I191 PolarHBondContact O-N 2.74Å
126	I	98.9	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.5	171.8	-44.4	-58.2	0	0	0	108.1	V124 I128 L144 L148 G156 I157 Y158 I191 H193 Y206	V124-I126 HydrophobicContact CG1-CD1 3.75Å; I126-I128 HydrophobicContact CG2-CD1 4.39Å; I126-I128 HydrophobicContact CG2-CG1 4.2Å; I126-L144 HydrophobicContact CG2-CD2 4.1Å; I126-L148 HydrophobicContact CD1-CD1 4.27Å; I126-L148 HydrophobicContact CD1-CD2 4.5Å; I126-L148 HydrophobicContact CG1-CD1 3.9Å; I126-G156 PolarHBondContact N-O 2.92Å; I126-I157 HydrophobicContact CB-CG1 4.29Å; I126-I157 HydrophobicContact CG1-CG1 4.31Å; I126-Y158 PolarHBondContact O-N 3.32Å; I126-I191 HydrophobicContact CD1-CB 3.59Å; I126-I191 HydrophobicContact CD1-CG1 3.4Å; I126-I191 HydrophobicContact CD1-CG2 4.31Å; I126-I191 HydrophobicContact CG2-CB 4.47Å; I126-H193 HydrophobicContact CG2-CB 4.11Å; I126-Y206 HydrophobicContact CD1-CD1 4.09Å
127	L	98.9	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.4	-176	-52.7	-175.7	0	0	0	109.8	A125 Y158 I160 L174 Y178 A181 F190 I191 F192 H193	A125-L127 HydrophobicContact CB-CD2 4.16Å; L127-Y158 HydrophobicContact CD2-CD2 3.99Å; L127-Y158 HydrophobicContact CD2-CG 4.12Å; L127-I160 HydrophobicContact CB-CD1 4.03Å; L127-I160 HydrophobicContact CD2-CD1 4.48Å; L127-L174 HydrophobicContact CB-CD2 3.97Å; L127-L174 WeakPolarHBondContact O-CD2 3.38Å; L127-Y178 VanDerWaalsContact CD1-N 3.32Å; L127-A181 HydrophobicContact CD2-CB 4.17Å; L127-F190 HydrophobicContact CD1-CD1 3.86Å; L127-F190 HydrophobicContact CG-CD1 4.3Å; L127-I191 PolarHBondContact N-O 2.88Å; L127-F192 HydrophobicContact CB-CD1 4.49Å; L127-F192 HydrophobicContact CD1-CD1 4Å; L127-F192 HydrophobicContact CD1-CE1 3.7Å; L127-H193 PolarHBondContact O-N 3.02Å
128	I	98.9	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.4	-175.5	-57.8	168	0	0	0	108.8	I126 L137 L140 I157 Y158 V159 I160 H193 V195	I126-I128 HydrophobicContact CG2-CD1 4.39Å; I126-I128 HydrophobicContact CG2-CG1 4.2Å; I128-L137 HydrophobicContact CD1-CD1 4.36Å; I128-L140 HydrophobicContact CD1-CD2 3.77Å; I128-L140 HydrophobicContact CG1-CD2 4.41Å; I128-I157 HydrophobicContact CD1-CG2 3.71Å; I128-Y158 PolarHBondContact N-O 3.44Å; I128-V159 HydrophobicContact CB-CG2 4.49Å; I128-V159 HydrophobicContact CD1-CG2 4.49Å; I128-V159 WeakPolarHBondContact O-CA 3.34Å; I128-I160 PolarHBondContact O-N 3.41Å; I128-H193 HydrophobicContact CG1-CB 4.2Å; I128-V195 HydrophobicContact CG2-CB 3.78Å; I128-V195 HydrophobicContact CG2-CG2 4.09Å
129	P	98.4	Very high	97.1	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.045	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.8	174.3	31.4	-26.9	0	0	0	108.6	F168 R170 L173 L174 H193	P129-F168 HydrophobicContact CB-CZ 4.1Å; P129-R170 HydrophobicContact CB-CG 4.16Å; P129-R170 HydrophobicContact CG-CG 3.66Å; P129-L173 HydrophobicContact CB-CB 3.86Å; P129-L173 HydrophobicContact CB-CD1 4Å; P129-L174 HydrophobicContact CB-CD2 4.2Å; P129-L174 HydrophobicContact CB-CG 4.3Å; P129-L174 HydrophobicContact CG-CD1 4.41Å; P129-L174 HydrophobicContact CG-CD2 3.79Å; P129-L174 HydrophobicContact CG-CG 4.02Å; P129-H193 VanDerWaalsContact CD-O 3.24Å; P129-H193 WeakPolarHBondContact CD-O 3.39Å
130	H	97.1	Very high	97.1	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.014	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.9	-168.6	-178.6	-75.7	0	0	0	113.1	R133 E134 V159 I160 H161 Q162	H130-R133 PolarHBondContact CE1-N 3.43Å; H130-R133 PolarHBondContact NE2-O 3.22Å; H130-E134 IonicContact CE1-OE1 2.65Å; H130-E134 PolarHBondContact CE1-OE1 2.92Å; H130-V159 HydrophobicContact CB-CG1 3.55Å; H130-I160 PolarHBondContact N-O 3.26Å; H130-H161 WeakPolarHBondContact CB-ND1 3.48Å; H130-H161 AromaticContact CE1-CE1 3.52Å; H130-H161 AromaticContact CE1-ND1 3.99Å; H130-H161 AromaticContact CG-CE1 3.4Å; H130-H161 AromaticContact CG-ND1 3.45Å; H130-H161 AromaticContact ND1-CE1 2.93Å; H130-H161 PolarHBondContact ND1-CE1 2.84Å; H130-H161 AromaticContact ND1-ND1 3Å; H130-H161 PolarHBondContact ND1-ND1 3.14Å; H130-H161 WeakPolarHBondContact O-CA 3.41Å; H130-Q162 PolarHBondContact O-N 3.01Å
131	R	94	Very high	97.2	Very high	30 Å²	30	29.3 Å²	29.3	11%	0.113	14%	0.137	C	C	.	.	S	Bend	trans	-159.5	122.1	163.1	-175.2	174.8	69.4	-175.2	13.3	110.2	R133 K166 F168 K293	R131-R133 WeakPolarHBondContact O-CG 3.07Å; R131-R133 PolarHBondContact O-N 3.49Å; R131-K166 PolarHBondContact NH1-O 2.87Å; R131-K166 PolarHBondContact NH2-O 2.78Å; R131-F168 HydrophobicContact CB-CD2 3.96Å; R131-F168 HydrophobicContact CB-CE2 3.78Å; R131-K293 PolarHBondContact NH2-O 3.46Å; R131-K293 VanDerWaalsContact NH2-O 3.11Å
132	N	91	Very high	97.2	Very high	92 Å²	92	26.1 Å²	26.1	49%	0.492	12%	0.12	S	C	.	.	S	Bend	trans	57	48.1	171.8	-54.5	9.1	0	0	0	112.4	E134 E164	N132-E134 WeakPolarHBondContact CA-OE1 3.47Å; N132-E164 PolarHBondContact ND2-OE1 2.78Å; N132-E164 VanDerWaalsContact ND2-OE1 3.11Å; N132-E164 PolarHBondContact OD1-OE1 2.73Å
133	R	94.4	Very high	97.2	Very high	18 Å²	18	25.2 Å²	25.2	7%	0.068	12%	0.115	C	C	.	.			trans	-139.8	33.9	-172.7	-72.9	-57.9	-173.1	133.4	-6	113.1	H130 R131 K135 H136 L137 V195 H289 D292	H130-R133 PolarHBondContact CE1-N 3.43Å; H130-R133 PolarHBondContact NE2-O 3.22Å; R131-R133 WeakPolarHBondContact O-CG 3.07Å; R131-R133 PolarHBondContact O-N 3.49Å; R133-K135 VanDerWaalsContact C-N 3.31Å; R133-K135 PolarHBondContact O-N 3.47Å; R133-H136 HydrophobicContact CB-CB 4.34Å; R133-H136 PolarHBondContact NH1-CE1 2.8Å; R133-H136 PolarHBondContact NH1-NE2 2.69Å; R133-H136 VanDerWaalsContact NH1-NE2 3.18Å; R133-H136 WeakPolarHBondContact O-CB 3.33Å; R133-H136 PolarHBondContact O-N 2.81Å; R133-L137 PolarHBondContact O-N 2.98Å; R133-V195 HydrophobicContact CB-CG1 3.98Å; R133-V195 HydrophobicContact CG-CG1 4.2Å; R133-H289 VanDerWaalsContact CZ-CG 3.44Å; R133-H289 PolarHBondContact NH1-CD2 3.1Å; R133-H289 PolarHBondContact NH2-CE1 2.91Å; R133-H289 PolarHBondContact NH2-ND1 3.36Å; R133-D292 IonicContact CZ-OD1 2.81Å; R133-D292 IonicContact CZ-OD2 2.74Å; R133-D292 VanDerWaalsContact CZ-OD2 3.31Å; R133-D292 IonicContact NE-OD1 3.54Å; R133-D292 PolarHBondContact NE-OD1 3.44Å; R133-D292 IonicContact NE-OD2 3.31Å; R133-D292 PolarHBondContact NE-OD2 3.41Å; R133-D292 IonicContact NH2-OD1 2.77Å; R133-D292 PolarHBondContact NH2-OD1 3.31Å; R133-D292 IonicContact NH2-OD2 3.49Å; R133-D292 PolarHBondContact NH2-OD2 3.33Å
134	E	94.8	Very high	97.2	Very high	108 Å²	108	22.3 Å²	22.3	51%	0.505	10%	0.104	S	C	.	.	H	α-helix	trans	-60	-40.8	-169.7	-63.1	66.7	-141.2	0	0	111.5	H130 N132 L137 M138	H130-E134 IonicContact CE1-OE1 2.65Å; H130-E134 PolarHBondContact CE1-OE1 2.92Å; N132-E134 WeakPolarHBondContact CA-OE1 3.47Å; E134-L137 PolarHBondContact O-N 3.01Å; E134-M138 WeakPolarHBondContact O-CG 3.3Å; E134-M138 PolarHBondContact O-N 3.27Å
135	K	95.1	Very high	97.2	Very high	60 Å²	60	22.3 Å²	22.3	26%	0.261	10%	0.104	S	C	.	.	H	α-helix	trans	-66	-42.1	177	-163.8	79.2	-151.1	174.8	0	112.4	K93 P94 L96 R133 L137 M138 Y139	K93-K135 PolarHBondContact O-NZ 2.85Å; P94-K135 VanDerWaalsContact C-NZ 3.31Å; P94-K135 VanDerWaalsContact O-CE 3.29Å; P94-K135 WeakPolarHBondContact O-CE 3.37Å; P94-K135 PolarHBondContact O-NZ 2.64Å; L96-K135 PolarHBondContact O-NZ 2.87Å; R133-K135 VanDerWaalsContact C-N 3.31Å; R133-K135 PolarHBondContact O-N 3.47Å; K135-L137 VanDerWaalsContact C-N 3.33Å; K135-M138 HydrophobicContact CB-CE 4.45Å; K135-M138 HydrophobicContact CD-CE 3.63Å; K135-M138 HydrophobicContact CG-CE 4.49Å; K135-M138 PolarHBondContact O-N 2.94Å; K135-Y139 WeakPolarHBondContact CE-OH 3.24Å; K135-Y139 HydrophobicContact CG-CD2 4.33Å; K135-Y139 HydrophobicContact CG-CE2 3.66Å; K135-Y139 VanDerWaalsContact O-CD2 3.31Å; K135-Y139 WeakPolarHBondContact O-CD2 3.45Å; K135-Y139 PolarHBondContact O-N 2.95Å; K135-Y139 VanDerWaalsContact O-N 3.1Å
136	H	97.4	Very high	97.2	Very high	25 Å²	25	24.2 Å²	24.2	12%	0.116	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-43.2	175.2	-67.7	71.1	0	0	0	111	R133 M138 Y139 L140 V195 V287 F288	R133-H136 HydrophobicContact CB-CB 4.34Å; R133-H136 PolarHBondContact NH1-CE1 2.8Å; R133-H136 PolarHBondContact NH1-NE2 2.69Å; R133-H136 VanDerWaalsContact NH1-NE2 3.18Å; R133-H136 WeakPolarHBondContact O-CB 3.33Å; R133-H136 PolarHBondContact O-N 2.81Å; H136-M138 PolarHBondContact O-N 3.32Å; H136-Y139 PolarHBondContact O-N 3.44Å; H136-L140 WeakPolarHBondContact O-CB 3.35Å; H136-L140 PolarHBondContact O-N 3Å; H136-V195 HydrophobicContact CB-CG1 4.29Å; H136-V195 HydrophobicContact CB-CG2 4.07Å; H136-V287 WeakPolarHBondContact NE2-CG1 3.07Å; H136-V287 PolarHBondContact NE2-O 3.35Å; H136-F288 PolarHBondContact NE2-O 2.82Å
137	L	97.8	Very high	97.1	Very high	7 Å²	7	24.2 Å²	24.2	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-44.4	176.3	179.7	61.6	0	0	0	111.3	I128 R133 E134 K135 Y139 L140 L141 V159 V195 Y333	I128-L137 HydrophobicContact CD1-CD1 4.36Å; R133-L137 PolarHBondContact O-N 2.98Å; E134-L137 PolarHBondContact O-N 3.01Å; K135-L137 VanDerWaalsContact C-N 3.33Å; L137-Y139 PolarHBondContact O-N 3.37Å; L137-L140 PolarHBondContact O-N 2.97Å; L137-L141 HydrophobicContact CD1-CD1 4.1Å; L137-L141 HydrophobicContact CD1-CD2 4.41Å; L137-L141 HydrophobicContact CD1-CG 4.02Å; L137-L141 HydrophobicContact CG-CD1 3.91Å; L137-L141 HydrophobicContact CG-CG 4.27Å; L137-L141 VanDerWaalsContact O-CG 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.41Å; L137-L141 PolarHBondContact O-N 3.11Å; L137-V159 HydrophobicContact CD1-CG2 3.79Å; L137-V159 HydrophobicContact CD2-CG1 4.06Å; L137-V159 HydrophobicContact CD2-CG2 4.12Å; L137-V195 HydrophobicContact CB-CG2 3.81Å; L137-V195 HydrophobicContact CD1-CG2 4.21Å; L137-Y333 HydrophobicContact CD2-CE1 4.43Å
138	M	97	Very high	97.1	Very high	38 Å²	38	24.2 Å²	24.2	19%	0.187	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-45.9	177.3	-72.2	-172.6	-62.3	0	0	112.4	L96 E134 K135 H136 L140 L141 E142	L96-M138 HydrophobicContact CD2-CB 4.11Å; E134-M138 WeakPolarHBondContact O-CG 3.3Å; E134-M138 PolarHBondContact O-N 3.27Å; K135-M138 HydrophobicContact CB-CE 4.45Å; K135-M138 HydrophobicContact CD-CE 3.63Å; K135-M138 HydrophobicContact CG-CE 4.49Å; K135-M138 PolarHBondContact O-N 2.94Å; H136-M138 PolarHBondContact O-N 3.32Å; M138-L140 VanDerWaalsContact C-N 3.29Å; M138-L140 PolarHBondContact O-N 3.27Å; M138-L141 PolarHBondContact O-N 3.05Å; M138-E142 WeakPolarHBondContact O-CB 3.47Å; M138-E142 PolarHBondContact O-N 3.13Å
139	Y	97.8	Very high	97.1	Very high	23 Å²	23	25.7 Å²	25.7	9%	0.09	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-39.4	174.8	-66.4	-36.9	0	0	0	112.8	F92 K93 L96 K135 H136 L137 H143 V287	F92-Y139 HydrophobicContact CB-CD1 4.05Å; F92-Y139 HydrophobicContact CB-CD2 4.34Å; F92-Y139 HydrophobicContact CB-CE1 3.8Å; F92-Y139 HydrophobicContact CB-CE2 4.08Å; F92-Y139 HydrophobicContact CB-CG 4.33Å; F92-Y139 AromaticContact CD1-CD1 3.91Å; F92-Y139 HydrophobicContact CD1-CD1 3.91Å; F92-Y139 AromaticContact CD1-CD2 4Å; F92-Y139 HydrophobicContact CD1-CD2 4Å; F92-Y139 AromaticContact CD1-CG 3.64Å; F92-Y139 HydrophobicContact CD1-CG 3.64Å; F92-Y139 HydrophobicContact CE1-CG 4.45Å; F92-Y139 HydrophobicContact CG-CD1 4.48Å; F92-Y139 HydrophobicContact CG-CD2 4.45Å; F92-Y139 HydrophobicContact CG-CG 4.39Å; K93-Y139 VanDerWaalsContact O-CE1 3.25Å; K93-Y139 WeakPolarHBondContact O-CE1 3.5Å; K93-Y139 PolarHBondContact O-OH 3.31Å; L96-Y139 HydrophobicContact CD2-CD1 3.94Å; L96-Y139 HydrophobicContact CD2-CE1 4.38Å; K135-Y139 WeakPolarHBondContact CE-OH 3.24Å; K135-Y139 HydrophobicContact CG-CD2 4.33Å; K135-Y139 HydrophobicContact CG-CE2 3.66Å; K135-Y139 VanDerWaalsContact O-CD2 3.31Å; K135-Y139 WeakPolarHBondContact O-CD2 3.45Å; K135-Y139 PolarHBondContact O-N 2.95Å; K135-Y139 VanDerWaalsContact O-N 3.1Å; H136-Y139 PolarHBondContact O-N 3.44Å; L137-Y139 PolarHBondContact O-N 3.37Å; Y139-H143 PolarHBondContact O-N 3.01Å; Y139-V287 HydrophobicContact CD2-CG1 4.04Å; Y139-V287 HydrophobicContact CD2-CG2 4.44Å; Y139-V287 HydrophobicContact CE2-CG1 4.29Å
140	L	98.5	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66	-45.9	177	-179.5	59.1	0	0	0	110.9	I128 H136 L137 M138 H143 L144 H193 V195 V198	I128-L140 HydrophobicContact CD1-CD2 3.77Å; I128-L140 HydrophobicContact CG1-CD2 4.41Å; H136-L140 WeakPolarHBondContact O-CB 3.35Å; H136-L140 PolarHBondContact O-N 3Å; L137-L140 PolarHBondContact O-N 2.97Å; M138-L140 VanDerWaalsContact C-N 3.29Å; M138-L140 PolarHBondContact O-N 3.27Å; L140-H143 PolarHBondContact O-N 3.14Å; L140-L144 HydrophobicContact CD1-CB 4.18Å; L140-L144 HydrophobicContact CD1-CD2 4.24Å; L140-L144 HydrophobicContact CG-CB 4.46Å; L140-L144 HydrophobicContact CG-CD2 4.34Å; L140-L144 WeakPolarHBondContact O-CA 3.13Å; L140-L144 WeakPolarHBondContact O-CB 3.4Å; L140-L144 PolarHBondContact O-N 3.29Å; L140-H193 VanDerWaalsContact CD1-CE1 3.42Å; L140-H193 WeakPolarHBondContact CD1-CE1 3.4Å; L140-V195 HydrophobicContact CD2-CG2 4.49Å; L140-V198 HydrophobicContact CD1-CG2 4.31Å
141	L	98.4	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.6	-44.1	-179.8	-67.6	172.1	0	0	0	112.2	L98 V101 L137 M138 H143 L144 H145 I157 Y333	L98-L141 HydrophobicContact CD1-CD1 4.33Å; V101-L141 HydrophobicContact CG1-CB 4.19Å; L137-L141 HydrophobicContact CD1-CD1 4.1Å; L137-L141 HydrophobicContact CD1-CD2 4.41Å; L137-L141 HydrophobicContact CD1-CG 4.02Å; L137-L141 HydrophobicContact CG-CD1 3.91Å; L137-L141 HydrophobicContact CG-CG 4.27Å; L137-L141 VanDerWaalsContact O-CG 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.41Å; L137-L141 PolarHBondContact O-N 3.11Å; M138-L141 PolarHBondContact O-N 3.05Å; L141-H143 PolarHBondContact O-N 2.87Å; L141-L144 PolarHBondContact O-N 3.27Å; L141-H145 PolarHBondContact O-CD2 2.8Å; L141-H145 PolarHBondContact O-N 2.94Å; L141-H145 VanDerWaalsContact O-N 3.15Å; L141-I157 HydrophobicContact CD2-CD1 3.86Å; L141-I157 HydrophobicContact CD2-CG2 4.14Å; L141-Y333 HydrophobicContact CD1-CD1 3.58Å; L141-Y333 HydrophobicContact CD1-CE1 3.84Å; L141-Y333 HydrophobicContact CD2-CD1 4.42Å
142	E	97.9	Very high	97.4	Very high	28 Å²	28	26.6 Å²	26.6	13%	0.131	13%	0.127	C	C	.	.	H	α-helix	trans	-50.7	-45.6	174.3	-176.8	-168.1	-159.2	0	0	110.9	L96 V101 M138 P146	L96-E142 HydrophobicContact CD1-CG 4.38Å; L96-E142 HydrophobicContact CD2-CB 3.87Å; L96-E142 HydrophobicContact CD2-CG 4.22Å; L96-E142 WeakPolarHBondContact CD2-OE2 3.41Å; V101-E142 HydrophobicContact CG2-CB 3.92Å; V101-E142 HydrophobicContact CG2-CG 4.45Å; M138-E142 WeakPolarHBondContact O-CB 3.47Å; M138-E142 PolarHBondContact O-N 3.13Å; E142-P146 WeakPolarHBondContact O-CD 3.38Å; E142-P146 VanDerWaalsContact O-CG 3.31Å; E142-P146 WeakPolarHBondContact O-CG 3.23Å
143	H	98.4	Very high	97.7	Very high	29 Å²	29	22.7 Å²	22.7	13%	0.134	11%	0.107	C	C	.	.	H	α-helix	trans	-80	-45.2	-178.9	-170.2	73.7	0	0	0	113.1	L90 Y139 L140 L141 P146 F147 V198 P199	L90-H143 WeakPolarHBondContact CD2-CE1 3.47Å; L90-H143 WeakPolarHBondContact CD2-ND1 3.21Å; Y139-H143 PolarHBondContact O-N 3.01Å; L140-H143 PolarHBondContact O-N 3.14Å; L141-H143 PolarHBondContact O-N 2.87Å; H143-P146 WeakPolarHBondContact O-CD 3.2Å; H143-P146 WeakPolarHBondContact O-CG 3.48Å; H143-F147 AromaticContact NE2-CD2 3.61Å; H143-F147 WeakPolarHBondContact O-CB 3.42Å; H143-F147 PolarHBondContact O-N 2.85Å; H143-V198 HydrophobicContact CB-CG1 3.6Å; H143-V198 VanDerWaalsContact CD2-CG1 3.43Å; H143-V198 WeakPolarHBondContact CD2-CG1 3.28Å; H143-P199 PolarHBondContact NE2-O 3.23Å
144	L	98.5	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-75	-34.8	-164.6	-168.4	63.8	0	0	0	112	I126 L140 L141 F147 L148 I157 Y206	I126-L144 HydrophobicContact CG2-CD2 4.1Å; L140-L144 HydrophobicContact CD1-CB 4.18Å; L140-L144 HydrophobicContact CD1-CD2 4.24Å; L140-L144 HydrophobicContact CG-CB 4.46Å; L140-L144 HydrophobicContact CG-CD2 4.34Å; L140-L144 WeakPolarHBondContact O-CA 3.13Å; L140-L144 WeakPolarHBondContact O-CB 3.4Å; L140-L144 PolarHBondContact O-N 3.29Å; L141-L144 PolarHBondContact O-N 3.27Å; L144-F147 HydrophobicContact CD1-CD1 3.95Å; L144-F147 HydrophobicContact CD1-CE1 4.5Å; L144-F147 WeakPolarHBondContact O-CB 3.26Å; L144-F147 PolarHBondContact O-N 2.91Å; L144-L148 HydrophobicContact CD1-CD1 4.08Å; L144-L148 HydrophobicContact CD1-CD2 4.11Å; L144-L148 HydrophobicContact CD1-CG 3.86Å; L144-L148 HydrophobicContact CD2-CD1 4.12Å; L144-L148 HydrophobicContact CG-CD1 3.64Å; L144-L148 HydrophobicContact CG-CG 3.9Å; L144-L148 WeakPolarHBondContact O-CB 3.44Å; L144-L148 VanDerWaalsContact O-CG 3.23Å; L144-L148 WeakPolarHBondContact O-CG 3.33Å; L144-L148 PolarHBondContact O-N 3.48Å; L144-I157 HydrophobicContact CD2-CD1 4.24Å; L144-Y206 HydrophobicContact CD1-CD1 4.18Å; L144-Y206 HydrophobicContact CD1-CE1 3.64Å
145	H	98.6	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.1	-57.3	177.2	-77.6	-61	0	0	0	113.5	N105 V108 L141 F147 L148 Q149 Y155 I157 L332	N105-H145 HydrophobicContact CB-CB 4.36Å; N105-H145 VanDerWaalsContact OD1-CB 3.23Å; N105-H145 WeakPolarHBondContact OD1-CB 3.42Å; V108-H145 HydrophobicContact CG2-CB 4.46Å; L141-H145 PolarHBondContact O-CD2 2.8Å; L141-H145 PolarHBondContact O-N 2.94Å; L141-H145 VanDerWaalsContact O-N 3.15Å; H145-F147 VanDerWaalsContact C-N 3.25Å; H145-F147 PolarHBondContact O-N 3.42Å; H145-L148 PolarHBondContact O-N 2.78Å; H145-Q149 WeakPolarHBondContact O-CB 3.4Å; H145-Q149 WeakPolarHBondContact O-CG 3.17Å; H145-Q149 PolarHBondContact O-N 3.07Å; H145-Q149 PolarHBondContact O-NE2 3.03Å; H145-Y155 AromaticContact ND1-CE2 3.82Å; H145-Y155 AromaticContact ND1-CZ 3.82Å; H145-Y155 PolarHBondContact ND1-OH 2.83Å; H145-I157 VanDerWaalsContact CE1-CD1 3.42Å; H145-I157 WeakPolarHBondContact CE1-CD1 3.47Å; H145-L332 PolarHBondContact CE1-O 3.1Å; H145-L332 PolarHBondContact NE2-O 3.14Å; H145-L332 VanDerWaalsContact NE2-O 3.14Å
146	P	98.3	Very high	98.3	Very high	40 Å²	40	15 Å²	15	26%	0.26	7%	0.073	S	C	.	.	H	α-helix	trans	-66.8	-30.2	178.3	26.2	-34.6	0	0	0	111.6	E142 H143 R150	E142-P146 WeakPolarHBondContact O-CD 3.38Å; E142-P146 VanDerWaalsContact O-CG 3.31Å; E142-P146 WeakPolarHBondContact O-CG 3.23Å; H143-P146 WeakPolarHBondContact O-CD 3.2Å; H143-P146 WeakPolarHBondContact O-CG 3.48Å; P146-R150 WeakPolarHBondContact O-CG 3.4Å; P146-R150 PolarHBondContact O-N 3.37Å; P146-R150 VanDerWaalsContact O-N 3.17Å; P146-R150 PolarHBondContact O-NH1 3.29Å
147	F	98.6	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.8	-50.9	174	178.2	-82.5	0	0	0	112.1	H143 L144 H145 R150 Q151 P199 D202 N204 Y206	H143-F147 AromaticContact NE2-CD2 3.61Å; H143-F147 WeakPolarHBondContact O-CB 3.42Å; H143-F147 PolarHBondContact O-N 2.85Å; L144-F147 HydrophobicContact CD1-CD1 3.95Å; L144-F147 HydrophobicContact CD1-CE1 4.5Å; L144-F147 WeakPolarHBondContact O-CB 3.26Å; L144-F147 PolarHBondContact O-N 2.91Å; H145-F147 VanDerWaalsContact C-N 3.25Å; H145-F147 PolarHBondContact O-N 3.42Å; F147-R150 PolarHBondContact O-N 2.86Å; F147-Q151 VanDerWaalsContact CZ-NE2 3.32Å; F147-Q151 PolarHBondContact O-N 3.02Å; F147-P199 HydrophobicContact CD1-CG 4.43Å; F147-P199 HydrophobicContact CD2-CB 4.49Å; F147-P199 HydrophobicContact CD2-CG 3.95Å; F147-P199 HydrophobicContact CE1-CG 4.16Å; F147-P199 HydrophobicContact CE2-CB 3.74Å; F147-P199 HydrophobicContact CE2-CG 3.64Å; F147-P199 HydrophobicContact CG-CG 4.34Å; F147-P199 HydrophobicContact CZ-CB 3.83Å; F147-P199 HydrophobicContact CZ-CG 3.77Å; F147-D202 HydrophobicContact CD2-CB 3.7Å; F147-D202 HydrophobicContact CE2-CB 3.62Å; F147-D202 HydrophobicContact CG-CB 4.43Å; F147-D202 HydrophobicContact CZ-CB 4.28Å; F147-N204 WeakPolarHBondContact CZ-O 3.47Å; F147-Y206 AromaticContact CE1-CD2 3.6Å; F147-Y206 HydrophobicContact CE1-CD2 3.6Å; F147-Y206 AromaticContact CE1-CE2 3.64Å; F147-Y206 HydrophobicContact CE1-CE2 3.64Å; F147-Y206 HydrophobicContact CE1-CG 4.08Å; F147-Y206 HydrophobicContact CZ-CD2 4.1Å; F147-Y206 AromaticContact CZ-CE2 3.87Å; F147-Y206 HydrophobicContact CZ-CE2 3.87Å
148	L	98.7	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-71.9	-35.3	-179.2	-64.4	174.8	0	0	0	112.6	I126 L144 H145 R150 Q151 Q152 L153 Y155 Y206	I126-L148 HydrophobicContact CD1-CD1 4.27Å; I126-L148 HydrophobicContact CD1-CD2 4.5Å; I126-L148 HydrophobicContact CG1-CD1 3.9Å; L144-L148 HydrophobicContact CD1-CD1 4.08Å; L144-L148 HydrophobicContact CD1-CD2 4.11Å; L144-L148 HydrophobicContact CD1-CG 3.86Å; L144-L148 HydrophobicContact CD2-CD1 4.12Å; L144-L148 HydrophobicContact CG-CD1 3.64Å; L144-L148 HydrophobicContact CG-CG 3.9Å; L144-L148 WeakPolarHBondContact O-CB 3.44Å; L144-L148 VanDerWaalsContact O-CG 3.23Å; L144-L148 WeakPolarHBondContact O-CG 3.33Å; L144-L148 PolarHBondContact O-N 3.48Å; H145-L148 PolarHBondContact O-N 2.78Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 2.91Å; L148-Q151 WeakPolarHBondContact O-CB 3.28Å; L148-Q151 PolarHBondContact O-N 3.1Å; L148-Q152 PolarHBondContact O-N 3.29Å; L148-L153 HydrophobicContact CD2-CD1 3.84Å; L148-Y155 HydrophobicContact CB-CD1 3.68Å; L148-Y155 HydrophobicContact CB-CE1 3.48Å; L148-Y155 VanDerWaalsContact CB-CE1 3.48Å; L148-Y155 HydrophobicContact CB-CE2 4.47Å; L148-Y155 HydrophobicContact CB-CG 4.24Å; L148-Y155 HydrophobicContact CD1-CD1 4.25Å; L148-Y155 HydrophobicContact CD1-CD2 3.74Å; L148-Y155 HydrophobicContact CD1-CE1 4.32Å; L148-Y155 HydrophobicContact CD1-CE2 3.87Å; L148-Y155 HydrophobicContact CD1-CG 3.96Å; L148-Y206 HydrophobicContact CD2-CD1 3.67Å; L148-Y206 HydrophobicContact CD2-CG 3.83Å
149	Q	98.6	Very high	98.5	Very high	32 Å²	32	11.7 Å²	11.7	15%	0.15	6%	0.057	C	C	.	.	H	α-helix	trans	-59.7	-43.3	174.4	-74.5	172.1	85.3	0	0	111.4	N105 Y113 H145 Q151 Q152 Y155	N105-Q149 PolarHBondContact OD1-NE2 3.34Å; Y113-Q149 HydrophobicContact CD1-CG 3.8Å; Y113-Q149 HydrophobicContact CD2-CG 3.77Å; Y113-Q149 HydrophobicContact CE1-CB 4.11Å; Y113-Q149 HydrophobicContact CE1-CG 3.76Å; Y113-Q149 HydrophobicContact CE2-CB 4.5Å; Y113-Q149 HydrophobicContact CE2-CG 3.74Å; Y113-Q149 HydrophobicContact CG-CG 3.8Å; H145-Q149 WeakPolarHBondContact O-CB 3.4Å; H145-Q149 WeakPolarHBondContact O-CG 3.17Å; H145-Q149 PolarHBondContact O-N 3.07Å; H145-Q149 PolarHBondContact O-NE2 3.03Å; Q149-Q151 PolarHBondContact O-N 3.31Å; Q149-Q152 PolarHBondContact O-N 2.84Å; Q149-Y155 HydrophobicContact CG-CE1 4.18Å
150	R	98.4	Very high	98.6	Very high	31 Å²	31	10.6 Å²	10.6	12%	0.117	5%	0.052	C	C	.	.	H	α-helix	trans	-64.1	-22.6	175.1	-70.3	-172.8	-47.1	-90.2	7.6	113	S81 Y83 P146 F147 L148 Q152 D202	S81-R150 WeakPolarHBondContact CB-O 3.34Å; S81-R150 PolarHBondContact OG-O 3.37Å; Y83-R150 VanDerWaalsContact O-CD 3.31Å; Y83-R150 WeakPolarHBondContact O-CD 3.34Å; P146-R150 WeakPolarHBondContact O-CG 3.4Å; P146-R150 PolarHBondContact O-N 3.37Å; P146-R150 VanDerWaalsContact O-N 3.17Å; P146-R150 PolarHBondContact O-NH1 3.29Å; F147-R150 PolarHBondContact O-N 2.86Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 2.91Å; R150-Q152 VanDerWaalsContact C-N 3.27Å; R150-D202 IonicContact CZ-OD2 3.3Å; R150-D202 VanDerWaalsContact CZ-OD2 3.3Å; R150-D202 IonicContact NE-OD2 2.77Å; R150-D202 PolarHBondContact NE-OD2 3.13Å; R150-D202 IonicContact NH2-OD2 2.95Å; R150-D202 PolarHBondContact NH2-OD2 2.83Å
151	Q	98.5	Very high	98.5	Very high	16 Å²	16	12.2 Å²	12.2	8%	0.075	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.1	174.5	-65	-173.8	7.8	0	0	113.7	L84 F147 L148 Q149 L153 D202 N204 L205	L84-Q151 HydrophobicContact CD2-CG 3.79Å; F147-Q151 VanDerWaalsContact CZ-NE2 3.32Å; F147-Q151 PolarHBondContact O-N 3.02Å; L148-Q151 WeakPolarHBondContact O-CB 3.28Å; L148-Q151 PolarHBondContact O-N 3.1Å; Q149-Q151 PolarHBondContact O-N 3.31Å; Q151-L153 VanDerWaalsContact C-N 3.3Å; Q151-L153 HydrophobicContact CB-CD1 4.1Å; Q151-L153 HydrophobicContact CB-CG 3.92Å; Q151-L153 PolarHBondContact O-N 2.94Å; Q151-D202 PolarHBondContact NE2-O 3.21Å; Q151-D202 VanDerWaalsContact NE2-O 3.08Å; Q151-N204 PolarHBondContact NE2-O 3.13Å; Q151-L205 HydrophobicContact CG-CD2 4.2Å
152	Q	98.3	Very high	98.4	Very high	11 Å²	11	12.5 Å²	12.5	5%	0.051	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	40.7	179	-58.1	-177.1	-76.9	0	0	113.7	C77 S81 Y83 P115 C118 A120 L148 Q149 R150	C77-Q152 HydrophobicContact CB-CB 4.23Å; S81-Q152 PolarHBondContact OG-OE1 2.55Å; Y83-Q152 HydrophobicContact CD2-CG 3.86Å; Y83-Q152 HydrophobicContact CE2-CG 4.12Å; P115-Q152 HydrophobicContact CG-CB 3.95Å; P115-Q152 WeakPolarHBondContact CG-O 3.44Å; C118-Q152 PolarHBondContact SG-NE2 2.83Å; A120-Q152 WeakPolarHBondContact CB-O 3.37Å; L148-Q152 PolarHBondContact O-N 3.29Å; Q149-Q152 PolarHBondContact O-N 2.84Å; R150-Q152 VanDerWaalsContact C-N 3.27Å
153	L	98.2	Very high	98.1	Very high	11 Å²	11	12.3 Å²	12.3	6%	0.058	7%	0.065	C	C	.	.			trans	-88	145.1	177.4	-57.2	174.2	0	0	0	111	Y113 V124 L148 Q151 Y155 Y206	Y113-L153 WeakPolarHBondContact CD1-O 3.32Å; V124-L153 HydrophobicContact CG2-CB 4.47Å; V124-L153 HydrophobicContact CG2-CD1 4.21Å; V124-L153 HydrophobicContact CG2-CD2 4Å; V124-L153 HydrophobicContact CG2-CG 4.45Å; L148-L153 HydrophobicContact CD2-CD1 3.84Å; Q151-L153 VanDerWaalsContact C-N 3.3Å; Q151-L153 HydrophobicContact CB-CD1 4.1Å; Q151-L153 HydrophobicContact CB-CG 3.92Å; Q151-L153 PolarHBondContact O-N 2.94Å; L153-Y155 HydrophobicContact CB-CD1 4.23Å; L153-Y206 WeakPolarHBondContact CD1-O 3.41Å
154	D	98.6	Very high	97.4	Very high	23 Å²	23	17.6 Å²	17.6	12%	0.123	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	109.9	153.8	179.7	-18.7	0	0	0	105.7	R112 Y113 R114 A120 R123 V124	R112-D154 IonicContact CZ-OD1 2.94Å; R112-D154 IonicContact NE-OD1 3.02Å; R112-D154 IonicContact NH2-OD1 3.71Å; R112-D154 PolarHBondContact NH2-OD1 3.4Å; R112-D154 IonicContact NH2-OD2 3.45Å; Y113-D154 CarbonylContact O-C 3.55Å; Y113-D154 WeakPolarHBondContact O-CA 3.34Å; R114-D154 HydrophobicContact CB-CB 4.18Å; A120-D154 HydrophobicContact CB-CB 3.86Å; A120-D154 VanDerWaalsContact CB-N 3.27Å; R123-D154 CarbonylContact C-O 3.54Å; R123-D154 WeakPolarHBondContact CA-O 3.45Å; R123-D154 HydrophobicContact CG-CB 3.91Å; V124-D154 PolarHBondContact N-O 2.77Å
155	Y	98.9	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	159.4	-173.3	75.5	-97.4	0	0	0	112.9	R112 Y113 V124 H145 L148 Q149 L153 I157 W187	R112-Y155 WeakPolarHBondContact CA-O 3.49Å; R112-Y155 WeakPolarHBondContact CD-O 3.32Å; R112-Y155 PolarHBondContact NE-O 3.27Å; Y113-Y155 VanDerWaalsContact CB-CE1 3.47Å; Y113-Y155 AromaticContact CD1-CD1 3.82Å; Y113-Y155 HydrophobicContact CD1-CD1 3.82Å; Y113-Y155 AromaticContact CD1-CE1 3.42Å; Y113-Y155 HydrophobicContact CD1-CE1 3.42Å; Y113-Y155 VanDerWaalsContact CD1-CE1 3.42Å; Y113-Y155 HydrophobicContact CE1-CE1 4.44Å; Y113-Y155 HydrophobicContact CG-CD1 4.39Å; Y113-Y155 AromaticContact CG-CE1 3.74Å; Y113-Y155 HydrophobicContact CG-CE1 3.74Å; Y113-Y155 PolarHBondContact N-O 3.1Å; Y113-Y155 VanDerWaalsContact N-O 3.11Å; Y113-Y155 PolarHBondContact O-N 3.09Å; V124-Y155 WeakPolarHBondContact O-CA 3.36Å; V124-Y155 WeakPolarHBondContact O-CB 3.3Å; H145-Y155 AromaticContact ND1-CE2 3.82Å; H145-Y155 AromaticContact ND1-CZ 3.82Å; H145-Y155 PolarHBondContact ND1-OH 2.83Å; L148-Y155 HydrophobicContact CB-CD1 3.68Å; L148-Y155 HydrophobicContact CB-CE1 3.48Å; L148-Y155 VanDerWaalsContact CB-CE1 3.48Å; L148-Y155 HydrophobicContact CB-CE2 4.47Å; L148-Y155 HydrophobicContact CB-CG 4.24Å; L148-Y155 HydrophobicContact CD1-CD1 4.25Å; L148-Y155 HydrophobicContact CD1-CD2 3.74Å; L148-Y155 HydrophobicContact CD1-CE1 4.32Å; L148-Y155 HydrophobicContact CD1-CE2 3.87Å; L148-Y155 HydrophobicContact CD1-CG 3.96Å; Q149-Y155 HydrophobicContact CG-CE1 4.18Å; L153-Y155 HydrophobicContact CB-CD1 4.23Å; Y155-I157 HydrophobicContact CD2-CG1 4.01Å; Y155-I157 HydrophobicContact CE2-CD1 4.12Å; Y155-I157 HydrophobicContact CE2-CG1 3.95Å; Y155-W187 VanDerWaalsContact C-CH2 3.46Å
156	G	98.8	Very high	96.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.7	171.1	0	0	0	0	0	110.7	G111 V124 I126	G111-G156 VanDerWaalsContact O-CA 3.31Å; G111-G156 WeakPolarHBondContact O-CA 3.16Å; V124-G156 PolarHBondContact O-N 3.23Å; I126-G156 PolarHBondContact N-O 2.92Å
157	I	98.9	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.7	175.4	-57.2	-174.2	0	0	0	108.8	G111 I126 I128 L141 L144 H145 Y155 V159 Y333 V334	G111-I157 PolarHBondContact O-N 2.93Å; I126-I157 HydrophobicContact CB-CG1 4.29Å; I126-I157 HydrophobicContact CG1-CG1 4.31Å; I128-I157 HydrophobicContact CD1-CG2 3.71Å; L141-I157 HydrophobicContact CD2-CD1 3.86Å; L141-I157 HydrophobicContact CD2-CG2 4.14Å; L144-I157 HydrophobicContact CD2-CD1 4.24Å; H145-I157 VanDerWaalsContact CE1-CD1 3.42Å; H145-I157 WeakPolarHBondContact CE1-CD1 3.47Å; Y155-I157 HydrophobicContact CD2-CG1 4.01Å; Y155-I157 HydrophobicContact CE2-CD1 4.12Å; Y155-I157 HydrophobicContact CE2-CG1 3.95Å; I157-V159 HydrophobicContact CG2-CG2 4.38Å; I157-Y333 CarbonylContact O-C 3.6Å; I157-Y333 WeakPolarHBondContact O-CA 3.5Å; I157-V334 PolarHBondContact O-N 3.33Å
158	Y	98.9	Very high	95.9	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.4	177.7	-62.9	-93.3	0	0	0	108.7	A125 I126 L127 I128 I160 A181 E184 W187 V334 I336	A125-Y158 HydrophobicContact CB-CD2 4.17Å; A125-Y158 HydrophobicContact CB-CE2 4.02Å; I126-Y158 PolarHBondContact O-N 3.32Å; L127-Y158 HydrophobicContact CD2-CD2 3.99Å; L127-Y158 HydrophobicContact CD2-CG 4.12Å; I128-Y158 PolarHBondContact N-O 3.44Å; Y158-I160 WeakPolarHBondContact O-CD1 3.46Å; Y158-A181 HydrophobicContact CD1-CB 4.21Å; Y158-A181 HydrophobicContact CD2-CB 4Å; Y158-A181 HydrophobicContact CE1-CB 3.95Å; Y158-A181 HydrophobicContact CE2-CB 3.73Å; Y158-A181 HydrophobicContact CG-CB 4.22Å; Y158-E184 HydrophobicContact CE1-CG 4.33Å; Y158-W187 AromaticContact CE2-CE2 3.82Å; Y158-W187 AromaticContact CE2-CZ2 3.73Å; Y158-W187 HydrophobicContact CE2-CZ2 3.73Å; Y158-W187 AromaticContact CE2-NE1 3.68Å; Y158-W187 AromaticContact CZ-CZ2 4Å; Y158-W187 AromaticContact CZ-NE1 3.66Å; Y158-W187 WeakPolarHBondContact OH-CZ2 3.45Å; Y158-W187 PolarHBondContact OH-NE1 3.29Å; Y158-V334 CarbonylContact C-O 3.51Å; Y158-V334 WeakPolarHBondContact CA-O 3.39Å; Y158-V334 HydrophobicContact CD1-CB 3.75Å; Y158-V334 HydrophobicContact CD1-CG1 4.05Å; Y158-V334 HydrophobicContact CD1-CG2 4.27Å; Y158-V334 HydrophobicContact CE1-CB 4Å; Y158-V334 HydrophobicContact CE1-CG1 4.17Å; Y158-V334 HydrophobicContact CE1-CG2 4.06Å; Y158-I336 HydrophobicContact CD1-CD1 3.78Å
159	V	98.9	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.9	174.9	-177.2	0	0	0	0	107.4	I128 H130 L137 I157 H161 Y333 V334 I336	I128-V159 HydrophobicContact CB-CG2 4.49Å; I128-V159 HydrophobicContact CD1-CG2 4.49Å; I128-V159 WeakPolarHBondContact O-CA 3.34Å; H130-V159 HydrophobicContact CB-CG1 3.55Å; L137-V159 HydrophobicContact CD1-CG2 3.79Å; L137-V159 HydrophobicContact CD2-CG1 4.06Å; L137-V159 HydrophobicContact CD2-CG2 4.12Å; I157-V159 HydrophobicContact CG2-CG2 4.38Å; V159-H161 WeakPolarHBondContact CG1-CE1 3.31Å; V159-Y333 HydrophobicContact CB-CD2 3.72Å; V159-Y333 HydrophobicContact CB-CE2 4.04Å; V159-Y333 HydrophobicContact CG2-CD2 3.38Å; V159-Y333 HydrophobicContact CG2-CE2 3.95Å; V159-Y333 HydrophobicContact CG2-CG 3.76Å; V159-V334 PolarHBondContact N-O 3.15Å; V159-I336 PolarHBondContact O-N 3.26Å
160	I	98.8	Very high	95.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	102.6	-175.5	-52.8	88.7	0	0	0	108.6	L127 I128 H130 Y158 L173 V176 I336 V338	L127-I160 HydrophobicContact CB-CD1 4.03Å; L127-I160 HydrophobicContact CD2-CD1 4.48Å; I128-I160 PolarHBondContact O-N 3.41Å; H130-I160 PolarHBondContact N-O 3.26Å; Y158-I160 WeakPolarHBondContact O-CD1 3.46Å; I160-L173 HydrophobicContact CB-CB 4.34Å; I160-L173 HydrophobicContact CG2-CB 4.01Å; I160-L173 HydrophobicContact CG2-CD2 3.66Å; I160-L173 HydrophobicContact CG2-CG 4.45Å; I160-V176 HydrophobicContact CG2-CB 4.22Å; I160-V176 HydrophobicContact CG2-CG1 3.89Å; I160-I336 CarbonylContact C-O 3.43Å; I160-I336 WeakPolarHBondContact CA-O 3.45Å; I160-V338 HydrophobicContact CG2-CG2 4.34Å
161	H	97.8	Very high	95.8	Very high	34 Å²	34	28.8 Å²	28.8	16%	0.157	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.2	177.5	-70.5	-25.9	0	0	0	112.4	H130 V159 N335 I336 T337 V338	H130-H161 WeakPolarHBondContact CB-ND1 3.48Å; H130-H161 AromaticContact CE1-CE1 3.52Å; H130-H161 AromaticContact CE1-ND1 3.99Å; H130-H161 AromaticContact CG-CE1 3.4Å; H130-H161 AromaticContact CG-ND1 3.45Å; H130-H161 AromaticContact ND1-CE1 2.93Å; H130-H161 PolarHBondContact ND1-CE1 2.84Å; H130-H161 AromaticContact ND1-ND1 3Å; H130-H161 PolarHBondContact ND1-ND1 3.14Å; H130-H161 WeakPolarHBondContact O-CA 3.41Å; V159-H161 WeakPolarHBondContact CG1-CE1 3.31Å; H161-N335 VanDerWaalsContact CD2-CG 3.46Å; H161-N335 PolarHBondContact CD2-OD1 3.08Å; H161-N335 PolarHBondContact NE2-OD1 2.88Å; H161-I336 PolarHBondContact N-O 3.21Å; H161-T337 HydrophobicContact CB-CG2 4.42Å; H161-V338 PolarHBondContact O-N 3.24Å
162	Q	95.9	Very high	95.8	Very high	6 Å²	6	29 Å²	29	3%	0.028	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.5	168.7	-161.3	-172.3	-76.2	0	0	110.4	H130 K167 F168 L173 F340 W341	H130-Q162 PolarHBondContact O-N 3.01Å; Q162-K167 PolarHBondContact NE2-O 3.35Å; Q162-F168 HydrophobicContact CB-CD2 4.44Å; Q162-F168 HydrophobicContact CB-CE2 4.45Å; Q162-L173 HydrophobicContact CB-CD1 3.96Å; Q162-L173 HydrophobicContact CB-CD2 3.78Å; Q162-L173 HydrophobicContact CB-CG 4.39Å; Q162-L173 HydrophobicContact CG-CD2 4.19Å; Q162-F340 HydrophobicContact CG-CD2 4.02Å; Q162-F340 HydrophobicContact CG-CE2 3.91Å; Q162-W341 HydrophobicContact CG-CH2 4.22Å; Q162-W341 HydrophobicContact CG-CZ3 4.05Å
163	A	91.3	Very high	95.9	Very high	25 Å²	25	28.5 Å²	28.5	21%	0.207	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-52.1	145.2	170.2	0	0	0	0	0	111.8	V338 D339	A163-V338 WeakPolarHBondContact CB-O 3.42Å; A163-V338 PolarHBondContact N-O 3.47Å; A163-D339 HydrophobicContact CB-CB 4.04Å
164	E	83.6	Confident	95.9	Very high	139 Å²	139	28 Å²	28	65%	0.65	15%	0.151	S	C	*	.	S	Bend	trans	-72.4	169.1	-169.3	-63.7	-159.1	133.4	0	0	114.3	N132	N132-E164 PolarHBondContact ND2-OE1 2.78Å; N132-E164 VanDerWaalsContact ND2-OE1 3.11Å; N132-E164 PolarHBondContact OD1-OE1 2.73Å
165	G	81.1	Confident	95.9	Very high	74 Å²	74	26.9 Å²	26.9	76%	0.763	15%	0.145	S	C	*	.	S	Bend	trans	93.1	-2.3	165.9	0	0	0	0	0	116.6
166	K	89.9	Confident	95.9	Very high	117 Å²	117	26.9 Å²	26.9	51%	0.509	15%	0.145	S	C	.	.	S	Bend	trans	-133.7	175.6	-178.7	-59.9	-68.2	-179.4	-175.7	0	112.7	R131 W341	R131-K166 PolarHBondContact NH1-O 2.87Å; R131-K166 PolarHBondContact NH2-O 2.78Å; K166-W341 HydrophobicContact CB-CD2 3.94Å; K166-W341 VanDerWaalsContact CB-CE2 3.49Å; K166-W341 HydrophobicContact CB-CE3 4.11Å; K166-W341 HydrophobicContact CB-CH2 3.54Å; K166-W341 HydrophobicContact CB-CZ2 3.26Å; K166-W341 HydrophobicContact CB-CZ3 3.95Å; K166-W341 HydrophobicContact CG-CD2 3.64Å; K166-W341 HydrophobicContact CG-CE3 4Å; K166-W341 HydrophobicContact CG-CG 4.08Å; K166-W341 HydrophobicContact CG-CH2 4.32Å; K166-W341 HydrophobicContact CG-CZ2 3.94Å; K166-W341 HydrophobicContact CG-CZ3 4.34Å
167	K	94.5	Very high	95.9	Very high	100 Å²	100	26.9 Å²	26.9	44%	0.435	15%	0.145	S	C	.	.			trans	-61.3	142.4	177	-74	-173.2	176	-177.3	0	111.1	Q162 W254 G294	Q162-K167 PolarHBondContact NE2-O 3.35Å; K167-W254 HydrophobicContact CB-CB 4.22Å; K167-W254 HydrophobicContact CB-CE3 4.27Å; K167-W254 HydrophobicContact CD-CB 4.2Å; K167-G294 CarbonylContact C-O 3.54Å; K167-G294 VanDerWaalsContact CA-O 3.26Å; K167-G294 WeakPolarHBondContact CA-O 3.48Å
168	F	96.7	Very high	95.9	Very high	23 Å²	23	27.2 Å²	27.2	10%	0.101	15%	0.146	C	C	.	.			trans	-71.3	142.3	175.2	-167.2	-117.2	0	0	0	109.8	P129 R131 Q162 R170 L173 G255 G294 N295	P129-F168 HydrophobicContact CB-CZ 4.1Å; R131-F168 HydrophobicContact CB-CD2 3.96Å; R131-F168 HydrophobicContact CB-CE2 3.78Å; Q162-F168 HydrophobicContact CB-CD2 4.44Å; Q162-F168 HydrophobicContact CB-CE2 4.45Å; F168-R170 HydrophobicContact CD1-CB 4.17Å; F168-R170 HydrophobicContact CE1-CB 3.74Å; F168-R170 HydrophobicContact CE1-CG 4.36Å; F168-L173 HydrophobicContact CD2-CD1 4.01Å; F168-L173 HydrophobicContact CE1-CD1 4.37Å; F168-L173 HydrophobicContact CE2-CD1 3.26Å; F168-L173 HydrophobicContact CZ-CD1 3.49Å; F168-L173 VanDerWaalsContact CZ-CD1 3.49Å; F168-G255 PolarHBondContact O-N 3.36Å; F168-G294 PolarHBondContact N-O 3.31Å; F168-N295 HydrophobicContact CB-CB 4.41Å
169	N	98	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.			trans	-133.9	86.5	173.6	-170.7	-26.5	0	0	0	109.9	A171 K172 L173 N251 Y253 W254	N169-A171 VanDerWaalsContact C-N 3.32Å; N169-A171 PolarHBondContact O-N 2.88Å; N169-K172 HydrophobicContact CB-CB 4.09Å; N169-K172 PolarHBondContact O-N 3.13Å; N169-K172 WeakPolarHBondContact OD1-CB 3.42Å; N169-K172 PolarHBondContact OD1-N 3.15Å; N169-L173 WeakPolarHBondContact O-CD1 3.37Å; N169-L173 VanDerWaalsContact O-CG 3.28Å; N169-L173 WeakPolarHBondContact O-CG 3.33Å; N169-L173 PolarHBondContact O-N 3.23Å; N169-L173 VanDerWaalsContact O-N 3.1Å; N169-N251 PolarHBondContact ND2-O 3.49Å; N169-Y253 VanDerWaalsContact CG-O 3.26Å; N169-Y253 PolarHBondContact OD1-O 3.48Å; N169-W254 HydrophobicContact CB-CD2 4.12Å; N169-W254 HydrophobicContact CB-CE3 3.49Å; N169-W254 VanDerWaalsContact CB-CE3 3.49Å; N169-W254 HydrophobicContact CB-CH2 3.95Å; N169-W254 HydrophobicContact CB-CZ3 3.34Å; N169-W254 WeakPolarHBondContact ND2-CZ2 3.43Å
170	R	98.3	Very high	95.9	Very high	23 Å²	23	29.9 Å²	29.9	9%	0.087	16%	0.16	C	C	.	.	H	α-helix	trans	-52.4	-50.9	179.5	-177.7	176.9	163.2	-81.8	-1.7	111.8	P129 F168 K172 L173 L174 D194 E259 D260	P129-R170 HydrophobicContact CB-CG 4.16Å; P129-R170 HydrophobicContact CG-CG 3.66Å; F168-R170 HydrophobicContact CD1-CB 4.17Å; F168-R170 HydrophobicContact CE1-CB 3.74Å; F168-R170 HydrophobicContact CE1-CG 4.36Å; R170-K172 PolarHBondContact O-N 3.16Å; R170-L173 PolarHBondContact O-N 2.83Å; R170-L174 HydrophobicContact CG-CD1 4.28Å; R170-L174 WeakPolarHBondContact O-CG 3.47Å; R170-L174 PolarHBondContact O-N 3.1Å; R170-D194 IonicContact CZ-OD1 3.79Å; R170-D194 IonicContact NE-OD1 3.03Å; R170-D194 PolarHBondContact NE-OD1 2.8Å; R170-D194 IonicContact NH2-OD1 3.49Å; R170-D194 PolarHBondContact NH2-OD1 3.11Å; R170-E259 WeakPolarHBondContact CD-OE1 3.37Å; R170-E259 IonicContact CZ-OE1 3.59Å; R170-E259 IonicContact NE-OE1 3.67Å; R170-E259 IonicContact NH1-OE1 3.48Å; R170-E259 PolarHBondContact NH1-OE1 2.71Å; R170-D260 IonicContact CZ-OD1 3.79Å; R170-D260 IonicContact NH1-OD1 2.84Å; R170-D260 PolarHBondContact NH1-OD1 3.34Å; R170-D260 IonicContact NH2-OD1 3.81Å
171	A	98.7	Very high	95.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-45.4	-174.9	0	0	0	0	0	112	N169 L174 N175 F249 S250 E259	N169-A171 VanDerWaalsContact C-N 3.32Å; N169-A171 PolarHBondContact O-N 2.88Å; A171-L174 PolarHBondContact O-N 3.2Å; A171-N175 PolarHBondContact O-N 3.3Å; A171-N175 VanDerWaalsContact O-N 3.13Å; A171-F249 HydrophobicContact CB-CB 3.84Å; A171-F249 HydrophobicContact CB-CD1 4.29Å; A171-F249 HydrophobicContact CB-CG 4.21Å; A171-S250 VanDerWaalsContact CB-O 3.24Å; A171-S250 WeakPolarHBondContact CB-O 3.35Å; A171-E259 HydrophobicContact CB-CB 3.73Å; A171-E259 HydrophobicContact CB-CG 3.85Å
172	K	98.7	Very high	95.9	Very high	21 Å²	21	30.9 Å²	30.9	9%	0.091	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-37.8	178.2	-167.1	173.8	-175.4	-174.9	0	112.3	N169 R170 L174 N175 V176 N251 W254 S321 F340	N169-K172 HydrophobicContact CB-CB 4.09Å; N169-K172 PolarHBondContact O-N 3.13Å; N169-K172 WeakPolarHBondContact OD1-CB 3.42Å; N169-K172 PolarHBondContact OD1-N 3.15Å; R170-K172 PolarHBondContact O-N 3.16Å; K172-L174 VanDerWaalsContact C-N 3.3Å; K172-L174 PolarHBondContact O-N 2.84Å; K172-N175 WeakPolarHBondContact O-CB 3.47Å; K172-N175 PolarHBondContact O-N 3.24Å; K172-V176 WeakPolarHBondContact O-CG2 3.38Å; K172-V176 PolarHBondContact O-N 3.11Å; K172-N251 HydrophobicContact CD-CB 4.11Å; K172-N251 HydrophobicContact CG-CB 4.2Å; K172-W254 HydrophobicContact CD-CH2 4.29Å; K172-W254 HydrophobicContact CD-CZ2 4.3Å; K172-S321 WeakPolarHBondContact CE-O 3.39Å; K172-S321 PolarHBondContact NZ-O 2.94Å; K172-F340 HydrophobicContact CB-CE2 4.32Å; K172-F340 HydrophobicContact CB-CZ 4.02Å; K172-F340 HydrophobicContact CD-CD1 3.74Å; K172-F340 HydrophobicContact CD-CD2 4.21Å; K172-F340 HydrophobicContact CD-CE1 3.69Å; K172-F340 HydrophobicContact CD-CE2 4.15Å; K172-F340 HydrophobicContact CD-CG 4.01Å; K172-F340 HydrophobicContact CD-CZ 3.9Å; K172-F340 VanDerWaalsContact CE-CD1 3.48Å; K172-F340 HydrophobicContact CG-CD1 4.26Å; K172-F340 HydrophobicContact CG-CE1 3.67Å; K172-F340 HydrophobicContact CG-CE2 4.23Å; K172-F340 HydrophobicContact CG-CZ 3.65Å
173	L	98.8	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-37.1	173.6	-67.6	163	0	0	0	112.1	P129 I160 Q162 F168 N169 R170 V176 G177 V338 F340	P129-L173 HydrophobicContact CB-CB 3.86Å; P129-L173 HydrophobicContact CB-CD1 4Å; I160-L173 HydrophobicContact CB-CB 4.34Å; I160-L173 HydrophobicContact CG2-CB 4.01Å; I160-L173 HydrophobicContact CG2-CD2 3.66Å; I160-L173 HydrophobicContact CG2-CG 4.45Å; Q162-L173 HydrophobicContact CB-CD1 3.96Å; Q162-L173 HydrophobicContact CB-CD2 3.78Å; Q162-L173 HydrophobicContact CB-CG 4.39Å; Q162-L173 HydrophobicContact CG-CD2 4.19Å; F168-L173 HydrophobicContact CD2-CD1 4.01Å; F168-L173 HydrophobicContact CE1-CD1 4.37Å; F168-L173 HydrophobicContact CE2-CD1 3.26Å; F168-L173 HydrophobicContact CZ-CD1 3.49Å; F168-L173 VanDerWaalsContact CZ-CD1 3.49Å; N169-L173 WeakPolarHBondContact O-CD1 3.37Å; N169-L173 VanDerWaalsContact O-CG 3.28Å; N169-L173 WeakPolarHBondContact O-CG 3.33Å; N169-L173 PolarHBondContact O-N 3.23Å; N169-L173 VanDerWaalsContact O-N 3.1Å; R170-L173 PolarHBondContact O-N 2.83Å; L173-V176 WeakPolarHBondContact O-CB 3.17Å; L173-V176 PolarHBondContact O-N 3.37Å; L173-G177 PolarHBondContact O-N 3.06Å; L173-V338 HydrophobicContact CD2-CG2 3.71Å; L173-F340 HydrophobicContact CD2-CE2 3.83Å; L173-F340 HydrophobicContact CD2-CZ 3.72Å; L173-F340 HydrophobicContact CG-CE2 4.04Å; L173-F340 HydrophobicContact CG-CZ 4.06Å
174	L	98.9	Very high	96.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-37	176.3	-69.7	175.4	0	0	0	112.4	L127 P129 R170 A171 K172 G177 Y178 F192 F249	L127-L174 HydrophobicContact CB-CD2 3.97Å; L127-L174 WeakPolarHBondContact O-CD2 3.38Å; P129-L174 HydrophobicContact CB-CD2 4.2Å; P129-L174 HydrophobicContact CB-CG 4.3Å; P129-L174 HydrophobicContact CG-CD1 4.41Å; P129-L174 HydrophobicContact CG-CD2 3.79Å; P129-L174 HydrophobicContact CG-CG 4.02Å; R170-L174 HydrophobicContact CG-CD1 4.28Å; R170-L174 WeakPolarHBondContact O-CG 3.47Å; R170-L174 PolarHBondContact O-N 3.1Å; A171-L174 PolarHBondContact O-N 3.2Å; K172-L174 VanDerWaalsContact C-N 3.3Å; K172-L174 PolarHBondContact O-N 2.84Å; L174-G177 PolarHBondContact O-N 2.87Å; L174-Y178 PolarHBondContact O-N 2.94Å; L174-F192 HydrophobicContact CB-CD1 3.87Å; L174-F192 HydrophobicContact CB-CE1 4.36Å; L174-F192 HydrophobicContact CD1-CB 3.99Å; L174-F192 HydrophobicContact CD1-CD1 4.14Å; L174-F192 HydrophobicContact CD1-CG 4.44Å; L174-F192 HydrophobicContact CD2-CB 4.24Å; L174-F192 HydrophobicContact CD2-CD1 3.93Å; L174-F192 HydrophobicContact CG-CD1 4.18Å; L174-F249 HydrophobicContact CB-CD2 3.79Å; L174-F249 HydrophobicContact CB-CE2 3.75Å; L174-F249 HydrophobicContact CD1-CD2 4.24Å; L174-F249 HydrophobicContact CD1-CE2 3.59Å; L174-F249 HydrophobicContact CD1-CZ 3.76Å; L174-F249 HydrophobicContact CG-CE2 4.32Å
175	N	98.9	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-44.7	169.7	-77.8	-15.3	0	0	0	111.7	A171 K172 Y178 L179 F243 F249 N251 L317 C320	A171-N175 PolarHBondContact O-N 3.3Å; A171-N175 VanDerWaalsContact O-N 3.13Å; K172-N175 WeakPolarHBondContact O-CB 3.47Å; K172-N175 PolarHBondContact O-N 3.24Å; N175-Y178 PolarHBondContact O-N 3.04Å; N175-L179 WeakPolarHBondContact O-CG 3.45Å; N175-L179 PolarHBondContact O-N 2.98Å; N175-F243 VanDerWaalsContact OD1-CZ 3.3Å; N175-F243 WeakPolarHBondContact OD1-CZ 3.38Å; N175-F249 PolarHBondContact ND2-O 3.03Å; N175-F249 PolarHBondContact OD1-N 3.15Å; N175-N251 PolarHBondContact ND2-OD1 2.83Å; N175-L317 HydrophobicContact CB-CD2 4.04Å; N175-C320 HydrophobicContact CB-CB 4.3Å; N175-C320 VanDerWaalsContact CB-SG 3.57Å
176	V	98.9	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.6	-49.6	174	169	0	0	0	0	110.6	I160 K172 L173 Y178 L179 E180 Y322 I336 V338 F340	I160-V176 HydrophobicContact CG2-CB 4.22Å; I160-V176 HydrophobicContact CG2-CG1 3.89Å; K172-V176 WeakPolarHBondContact O-CG2 3.38Å; K172-V176 PolarHBondContact O-N 3.11Å; L173-V176 WeakPolarHBondContact O-CB 3.17Å; L173-V176 PolarHBondContact O-N 3.37Å; V176-Y178 VanDerWaalsContact C-N 3.28Å; V176-Y178 PolarHBondContact O-N 3.06Å; V176-L179 PolarHBondContact O-N 3.34Å; V176-L179 VanDerWaalsContact O-N 3.1Å; V176-E180 HydrophobicContact CG1-CG 4.05Å; V176-E180 WeakPolarHBondContact O-CG 3.47Å; V176-E180 PolarHBondContact O-N 3.19Å; V176-Y322 HydrophobicContact CG1-CD2 4.32Å; V176-Y322 HydrophobicContact CG1-CE2 4.13Å; V176-Y322 HydrophobicContact CG2-CD1 3.61Å; V176-Y322 HydrophobicContact CG2-CD2 4.08Å; V176-Y322 HydrophobicContact CG2-CE1 3.92Å; V176-Y322 HydrophobicContact CG2-CE2 4.35Å; V176-Y322 HydrophobicContact CG2-CG 3.7Å; V176-I336 HydrophobicContact CG1-CG2 4.35Å; V176-V338 HydrophobicContact CG1-CG1 3.57Å; V176-V338 HydrophobicContact CG1-CG2 4.3Å; V176-V338 HydrophobicContact CG2-CG2 4.43Å; V176-F340 HydrophobicContact CG2-CE1 3.85Å; V176-F340 HydrophobicContact CG2-CZ 4.19Å
177	G	98.9	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.6	-42.2	179.6	0	0	0	0	0	112.6	L173 L174 A181	L173-G177 PolarHBondContact O-N 3.06Å; L174-G177 PolarHBondContact O-N 2.87Å; G177-A181 WeakPolarHBondContact O-CB 3.48Å; G177-A181 PolarHBondContact O-N 2.99Å
178	Y	98.9	Very high	98.3	Very high	7 Å²	7	29 Å²	29	3%	0.027	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-47.8	175.1	175.8	-90.8	0	0	0	111.9	L127 L174 N175 V176 L182 F190 R240 F243 L317	L127-Y178 VanDerWaalsContact CD1-N 3.32Å; L174-Y178 PolarHBondContact O-N 2.94Å; N175-Y178 PolarHBondContact O-N 3.04Å; V176-Y178 VanDerWaalsContact C-N 3.28Å; V176-Y178 PolarHBondContact O-N 3.06Å; Y178-L182 HydrophobicContact CD1-CD1 3.98Å; Y178-L182 HydrophobicContact CE1-CD1 3.45Å; Y178-L182 VanDerWaalsContact CE1-CD1 3.45Å; Y178-L182 HydrophobicContact CE2-CD1 4.19Å; Y178-L182 WeakPolarHBondContact O-CG 3.33Å; Y178-L182 PolarHBondContact O-N 2.97Å; Y178-F190 AromaticContact CD2-CD1 3.59Å; Y178-F190 HydrophobicContact CD2-CD1 3.59Å; Y178-F190 AromaticContact CD2-CD2 3.67Å; Y178-F190 HydrophobicContact CD2-CD2 3.67Å; Y178-F190 AromaticContact CD2-CE1 3.52Å; Y178-F190 HydrophobicContact CD2-CE1 3.52Å; Y178-F190 AromaticContact CD2-CE2 3.65Å; Y178-F190 HydrophobicContact CD2-CE2 3.65Å; Y178-F190 AromaticContact CD2-CG 3.64Å; Y178-F190 HydrophobicContact CD2-CG 3.64Å; Y178-F190 AromaticContact CD2-CZ 3.56Å; Y178-F190 HydrophobicContact CD2-CZ 3.56Å; Y178-F190 HydrophobicContact CE2-CD1 4.29Å; Y178-F190 AromaticContact CE2-CD2 3.55Å; Y178-F190 HydrophobicContact CE2-CD2 3.55Å; Y178-F190 HydrophobicContact CE2-CE1 4.07Å; Y178-F190 AromaticContact CE2-CE2 3.32Å; Y178-F190 HydrophobicContact CE2-CE2 3.32Å; Y178-F190 HydrophobicContact CE2-CG 4.04Å; Y178-F190 AromaticContact CE2-CZ 3.59Å; Y178-F190 HydrophobicContact CE2-CZ 3.59Å; Y178-F190 HydrophobicContact CG-CD1 4.45Å; Y178-F190 HydrophobicContact CG-CE1 4.24Å; Y178-F190 HydrophobicContact CG-CZ 4.45Å; Y178-R240 HydrophobicContact CE2-CG 4.27Å; Y178-R240 VanDerWaalsContact OH-CG 3.27Å; Y178-R240 WeakPolarHBondContact OH-CG 3.49Å; Y178-R240 PolarHBondContact OH-O 3.46Å; Y178-F243 AromaticContact CD1-CD1 3.94Å; Y178-F243 HydrophobicContact CD1-CD1 3.94Å; Y178-F243 HydrophobicContact CD1-CE1 4.01Å; Y178-F243 HydrophobicContact CD2-CB 4.47Å; Y178-F243 AromaticContact CD2-CD1 3.31Å; Y178-F243 HydrophobicContact CD2-CD1 3.31Å; Y178-F243 AromaticContact CD2-CE1 3.78Å; Y178-F243 HydrophobicContact CD2-CE1 3.78Å; Y178-F243 HydrophobicContact CD2-CG 4.19Å; Y178-F243 HydrophobicContact CE1-CD1 4.12Å; Y178-F243 HydrophobicContact CE2-CB 4.05Å; Y178-F243 AromaticContact CE2-CD1 3.51Å; Y178-F243 HydrophobicContact CE2-CD1 3.51Å; Y178-F243 HydrophobicContact CE2-CE1 4.38Å; Y178-F243 HydrophobicContact CE2-CG 4.2Å; Y178-F243 AromaticContact CG-CD1 3.53Å; Y178-F243 HydrophobicContact CG-CD1 3.53Å; Y178-F243 AromaticContact CG-CE1 3.56Å; Y178-F243 HydrophobicContact CG-CE1 3.56Å; Y178-F243 AromaticContact CZ-CD1 3.91Å; Y178-L317 HydrophobicContact CD1-CD1 4.09Å; Y178-L317 HydrophobicContact CD1-CD2 3.76Å; Y178-L317 HydrophobicContact CE1-CD1 3.85Å; Y178-L317 HydrophobicContact CE1-CD2 4.33Å
179	L	98.8	Very high	98.4	Very high	46 Å²	46	27.9 Å²	27.9	24%	0.241	13%	0.134	C	C	.	.	H	α-helix	trans	-66.4	-42.3	-178.2	-69	170.4	0	0	0	112.6	N175 V176 L317 C320 Y322	N175-L179 WeakPolarHBondContact O-CG 3.45Å; N175-L179 PolarHBondContact O-N 2.98Å; V176-L179 PolarHBondContact O-N 3.34Å; V176-L179 VanDerWaalsContact O-N 3.1Å; L179-L317 HydrophobicContact CD1-CD2 4.31Å; L179-L317 HydrophobicContact CD2-CD2 4.14Å; L179-L317 HydrophobicContact CG-CD2 4Å; L179-C320 HydrophobicContact CD1-CB 4.15Å; L179-Y322 HydrophobicContact CD1-CE1 3.91Å
180	E	98.8	Very high	98.4	Very high	11 Å²	11	27.9 Å²	27.9	5%	0.051	13%	0.134	C	C	.	.	H	α-helix	trans	-75.1	-41.1	-179.8	-67.3	-58.3	146.6	0	0	112	V176 L182 K183 Y322 I336	V176-E180 HydrophobicContact CG1-CG 4.05Å; V176-E180 WeakPolarHBondContact O-CG 3.47Å; V176-E180 PolarHBondContact O-N 3.19Å; E180-L182 PolarHBondContact O-N 3.17Å; E180-K183 WeakPolarHBondContact O-CB 3.37Å; E180-K183 PolarHBondContact O-N 3.37Å; E180-K183 IonicContact OE1-NZ 2.62Å; E180-K183 PolarHBondContact OE1-NZ 3.19Å; E180-K183 WeakPolarHBondContact OE2-CD 3.46Å; E180-K183 WeakPolarHBondContact OE2-CE 3.31Å; E180-K183 IonicContact OE2-NZ 2.78Å; E180-K183 PolarHBondContact OE2-NZ 3.18Å; E180-Y322 WeakPolarHBondContact OE1-CE2 3.43Å; E180-Y322 PolarHBondContact OE1-OH 3.46Å; E180-I336 HydrophobicContact CB-CD1 3.62Å; E180-I336 HydrophobicContact CG-CD1 4.31Å; E180-I336 HydrophobicContact CG-CG2 4.18Å
181	A	98.7	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-36.1	178	0	0	0	0	0	112	A125 L127 Y158 G177 K183 E184 E185 W187 F190	A125-A181 HydrophobicContact CB-CB 4.24Å; L127-A181 HydrophobicContact CD2-CB 4.17Å; Y158-A181 HydrophobicContact CD1-CB 4.21Å; Y158-A181 HydrophobicContact CD2-CB 4Å; Y158-A181 HydrophobicContact CE1-CB 3.95Å; Y158-A181 HydrophobicContact CE2-CB 3.73Å; Y158-A181 HydrophobicContact CG-CB 4.22Å; G177-A181 WeakPolarHBondContact O-CB 3.48Å; G177-A181 PolarHBondContact O-N 2.99Å; A181-K183 PolarHBondContact O-N 2.94Å; A181-E184 PolarHBondContact O-N 2.91Å; A181-E184 VanDerWaalsContact O-N 3.12Å; A181-E185 PolarHBondContact O-N 2.79Å; A181-W187 PolarHBondContact O-NE1 3.13Å; A181-W187 VanDerWaalsContact O-NE1 3.13Å; A181-F190 HydrophobicContact CB-CE1 4.25Å
182	L	98.6	Very high	98.5	Very high	56 Å²	56	26.7 Å²	26.7	29%	0.293	13%	0.129	S	C	.	.	H	α-helix	trans	-66.4	-16.5	176.3	-77.9	174.9	0	0	0	114.5	Y178 E180 F190 R240	Y178-L182 HydrophobicContact CD1-CD1 3.98Å; Y178-L182 HydrophobicContact CE1-CD1 3.45Å; Y178-L182 VanDerWaalsContact CE1-CD1 3.45Å; Y178-L182 HydrophobicContact CE2-CD1 4.19Å; Y178-L182 WeakPolarHBondContact O-CG 3.33Å; Y178-L182 PolarHBondContact O-N 2.97Å; E180-L182 PolarHBondContact O-N 3.17Å; L182-F190 HydrophobicContact CD1-CZ 4.35Å; L182-F190 HydrophobicContact CD2-CE2 4.4Å; L182-F190 HydrophobicContact CD2-CZ 3.72Å; L182-F190 HydrophobicContact CG-CE1 4.46Å; L182-F190 HydrophobicContact CG-CZ 3.78Å; L182-R240 HydrophobicContact CD2-CG 4.37Å
183	K	98.1	Very high	98.5	Very high	135 Å²	135	25.7 Å²	25.7	59%	0.587	13%	0.125	S	C	*	.	H	α-helix	trans	-78.6	-24.5	173.3	-58.4	178.1	-166.7	167.6	0	112.1	E180 A181	E180-K183 WeakPolarHBondContact O-CB 3.37Å; E180-K183 PolarHBondContact O-N 3.37Å; E180-K183 IonicContact OE1-NZ 2.62Å; E180-K183 PolarHBondContact OE1-NZ 3.19Å; E180-K183 WeakPolarHBondContact OE2-CD 3.46Å; E180-K183 WeakPolarHBondContact OE2-CE 3.31Å; E180-K183 IonicContact OE2-NZ 2.78Å; E180-K183 PolarHBondContact OE2-NZ 3.18Å; A181-K183 PolarHBondContact O-N 2.94Å
184	E	95.4	Very high	98.5	Very high	96 Å²	96	27 Å²	27	45%	0.449	13%	0.132	S	C	.	.	H	α-helix	trans	-91	-37.5	-176.4	-67.7	-78.8	132.9	0	0	112.3	Y158 A181 H329	Y158-E184 HydrophobicContact CE1-CG 4.33Å; A181-E184 PolarHBondContact O-N 2.91Å; A181-E184 VanDerWaalsContact O-N 3.12Å; E184-H329 IonicContact OE1-CE1 2.91Å; E184-H329 IonicContact OE1-NE2 3.85Å; E184-H329 IonicContact OE2-CD2 3.06Å; E184-H329 IonicContact OE2-CE1 3.97Å; E184-H329 IonicContact OE2-NE2 2.83Å; E184-H329 PolarHBondContact OE2-NE2 3.02Å
185	E	97.2	Very high	98.4	Very high	55 Å²	55	27.7 Å²	27.7	26%	0.257	14%	0.136	S	C	.	.			trans	-154.8	154	-177.2	176.3	60.5	-108.2	0	0	111	R112 R123 A181 W187	R112-E185 IonicContact NH2-OE2 3.37Å; R123-E185 IonicContact CZ-OE1 2.67Å; R123-E185 IonicContact NH1-OE1 3.94Å; R123-E185 PolarHBondContact NH1-OE1 2.88Å; A181-E185 PolarHBondContact O-N 2.79Å; E185-W187 HydrophobicContact CB-CD2 4.14Å; E185-W187 HydrophobicContact CB-CG 4.39Å; E185-W187 HydrophobicContact CB-CZ2 4.04Å; E185-W187 HydrophobicContact CG-CD2 4.05Å; E185-W187 HydrophobicContact CG-CE3 4.32Å; E185-W187 HydrophobicContact CG-CG 4.48Å; E185-W187 HydrophobicContact CG-CZ2 4.29Å; E185-W187 VanDerWaalsContact O-CD1 3.3Å; E185-W187 PolarHBondContact O-N 3.45Å
186	N	97.1	Very high	98.4	Very high	83 Å²	83	28.2 Å²	28.2	44%	0.444	14%	0.139	S	C	.	.			trans	-79.5	64.8	175.3	-172.8	47.6	0	0	0	110.1	R123 R240	R123-N186 PolarHBondContact NE-O 2.84Å; R123-N186 PolarHBondContact NH1-O 2.92Å; R123-N186 PolarHBondContact NH2-ND2 3.43Å; R123-N186 PolarHBondContact NH2-O 2.67Å; N186-R240 VanDerWaalsContact CG-NH2 3.26Å; N186-R240 PolarHBondContact O-NH2 3.25Å; N186-R240 PolarHBondContact OD1-NH1 3.28Å; N186-R240 PolarHBondContact OD1-NH2 2.93Å
187	W	98.6	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.			trans	-60.8	126.7	-177.7	-65.9	113.4	0	0	0	115.1	R123 V124 A125 Y155 Y158 A181 E185 F190 R240	R123-W187 VanDerWaalsContact C-CE3 3.45Å; R123-W187 HydrophobicContact CB-CE3 3.59Å; R123-W187 HydrophobicContact CB-CZ3 3.85Å; V124-W187 VanDerWaalsContact C-CZ3 3.44Å; V124-W187 VanDerWaalsContact N-CE3 3.32Å; V124-W187 VanDerWaalsContact O-CZ3 3.28Å; V124-W187 WeakPolarHBondContact O-CZ3 3.48Å; A125-W187 HydrophobicContact CB-CB 4.23Å; A125-W187 HydrophobicContact CB-CD2 3.74Å; A125-W187 HydrophobicContact CB-CE3 4.25Å; A125-W187 HydrophobicContact CB-CG 3.71Å; Y155-W187 VanDerWaalsContact C-CH2 3.46Å; Y158-W187 AromaticContact CE2-CE2 3.82Å; Y158-W187 AromaticContact CE2-CZ2 3.73Å; Y158-W187 HydrophobicContact CE2-CZ2 3.73Å; Y158-W187 AromaticContact CE2-NE1 3.68Å; Y158-W187 AromaticContact CZ-CZ2 4Å; Y158-W187 AromaticContact CZ-NE1 3.66Å; Y158-W187 WeakPolarHBondContact OH-CZ2 3.45Å; Y158-W187 PolarHBondContact OH-NE1 3.29Å; A181-W187 PolarHBondContact O-NE1 3.13Å; A181-W187 VanDerWaalsContact O-NE1 3.13Å; E185-W187 HydrophobicContact CB-CD2 4.14Å; E185-W187 HydrophobicContact CB-CG 4.39Å; E185-W187 HydrophobicContact CB-CZ2 4.04Å; E185-W187 HydrophobicContact CG-CD2 4.05Å; E185-W187 HydrophobicContact CG-CE3 4.32Å; E185-W187 HydrophobicContact CG-CG 4.48Å; E185-W187 HydrophobicContact CG-CZ2 4.29Å; E185-W187 VanDerWaalsContact O-CD1 3.3Å; E185-W187 PolarHBondContact O-N 3.45Å; W187-F190 HydrophobicContact CB-CE1 4.15Å; W187-F190 HydrophobicContact CB-CE2 4.1Å; W187-F190 HydrophobicContact CB-CZ 3.66Å; W187-F190 HydrophobicContact CG-CZ 4.43Å; W187-R240 PolarHBondContact O-NE 2.92Å; W187-R240 PolarHBondContact O-NH2 2.94Å
188	D	98.6	Very high	98.3	Very high	51 Å²	51	28.2 Å²	28.2	27%	0.273	14%	0.139	S	C	.	.	S	Bend	trans	-82.4	-33.4	-177.1	-49.4	-53	0	0	0	111.5	R123 R240	R123-D188 WeakPolarHBondContact CB-OD2 3.38Å; R123-D188 IonicContact CZ-OD1 2.8Å; R123-D188 IonicContact CZ-OD2 2.8Å; R123-D188 PolarHBondContact N-OD2 2.97Å; R123-D188 IonicContact NE-OD1 2.97Å; R123-D188 IonicContact NE-OD2 3.8Å; R123-D188 PolarHBondContact NE-OD2 3.39Å; R123-D188 IonicContact NH2-OD1 3.21Å; R123-D188 PolarHBondContact NH2-OD1 3.11Å; R123-D188 IonicContact NH2-OD2 3.86Å; R123-D188 PolarHBondContact O-N 3.32Å; D188-R240 PolarHBondContact O-N 3.25Å
189	C	98.9	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.6	-174.5	-179.8	0	0	0	0	112.2	R123 V124 A125 C208	R123-C189 PolarHBondContact O-N 2.88Å; V124-C189 WeakPolarHBondContact CA-O 3.18Å; V124-C189 HydrophobicContact CB-CB 4.48Å; V124-C189 HydrophobicContact CG1-CB 4.23Å; V124-C189 HydrophobicContact CG2-CB 4.12Å; A125-C189 PolarHBondContact N-O 2.85Å; C189-C208 WeakPolarHBondContact CA-SG 3.32Å; C189-C208 HydrophobicContact CB-CB 3.62Å; C189-C208 WeakPolarHBondContact CB-SG 3.46Å; C189-C208 VanDerWaalsContact SG-CA 3.57Å; C189-C208 WeakPolarHBondContact SG-CB 3.26Å; C189-C208 PolarHBondContact SG-N 3Å; C189-C208 CovalentContact SG-SG 2.03Å; C189-C208 PolarHBondContact SG-SG 2.85Å
190	F	98.9	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.5	175.3	-64.7	-93.1	0	0	0	110.4	A125 L127 Y178 A181 L182 W187 F192 A237 L238 R240	A125-F190 HydrophobicContact CB-CD1 3.72Å; A125-F190 HydrophobicContact CB-CE1 3.84Å; A125-F190 CarbonylContact O-C 3.55Å; A125-F190 WeakPolarHBondContact O-CA 3.47Å; L127-F190 HydrophobicContact CD1-CD1 3.86Å; L127-F190 HydrophobicContact CG-CD1 4.3Å; Y178-F190 AromaticContact CD2-CD1 3.59Å; Y178-F190 HydrophobicContact CD2-CD1 3.59Å; Y178-F190 AromaticContact CD2-CD2 3.67Å; Y178-F190 HydrophobicContact CD2-CD2 3.67Å; Y178-F190 AromaticContact CD2-CE1 3.52Å; Y178-F190 HydrophobicContact CD2-CE1 3.52Å; Y178-F190 AromaticContact CD2-CE2 3.65Å; Y178-F190 HydrophobicContact CD2-CE2 3.65Å; Y178-F190 AromaticContact CD2-CG 3.64Å; Y178-F190 HydrophobicContact CD2-CG 3.64Å; Y178-F190 AromaticContact CD2-CZ 3.56Å; Y178-F190 HydrophobicContact CD2-CZ 3.56Å; Y178-F190 HydrophobicContact CE2-CD1 4.29Å; Y178-F190 AromaticContact CE2-CD2 3.55Å; Y178-F190 HydrophobicContact CE2-CD2 3.55Å; Y178-F190 HydrophobicContact CE2-CE1 4.07Å; Y178-F190 AromaticContact CE2-CE2 3.32Å; Y178-F190 HydrophobicContact CE2-CE2 3.32Å; Y178-F190 HydrophobicContact CE2-CG 4.04Å; Y178-F190 AromaticContact CE2-CZ 3.59Å; Y178-F190 HydrophobicContact CE2-CZ 3.59Å; Y178-F190 HydrophobicContact CG-CD1 4.45Å; Y178-F190 HydrophobicContact CG-CE1 4.24Å; Y178-F190 HydrophobicContact CG-CZ 4.45Å; A181-F190 HydrophobicContact CB-CE1 4.25Å; L182-F190 HydrophobicContact CD1-CZ 4.35Å; L182-F190 HydrophobicContact CD2-CE2 4.4Å; L182-F190 HydrophobicContact CD2-CZ 3.72Å; L182-F190 HydrophobicContact CG-CE1 4.46Å; L182-F190 HydrophobicContact CG-CZ 3.78Å; W187-F190 HydrophobicContact CB-CE1 4.15Å; W187-F190 HydrophobicContact CB-CE2 4.1Å; W187-F190 HydrophobicContact CB-CZ 3.66Å; W187-F190 HydrophobicContact CG-CZ 4.43Å; F190-F192 HydrophobicContact CB-CE1 4.43Å; F190-F192 HydrophobicContact CB-CE2 3.98Å; F190-F192 HydrophobicContact CB-CZ 3.77Å; F190-A237 WeakPolarHBondContact O-CA 3.48Å; F190-L238 PolarHBondContact N-O 3.43Å; F190-L238 PolarHBondContact O-N 2.98Å; F190-R240 HydrophobicContact CD2-CB 4.46Å; F190-R240 HydrophobicContact CE2-CB 3.86Å; F190-R240 HydrophobicContact CE2-CG 4Å
191	I	98.9	Very high	98.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.8	171.3	-48.9	-58.1	0	0	0	107.9	V124 A125 I126 L127 H193 Y206 L215 V235 T236 A237	V124-I191 HydrophobicContact CG1-CD1 4.11Å; V124-I191 HydrophobicContact CG1-CG1 3.5Å; A125-I191 PolarHBondContact O-N 2.74Å; I126-I191 HydrophobicContact CD1-CB 3.59Å; I126-I191 HydrophobicContact CD1-CG1 3.4Å; I126-I191 HydrophobicContact CD1-CG2 4.31Å; I126-I191 HydrophobicContact CG2-CB 4.47Å; L127-I191 PolarHBondContact N-O 2.88Å; I191-H193 HydrophobicContact CG2-CB 4.4Å; I191-Y206 HydrophobicContact CG1-CD1 4.29Å; I191-Y206 HydrophobicContact CG2-CD1 3.94Å; I191-Y206 HydrophobicContact CG2-CE1 4.13Å; I191-L215 HydrophobicContact CD1-CD1 4.22Å; I191-L215 HydrophobicContact CG2-CD1 3.97Å; I191-V235 HydrophobicContact CG2-CG1 3.63Å; I191-T236 CarbonylContact C-O 3.58Å; I191-T236 WeakPolarHBondContact CA-O 3.07Å; I191-A237 HydrophobicContact CD1-CB 3.33Å
192	F	98.9	Very high	98.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.6	175.3	-54.3	-80.8	0	0	0	108.1	L127 L174 F190 V235 T236 L238 F243 F249	L127-F192 HydrophobicContact CB-CD1 4.49Å; L127-F192 HydrophobicContact CD1-CD1 4Å; L127-F192 HydrophobicContact CD1-CE1 3.7Å; L174-F192 HydrophobicContact CB-CD1 3.87Å; L174-F192 HydrophobicContact CB-CE1 4.36Å; L174-F192 HydrophobicContact CD1-CB 3.99Å; L174-F192 HydrophobicContact CD1-CD1 4.14Å; L174-F192 HydrophobicContact CD1-CG 4.44Å; L174-F192 HydrophobicContact CD2-CB 4.24Å; L174-F192 HydrophobicContact CD2-CD1 3.93Å; L174-F192 HydrophobicContact CG-CD1 4.18Å; F190-F192 HydrophobicContact CB-CE1 4.43Å; F190-F192 HydrophobicContact CB-CE2 3.98Å; F190-F192 HydrophobicContact CB-CZ 3.77Å; F192-V235 VanDerWaalsContact O-CA 3.26Å; F192-V235 WeakPolarHBondContact O-CA 3.45Å; F192-T236 PolarHBondContact N-O 2.9Å; F192-T236 PolarHBondContact O-N 2.8Å; F192-L238 HydrophobicContact CD2-CD1 3.99Å; F192-L238 HydrophobicContact CE2-CB 4.13Å; F192-L238 HydrophobicContact CE2-CD1 3.79Å; F192-F243 HydrophobicContact CE1-CD2 4.15Å; F192-F243 HydrophobicContact CE1-CE1 4.12Å; F192-F243 AromaticContact CE1-CE2 3.65Å; F192-F243 HydrophobicContact CE1-CE2 3.65Å; F192-F243 AromaticContact CE1-CZ 3.62Å; F192-F243 HydrophobicContact CE1-CZ 3.62Å; F192-F243 AromaticContact CE2-CD2 3.71Å; F192-F243 HydrophobicContact CE2-CD2 3.71Å; F192-F243 AromaticContact CE2-CE2 3.9Å; F192-F243 HydrophobicContact CE2-CE2 3.9Å; F192-F243 HydrophobicContact CE2-CG 4.32Å; F192-F243 HydrophobicContact CZ-CB 4.44Å; F192-F243 HydrophobicContact CZ-CD1 4.01Å; F192-F243 AromaticContact CZ-CD2 3.28Å; F192-F243 HydrophobicContact CZ-CD2 3.28Å; F192-F243 AromaticContact CZ-CE1 3.96Å; F192-F243 HydrophobicContact CZ-CE1 3.96Å; F192-F243 AromaticContact CZ-CE2 3.26Å; F192-F243 HydrophobicContact CZ-CE2 3.26Å; F192-F243 AromaticContact CZ-CG 3.66Å; F192-F243 HydrophobicContact CZ-CG 3.66Å; F192-F243 AromaticContact CZ-CZ 3.6Å; F192-F243 HydrophobicContact CZ-CZ 3.6Å; F192-F249 HydrophobicContact CB-CE2 4.42Å; F192-F249 HydrophobicContact CB-CZ 4.41Å; F192-F249 AromaticContact CD1-CE2 3.64Å; F192-F249 HydrophobicContact CD1-CE2 3.64Å; F192-F249 HydrophobicContact CD1-CZ 4.41Å; F192-F249 HydrophobicContact CD2-CE2 4.38Å; F192-F249 AromaticContact CE1-CE2 3.92Å; F192-F249 HydrophobicContact CE1-CE2 3.92Å; F192-F249 AromaticContact CG-CE2 3.87Å; F192-F249 HydrophobicContact CG-CE2 3.87Å; F192-F249 HydrophobicContact CG-CZ 4.22Å; F192-F249 HydrophobicContact CZ-CE2 4.44Å
193	H	98.9	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	118.7	-159.9	-166.2	-63.5	0	0	0	112.7	I126 L127 I128 P129 L140 I191 L197 Y206 V235	I126-H193 HydrophobicContact CG2-CB 4.11Å; L127-H193 PolarHBondContact O-N 3.02Å; I128-H193 HydrophobicContact CG1-CB 4.2Å; P129-H193 VanDerWaalsContact CD-O 3.24Å; P129-H193 WeakPolarHBondContact CD-O 3.39Å; L140-H193 VanDerWaalsContact CD1-CE1 3.42Å; L140-H193 WeakPolarHBondContact CD1-CE1 3.4Å; I191-H193 HydrophobicContact CG2-CB 4.4Å; H193-L197 PolarHBondContact CE1-O 2.81Å; H193-Y206 AromaticContact CD2-CE1 3.54Å; H193-Y206 AromaticContact CD2-CZ 3.97Å; H193-Y206 AromaticContact NE2-CE1 3.79Å; H193-Y206 AromaticContact NE2-CZ 3.89Å; H193-Y206 PolarHBondContact NE2-OH 2.93Å; H193-Y206 VanDerWaalsContact NE2-OH 3.09Å; H193-V235 HydrophobicContact CB-CG1 4.19Å; H193-V235 WeakPolarHBondContact CD2-CG1 3.31Å
194	D	98.4	Very high	98.3	Very high	28 Å²	28	22.4 Å²	22.4	15%	0.15	11%	0.11	C	C	.	.			trans	-66.5	134.3	171.7	-70.5	-0.5	0	0	0	111.1	R170 D196 L197 G234	R170-D194 IonicContact CZ-OD1 3.79Å; R170-D194 IonicContact NE-OD1 3.03Å; R170-D194 PolarHBondContact NE-OD1 2.8Å; R170-D194 IonicContact NH2-OD1 3.49Å; R170-D194 PolarHBondContact NH2-OD1 3.11Å; D194-D196 WeakPolarHBondContact CB-OD1 3.45Å; D194-D196 PolarHBondContact O-N 2.78Å; D194-D196 VanDerWaalsContact O-N 3.14Å; D194-L197 HydrophobicContact CB-CD1 4Å; D194-L197 HydrophobicContact CB-CG 4.09Å; D194-L197 PolarHBondContact O-N 3.06Å; D194-G234 VanDerWaalsContact CG-O 3.31Å; D194-G234 PolarHBondContact N-O 3Å; D194-G234 VanDerWaalsContact N-O 3.09Å; D194-G234 WeakPolarHBondContact OD2-CA 3.42Å
195	V	98.4	Very high	98.4	Very high	13 Å²	13	19.3 Å²	19.3	8%	0.079	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23	-175.2	68.9	0	0	0	0	113.7	I128 R133 H136 L137 L140	I128-V195 HydrophobicContact CG2-CB 3.78Å; I128-V195 HydrophobicContact CG2-CG2 4.09Å; R133-V195 HydrophobicContact CB-CG1 3.98Å; R133-V195 HydrophobicContact CG-CG1 4.2Å; H136-V195 HydrophobicContact CB-CG1 4.29Å; H136-V195 HydrophobicContact CB-CG2 4.07Å; L137-V195 HydrophobicContact CB-CG2 3.81Å; L137-V195 HydrophobicContact CD1-CG2 4.21Å; L140-V195 HydrophobicContact CD2-CG2 4.49Å
196	D	97.5	Very high	98.5	Very high	11 Å²	11	16.7 Å²	16.7	6%	0.059	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1.5	-173.7	70.1	-30.6	0	0	0	114.2	D194 M286 V287 H289	D194-D196 WeakPolarHBondContact CB-OD1 3.45Å; D194-D196 PolarHBondContact O-N 2.78Å; D194-D196 VanDerWaalsContact O-N 3.14Å; D196-M286 CarbonylContact O-C 3.52Å; D196-M286 VanDerWaalsContact O-CA 3.3Å; D196-M286 WeakPolarHBondContact O-CA 3.21Å; D196-M286 WeakPolarHBondContact OD2-CE 3.4Å; D196-M286 WeakPolarHBondContact OD2-CG 3.27Å; D196-V287 PolarHBondContact O-N 3.49Å; D196-H289 IonicContact OD2-CD2 3.44Å; D196-H289 PolarHBondContact OD2-CD2 3.3Å; D196-H289 IonicContact OD2-NE2 3.66Å; D196-H289 PolarHBondContact OD2-NE2 3.47Å; D196-H289 VanDerWaalsContact OD2-NE2 3.12Å
197	L	98.4	Very high	98.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	105.4	-177.7	-67.7	-177.5	0	0	0	111.6	H193 D194 V216 V235 Y284 M286	H193-L197 PolarHBondContact CE1-O 2.81Å; D194-L197 HydrophobicContact CB-CD1 4Å; D194-L197 HydrophobicContact CB-CG 4.09Å; D194-L197 PolarHBondContact O-N 3.06Å; L197-V216 HydrophobicContact CD1-CG2 4.09Å; L197-V235 HydrophobicContact CB-CG2 4.17Å; L197-V235 HydrophobicContact CD1-CG2 4.15Å; L197-Y284 HydrophobicContact CB-CD1 3.81Å; L197-Y284 HydrophobicContact CB-CE1 4.5Å; L197-M286 HydrophobicContact CD2-CB 3.83Å; L197-M286 HydrophobicContact CD2-CG 4.02Å
198	V	98.6	Very high	98.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.5	179.7	-175.5	0	0	0	0	110.2	L90 F92 L140 H143 Y284 T285 V287	L90-V198 HydrophobicContact CD1-CB 3.96Å; L90-V198 HydrophobicContact CD1-CG1 3.73Å; L90-V198 HydrophobicContact CD2-CG1 3.78Å; L90-V198 HydrophobicContact CG-CG1 4.4Å; F92-V198 HydrophobicContact CE1-CB 4.45Å; F92-V198 HydrophobicContact CE1-CG2 4Å; F92-V198 HydrophobicContact CZ-CB 4.44Å; F92-V198 HydrophobicContact CZ-CG2 4.35Å; L140-V198 HydrophobicContact CD1-CG2 4.31Å; H143-V198 HydrophobicContact CB-CG1 3.6Å; H143-V198 VanDerWaalsContact CD2-CG1 3.43Å; H143-V198 WeakPolarHBondContact CD2-CG1 3.28Å; V198-Y284 CarbonylContact O-C 3.46Å; V198-Y284 VanDerWaalsContact O-CA 3.27Å; V198-Y284 WeakPolarHBondContact O-CA 3Å; V198-T285 PolarHBondContact N-O 3.28Å; V198-T285 PolarHBondContact O-N 3.45Å; V198-V287 HydrophobicContact CG2-CG2 4.22Å
199	P	98.4	Very high	98.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	145.9	-179.2	28	-35	0	0	0	111.5	H143 F147 Y206 Y284	H143-P199 PolarHBondContact NE2-O 3.23Å; F147-P199 HydrophobicContact CD1-CG 4.43Å; F147-P199 HydrophobicContact CD2-CB 4.49Å; F147-P199 HydrophobicContact CD2-CG 3.95Å; F147-P199 HydrophobicContact CE1-CG 4.16Å; F147-P199 HydrophobicContact CE2-CB 3.74Å; F147-P199 HydrophobicContact CE2-CG 3.64Å; F147-P199 HydrophobicContact CG-CG 4.34Å; F147-P199 HydrophobicContact CZ-CB 3.83Å; F147-P199 HydrophobicContact CZ-CG 3.77Å; P199-Y206 HydrophobicContact CB-CE2 4.42Å; P199-Y206 HydrophobicContact CG-CE2 4.46Å; P199-Y206 WeakPolarHBondContact CG-OH 3.36Å; P199-Y284 HydrophobicContact CB-CD1 4.17Å; P199-Y284 HydrophobicContact CB-CE1 3.69Å; P199-Y284 HydrophobicContact CB-CE2 4.47Å; P199-Y284 HydrophobicContact CG-CE1 4.32Å
200	E	98.3	Very high	98.3	Very high	11 Å²	11	25.1 Å²	25.1	5%	0.051	12%	0.119	C	C	.	.	S	Bend	trans	-102.9	-8.8	-177.6	-70	177	-157.7	0	0	113.9	Q87 S88 L90 Y224 K283 T285	Q87-E200 CarbonylContact C-O 3.49Å; Q87-E200 VanDerWaalsContact CA-O 3.25Å; Q87-E200 WeakPolarHBondContact CA-O 3.08Å; S88-E200 PolarHBondContact N-O 2.99Å; L90-E200 HydrophobicContact CD1-CG 3.73Å; L90-E200 HydrophobicContact CG-CG 4.38Å; E200-Y224 VanDerWaalsContact OE1-CE1 3.26Å; E200-Y224 WeakPolarHBondContact OE1-CE1 3.48Å; E200-Y224 PolarHBondContact OE1-OH 3.33Å; E200-K283 HydrophobicContact CB-CB 4.22Å; E200-K283 PolarHBondContact N-O 3.26Å; E200-T285 PolarHBondContact OE1-N 2.94Å; E200-T285 VanDerWaalsContact OE1-N 3.1Å; E200-T285 PolarHBondContact OE1-OG1 2.85Å
201	N	98.6	Very high	98.2	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.07	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-145.7	119.8	-172.9	-170.8	-27.5	0	0	0	110.8	G86 F203 N204 E280	G86-N201 VanDerWaalsContact C-OD1 3.23Å; G86-N201 VanDerWaalsContact CA-OD1 3.25Å; G86-N201 WeakPolarHBondContact CA-OD1 3.36Å; G86-N201 WeakPolarHBondContact O-CA 3.26Å; G86-N201 PolarHBondContact O-OD1 2.94Å; N201-F203 PolarHBondContact O-N 2.8Å; N201-F203 WeakPolarHBondContact OD1-CB 3.38Å; N201-F203 VanDerWaalsContact OD1-CD2 3.28Å; N201-F203 WeakPolarHBondContact OD1-CD2 3.31Å; N201-F203 PolarHBondContact OD1-N 2.84Å; N201-N204 WeakPolarHBondContact O-CB 3.4Å; N201-N204 PolarHBondContact O-N 3.4Å; N201-E280 PolarHBondContact ND2-O 3.5Å
202	D	98.4	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2	-176.4	66.3	16.9	0	0	0	114.8	L84 R85 G86 F147 R150 Q151 N204	L84-D202 HydrophobicContact CD2-CB 4.38Å; R85-D202 VanDerWaalsContact N-CG 3.34Å; R85-D202 PolarHBondContact N-OD1 2.84Å; R85-D202 PolarHBondContact N-OD2 3.37Å; R85-D202 VanDerWaalsContact N-OD2 3.07Å; G86-D202 WeakPolarHBondContact CA-OD1 3.4Å; G86-D202 PolarHBondContact N-OD1 2.89Å; G86-D202 PolarHBondContact O-N 2.93Å; G86-D202 VanDerWaalsContact O-N 3.1Å; F147-D202 HydrophobicContact CD2-CB 3.7Å; F147-D202 HydrophobicContact CE2-CB 3.62Å; F147-D202 HydrophobicContact CG-CB 4.43Å; F147-D202 HydrophobicContact CZ-CB 4.28Å; R150-D202 IonicContact CZ-OD2 3.3Å; R150-D202 VanDerWaalsContact CZ-OD2 3.3Å; R150-D202 IonicContact NE-OD2 2.77Å; R150-D202 PolarHBondContact NE-OD2 3.13Å; R150-D202 IonicContact NH2-OD2 2.95Å; R150-D202 PolarHBondContact NH2-OD2 2.83Å; Q151-D202 PolarHBondContact NE2-O 3.21Å; Q151-D202 VanDerWaalsContact NE2-O 3.08Å; D202-N204 PolarHBondContact O-N 3.07Å
203	F	98.4	Very high	98.2	Very high	109 Å²	109	28.4 Å²	28.4	48%	0.478	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.8	158.3	-64.1	-52.6	0	0	0	112.7	L84 N201 L205 V281	L84-F203 HydrophobicContact CB-CD1 4.04Å; L84-F203 HydrophobicContact CB-CE1 3.7Å; L84-F203 HydrophobicContact CB-CZ 4.48Å; L84-F203 HydrophobicContact CD1-CD1 3.7Å; L84-F203 HydrophobicContact CD1-CE1 3.97Å; L84-F203 HydrophobicContact CG-CE1 4.49Å; N201-F203 PolarHBondContact O-N 2.8Å; N201-F203 WeakPolarHBondContact OD1-CB 3.38Å; N201-F203 VanDerWaalsContact OD1-CD2 3.28Å; N201-F203 WeakPolarHBondContact OD1-CD2 3.31Å; N201-F203 PolarHBondContact OD1-N 2.84Å; F203-L205 VanDerWaalsContact C-N 3.34Å; F203-L205 PolarHBondContact O-N 2.85Å; F203-V281 HydrophobicContact CB-CG1 3.96Å; F203-V281 HydrophobicContact CB-CG2 4.18Å
204	N	98.4	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-78.5	85.5	169.9	-161.3	2	0	0	0	109.4	F147 Q151 N201 D202 Y206 L215 V281 Y284	F147-N204 WeakPolarHBondContact CZ-O 3.47Å; Q151-N204 PolarHBondContact NE2-O 3.13Å; N201-N204 WeakPolarHBondContact O-CB 3.4Å; N201-N204 PolarHBondContact O-N 3.4Å; D202-N204 PolarHBondContact O-N 3.07Å; N204-Y206 VanDerWaalsContact O-CD2 3.29Å; N204-Y206 WeakPolarHBondContact O-CD2 3.32Å; N204-Y206 PolarHBondContact O-N 3.11Å; N204-L215 PolarHBondContact ND2-O 3.36Å; N204-L215 WeakPolarHBondContact OD1-CD2 3.42Å; N204-V281 VanDerWaalsContact CA-CG1 3.48Å; N204-V281 HydrophobicContact CB-CG1 3.67Å; N204-Y284 VanDerWaalsContact ND2-CE2 3.33Å; N204-Y284 WeakPolarHBondContact ND2-CE2 3.35Å; N204-Y284 PolarHBondContact ND2-OH 3.32Å
205	L	98.2	Very high	98.2	Very high	32 Å²	32	27.1 Å²	27.1	17%	0.168	13%	0.127	C	C	.	.			trans	-71.2	121.6	-171.7	-54.8	-179.7	0	0	0	112.1	L84 Q151 F203 K207 K213 L215	L84-L205 HydrophobicContact CD1-CD2 3.89Å; L84-L205 HydrophobicContact CD2-CD2 4.47Å; Q151-L205 HydrophobicContact CG-CD2 4.2Å; F203-L205 VanDerWaalsContact C-N 3.34Å; F203-L205 PolarHBondContact O-N 2.85Å; L205-K207 HydrophobicContact CB-CD 4.2Å; L205-K207 HydrophobicContact CB-CG 4Å; L205-K207 HydrophobicContact CD1-CD 4.27Å; L205-K207 VanDerWaalsContact CD1-CE 3.48Å; L205-K207 PolarHBondContact O-N 3.22Å; L205-K213 PolarHBondContact O-NZ 3.49Å; L205-L215 WeakPolarHBondContact O-CD2 3.41Å
206	Y	98.6	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.124	C	C	.	.			trans	-82.6	61.3	177.4	-83.2	-141.5	0	0	0	109.9	I126 L144 F147 L148 L153 I191 H193 P199 N204 L215 V235 Y284	I126-Y206 HydrophobicContact CD1-CD1 4.09Å; L144-Y206 HydrophobicContact CD1-CD1 4.18Å; L144-Y206 HydrophobicContact CD1-CE1 3.64Å; F147-Y206 AromaticContact CE1-CD2 3.6Å; F147-Y206 HydrophobicContact CE1-CD2 3.6Å; F147-Y206 AromaticContact CE1-CE2 3.64Å; F147-Y206 HydrophobicContact CE1-CE2 3.64Å; F147-Y206 HydrophobicContact CE1-CG 4.08Å; F147-Y206 HydrophobicContact CZ-CD2 4.1Å; F147-Y206 AromaticContact CZ-CE2 3.87Å; F147-Y206 HydrophobicContact CZ-CE2 3.87Å; L148-Y206 HydrophobicContact CD2-CD1 3.67Å; L148-Y206 HydrophobicContact CD2-CG 3.83Å; L153-Y206 WeakPolarHBondContact CD1-O 3.41Å; I191-Y206 HydrophobicContact CG1-CD1 4.29Å; I191-Y206 HydrophobicContact CG2-CD1 3.94Å; I191-Y206 HydrophobicContact CG2-CE1 4.13Å; H193-Y206 AromaticContact CD2-CE1 3.54Å; H193-Y206 AromaticContact CD2-CZ 3.97Å; H193-Y206 AromaticContact NE2-CE1 3.79Å; H193-Y206 AromaticContact NE2-CZ 3.89Å; H193-Y206 PolarHBondContact NE2-OH 2.93Å; H193-Y206 VanDerWaalsContact NE2-OH 3.09Å; P199-Y206 HydrophobicContact CB-CE2 4.42Å; P199-Y206 HydrophobicContact CG-CE2 4.46Å; P199-Y206 WeakPolarHBondContact CG-OH 3.36Å; N204-Y206 VanDerWaalsContact O-CD2 3.29Å; N204-Y206 WeakPolarHBondContact O-CD2 3.32Å; N204-Y206 PolarHBondContact O-N 3.11Å; Y206-L215 HydrophobicContact CD2-CD1 4.16Å; Y206-L215 HydrophobicContact CD2-CD2 4.37Å; Y206-L215 HydrophobicContact CE2-CD1 4.24Å; Y206-L215 HydrophobicContact CG-CD1 4.46Å; Y206-V235 HydrophobicContact CE1-CG1 4.49Å; Y206-Y284 VanDerWaalsContact CE2-OH 3.26Å; Y206-Y284 WeakPolarHBondContact CE2-OH 3.34Å; Y206-Y284 VanDerWaalsContact OH-CE1 3.28Å; Y206-Y284 WeakPolarHBondContact OH-CE1 3.5Å; Y206-Y284 PolarHBondContact OH-OH 3.4Å
207	K	97.4	Very high	98.1	Very high	54 Å²	54	26.7 Å²	26.7	24%	0.235	13%	0.125	C	C	.	.	S	Bend	trans	-136.4	159.2	177.8	70.5	-176.9	-176.5	-177.2	0	110	S79 L205	S79-K207 PolarHBondContact O-NZ 2.93Å; L205-K207 HydrophobicContact CB-CD 4.2Å; L205-K207 HydrophobicContact CB-CG 4Å; L205-K207 HydrophobicContact CD1-CD 4.27Å; L205-K207 VanDerWaalsContact CD1-CE 3.48Å; L205-K207 PolarHBondContact O-N 3.22Å
208	C	98.4	Very high	97.9	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.061	13%	0.127	C	C	.	.			trans	-90.7	150.6	179.4	-69.2	0	0	0	0	110.5	Q122 C189 L238 S239	Q122-C208 PolarHBondContact NE2-O 2.9Å; C189-C208 WeakPolarHBondContact CA-SG 3.32Å; C189-C208 HydrophobicContact CB-CB 3.62Å; C189-C208 WeakPolarHBondContact CB-SG 3.46Å; C189-C208 VanDerWaalsContact SG-CA 3.57Å; C189-C208 WeakPolarHBondContact SG-CB 3.26Å; C189-C208 PolarHBondContact SG-N 3Å; C189-C208 CovalentContact SG-SG 2.03Å; C189-C208 PolarHBondContact SG-SG 2.85Å; C208-L238 PolarHBondContact SG-O 3.38Å; C208-S239 PolarHBondContact SG-N 3.03Å
209	E	96.5	Very high	97.7	Very high	81 Å²	81	28.3 Å²	28.3	38%	0.379	13%	0.132	S	C	.	.			trans	-126.3	-177.4	-179.8	-69	169.1	-164.8	0	0	109.1	H211 K213 Q242 S275	E209-H211 PolarHBondContact O-N 2.78Å; E209-H211 VanDerWaalsContact O-N 3.13Å; E209-K213 IonicContact OE1-NZ 2.83Å; E209-K213 PolarHBondContact OE1-NZ 3.2Å; E209-Q242 PolarHBondContact O-NE2 3.12Å; E209-S275 PolarHBondContact OE2-OG 3.35Å
210	E	96.8	Very high	97.6	Very high	166 Å²	166	31.4 Å²	31.4	78%	0.776	15%	0.149	S	C	*	.	S	Bend	trans	-56.4	-29.4	178.5	-174	-175.7	171.9	0	0	113.1	Q242	E210-Q242 PolarHBondContact O-NE2 3.14Å
211	H	98	Very high	97.2	Very high	58 Å²	58	34.4 Å²	34.4	27%	0.269	17%	0.171	S	C	.	.	S	Bend	trans	-118.3	146.3	179.8	-74.9	-33.1	0	0	0	110.8	E209 K213 K273	E209-H211 PolarHBondContact O-N 2.78Å; E209-H211 VanDerWaalsContact O-N 3.13Å; H211-K213 PolarHBondContact O-N 3.37Å; H211-K273 WeakPolarHBondContact CB-O 3.35Å
212	P	98.6	Very high	96.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.			trans	-48.9	131.9	169.6	-34.3	41.6	0	0	0	111.9	F232 A237 L238 Q242 V267 M272 K273 I274 S275	P212-F232 HydrophobicContact CB-CZ 4.06Å; P212-A237 WeakPolarHBondContact CA-O 3.33Å; P212-L238 HydrophobicContact CB-CD1 4.49Å; P212-L238 HydrophobicContact CB-CD2 4.17Å; P212-L238 HydrophobicContact CB-CG 3.9Å; P212-L238 HydrophobicContact CG-CD2 4Å; P212-L238 HydrophobicContact CG-CG 4.1Å; P212-Q242 HydrophobicContact CG-CB 4.49Å; P212-Q242 HydrophobicContact CG-CG 4.46Å; P212-V267 HydrophobicContact CB-CG1 4.19Å; P212-V267 HydrophobicContact CB-CG2 4.43Å; P212-V267 HydrophobicContact CG-CG1 3.85Å; P212-V267 HydrophobicContact CG-CG2 4.14Å; P212-M272 HydrophobicContact CG-CB 4.31Å; P212-M272 HydrophobicContact CG-CE 4.23Å; P212-M272 HydrophobicContact CG-SD 4.12Å; P212-K273 WeakPolarHBondContact CD-O 3.42Å; P212-I274 CarbonylContact O-C 3.36Å; P212-I274 VanDerWaalsContact O-CA 3.32Å; P212-I274 WeakPolarHBondContact O-CA 3.18Å; P212-S275 PolarHBondContact O-N 3.31Å
213	K	98.5	Very high	96.7	Very high	12 Å²	12	38.2 Å²	38.2	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.7	-174.6	-171.3	173.7	-175.6	172.8	0	110.2	L205 E209 H211 L215 T236 A237 S275	L205-K213 PolarHBondContact O-NZ 3.49Å; E209-K213 IonicContact OE1-NZ 2.83Å; E209-K213 PolarHBondContact OE1-NZ 3.2Å; H211-K213 PolarHBondContact O-N 3.37Å; K213-L215 HydrophobicContact CD-CD2 3.84Å; K213-L215 HydrophobicContact CG-CD2 4.14Å; K213-L215 HydrophobicContact CG-CG 4.39Å; K213-T236 CarbonylContact O-C 3.54Å; K213-T236 VanDerWaalsContact O-CA 3.26Å; K213-T236 WeakPolarHBondContact O-CA 3.47Å; K213-A237 HydrophobicContact CB-CB 4.08Å; K213-A237 PolarHBondContact N-O 2.84Å; K213-A237 PolarHBondContact O-N 2.8Å; K213-S275 CarbonylContact C-O 3.48Å; K213-S275 WeakPolarHBondContact CA-O 3.24Å; K213-S275 WeakPolarHBondContact CB-OG 3.31Å
214	H	98.7	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.2	168.5	-179.3	-124.9	0	0	0	108.6	V216 Y231 F232 G233 I274 S275 R276 P277	H214-V216 PolarHBondContact CE1-O 2.85Å; H214-V216 PolarHBondContact ND1-O 3.11Å; H214-V216 PolarHBondContact NE2-O 3.06Å; H214-Y231 AromaticContact CE1-CD1 3.56Å; H214-Y231 PolarHBondContact CE1-O 3.4Å; H214-Y231 AromaticContact NE2-CD1 3.74Å; H214-Y231 AromaticContact NE2-CE1 3.87Å; H214-F232 HydrophobicContact CB-CD2 3.69Å; H214-F232 HydrophobicContact CB-CE2 3.77Å; H214-F232 AromaticContact CD2-CD2 3.97Å; H214-G233 PolarHBondContact NE2-O 3.46Å; H214-I274 HydrophobicContact CB-CG2 3.71Å; H214-S275 PolarHBondContact N-O 3.47Å; H214-R276 HydrophobicContact CB-CG 3.87Å; H214-R276 PolarHBondContact ND1-NE 3.14Å; H214-R276 VanDerWaalsContact ND1-NE 3.1Å; H214-P277 WeakPolarHBondContact O-CD 3.47Å
215	L	98.6	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.			trans	-77.9	-24.8	-171.4	-69.2	160.7	0	0	0	111.7	I191 N204 L205 Y206 K213 V235 A237 Y284	I191-L215 HydrophobicContact CD1-CD1 4.22Å; I191-L215 HydrophobicContact CG2-CD1 3.97Å; N204-L215 PolarHBondContact ND2-O 3.36Å; N204-L215 WeakPolarHBondContact OD1-CD2 3.42Å; L205-L215 WeakPolarHBondContact O-CD2 3.41Å; Y206-L215 HydrophobicContact CD2-CD1 4.16Å; Y206-L215 HydrophobicContact CD2-CD2 4.37Å; Y206-L215 HydrophobicContact CE2-CD1 4.24Å; Y206-L215 HydrophobicContact CG-CD1 4.46Å; K213-L215 HydrophobicContact CD-CD2 3.84Å; K213-L215 HydrophobicContact CG-CD2 4.14Å; K213-L215 HydrophobicContact CG-CG 4.39Å; L215-V235 HydrophobicContact CB-CB 4.18Å; L215-V235 HydrophobicContact CB-CG1 4.18Å; L215-V235 HydrophobicContact CD1-CG1 3.67Å; L215-V235 PolarHBondContact N-O 2.82Å; L215-A237 HydrophobicContact CD1-CB 4.26Å; L215-Y284 WeakPolarHBondContact CB-OH 3.38Å; L215-Y284 VanDerWaalsContact O-CE2 3.29Å; L215-Y284 WeakPolarHBondContact O-CE2 3.17Å
216	V	98	Very high	96.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.239	C	C	.	.			trans	-92.7	101.2	-177.9	-172.9	0	0	0	0	111	L197 H214 V235 Y284	L197-V216 HydrophobicContact CD1-CG2 4.09Å; H214-V216 PolarHBondContact CE1-O 2.85Å; H214-V216 PolarHBondContact ND1-O 3.11Å; H214-V216 PolarHBondContact NE2-O 3.06Å; V216-V235 HydrophobicContact CG2-CB 3.66Å; V216-V235 HydrophobicContact CG2-CG2 3.75Å; V216-V235 VanDerWaalsContact CG2-N 3.3Å; V216-Y284 HydrophobicContact CB-CD2 4.13Å; V216-Y284 HydrophobicContact CB-CE2 4.28Å; V216-Y284 HydrophobicContact CG1-CD2 4.02Å; V216-Y284 HydrophobicContact CG1-CG 4.39Å; V216-Y284 HydrophobicContact CG2-CD1 4.36Å; V216-Y284 HydrophobicContact CG2-CD2 3.84Å; V216-Y284 HydrophobicContact CG2-CE1 4.29Å; V216-Y284 HydrophobicContact CG2-CE2 3.81Å; V216-Y284 HydrophobicContact CG2-CG 4.16Å
217	V	95.4	Very high	96	Very high	15 Å²	15	53.1 Å²	53.1	9%	0.091	26%	0.26	C	S	.	.	S	Bend	trans	-83.5	-34.8	170.8	178.1	0	0	0	0	111.2	R225 L226 R276 P277 P279 G282	V217-R225 CarbonylContact O-C 3.6Å; V217-L226 WeakPolarHBondContact O-CA 3.23Å; V217-L226 WeakPolarHBondContact O-CB 3.45Å; V217-L226 PolarHBondContact O-N 2.82Å; V217-R276 HydrophobicContact CG2-CB 4.15Å; V217-P277 HydrophobicContact CG2-CG 3.91Å; V217-P277 WeakPolarHBondContact CG2-O 3.47Å; V217-P279 HydrophobicContact CG1-CB 4.1Å; V217-P279 HydrophobicContact CG1-CG 4.39Å; V217-G282 PolarHBondContact N-O 3.38Å
218	G	94.9	Very high	96	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	158.2	178.2	0	0	0	0	0	112	G282 K283 Y284	G218-G282 PolarHBondContact N-O 3.33Å; G218-K283 WeakPolarHBondContact O-CA 3.14Å; G218-Y284 PolarHBondContact O-N 2.91Å
219	R	95.4	Very high	95.7	Very high	31 Å²	31	59.4 Å²	59.4	12%	0.117	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.8	177.9	56.6	-176.2	-179.6	-174.6	1	112.1	S221 T222 G223 Y224 Y284	R219-S221 WeakPolarHBondContact CD-OG 3.27Å; R219-S221 WeakPolarHBondContact CG-OG 3.44Å; R219-S221 PolarHBondContact NE-OG 3.13Å; R219-S221 PolarHBondContact O-N 3.47Å; R219-S221 VanDerWaalsContact O-N 3.15Å; R219-T222 HydrophobicContact CG-CG2 3.78Å; R219-T222 PolarHBondContact N-OG1 3.5Å; R219-T222 VanDerWaalsContact N-OG1 3.1Å; R219-T222 CarbonylContact O-C 3.58Å; R219-T222 WeakPolarHBondContact O-CA 3.44Å; R219-T222 PolarHBondContact O-N 2.9Å; R219-T222 PolarHBondContact O-OG1 2.84Å; R219-T222 VanDerWaalsContact O-OG1 3.08Å; R219-G223 PolarHBondContact O-N 2.87Å; R219-Y224 PolarHBondContact O-N 2.91Å; R219-Y284 CarbonylContact C-O 3.2Å; R219-Y284 WeakPolarHBondContact CA-O 3.29Å; R219-Y284 WeakPolarHBondContact CB-O 3.33Å
220	N	94.4	Very high	95.7	Very high	64 Å²	64	56.2 Å²	56.2	34%	0.342	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-45.7	-44.5	175.1	63	-22.6	0	0	0	112.5	T222 G223 Y224 Y284 M286	N220-T222 VanDerWaalsContact C-N 3.26Å; N220-T222 PolarHBondContact O-N 2.89Å; N220-G223 PolarHBondContact O-N 3.24Å; N220-G223 VanDerWaalsContact O-N 3.14Å; N220-Y224 HydrophobicContact CB-CE1 4.19Å; N220-Y284 PolarHBondContact N-O 3.36Å; N220-Y284 VanDerWaalsContact N-O 3.14Å; N220-M286 PolarHBondContact ND2-O 3.21Å; N220-M286 VanDerWaalsContact OD1-CB 3.31Å; N220-M286 WeakPolarHBondContact OD1-CB 3.28Å; N220-M286 PolarHBondContact OD1-N 3.4Å
221	S	91.3	Very high	95.7	Very high	75 Å²	75	48.9 Å²	48.9	52%	0.524	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-70.2	-13.8	179.5	62.6	0	0	0	0	115.1	R219	R219-S221 WeakPolarHBondContact CD-OG 3.27Å; R219-S221 WeakPolarHBondContact CG-OG 3.44Å; R219-S221 PolarHBondContact NE-OG 3.13Å; R219-S221 PolarHBondContact O-N 3.47Å; R219-S221 VanDerWaalsContact O-N 3.15Å
222	T	91.6	Very high	95.7	Very high	40 Å²	40	46.2 Å²	46.2	25%	0.245	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-108	13.9	173.7	64.3	0	0	0	0	112.5	R219 N220 Y224 R225	R219-T222 HydrophobicContact CG-CG2 3.78Å; R219-T222 PolarHBondContact N-OG1 3.5Å; R219-T222 VanDerWaalsContact N-OG1 3.1Å; R219-T222 CarbonylContact O-C 3.58Å; R219-T222 WeakPolarHBondContact O-CA 3.44Å; R219-T222 PolarHBondContact O-N 2.9Å; R219-T222 PolarHBondContact O-OG1 2.84Å; R219-T222 VanDerWaalsContact O-OG1 3.08Å; N220-T222 VanDerWaalsContact C-N 3.26Å; N220-T222 PolarHBondContact O-N 2.89Å; T222-Y224 PolarHBondContact O-N 3.49Å; T222-R225 WeakPolarHBondContact CB-O 3.38Å; T222-R225 PolarHBondContact O-N 2.9Å; T222-R225 PolarHBondContact OG1-O 3.42Å
223	G	94.8	Very high	95.6	Very high	52 Å²	52	46.2 Å²	46.2	54%	0.536	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	32.8	-174	0	0	0	0	0	112.6	R219 N220 R225	R219-G223 PolarHBondContact O-N 2.87Å; N220-G223 PolarHBondContact O-N 3.24Å; N220-G223 VanDerWaalsContact O-N 3.14Å; G223-R225 PolarHBondContact O-N 3.37Å
224	Y	95.7	Very high	95.6	Very high	86 Å²	86	45.6 Å²	45.6	34%	0.337	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	29.8	-177	-56.9	-72.2	0	0	0	114.8	E200 R219 N220 T222 K283	E200-Y224 VanDerWaalsContact OE1-CE1 3.26Å; E200-Y224 WeakPolarHBondContact OE1-CE1 3.48Å; E200-Y224 PolarHBondContact OE1-OH 3.33Å; R219-Y224 PolarHBondContact O-N 2.91Å; N220-Y224 HydrophobicContact CB-CE1 4.19Å; T222-Y224 PolarHBondContact O-N 3.49Å; Y224-K283 HydrophobicContact CD1-CB 3.9Å; Y224-K283 HydrophobicContact CD1-CD 3.85Å; Y224-K283 HydrophobicContact CD1-CG 3.8Å; Y224-K283 HydrophobicContact CE1-CB 4.25Å; Y224-K283 HydrophobicContact CE1-CD 4.45Å; Y224-K283 HydrophobicContact CG-CD 4.07Å; Y224-K283 HydrophobicContact CG-CG 4.33Å
225	R	95.3	Very high	95.6	Very high	195 Å²	195	45.6 Å²	45.6	74%	0.736	24%	0.238	S	C	*	.	S	Bend	trans	-111.3	153.7	173.2	-64	179.2	-178.4	179.8	-0.1	111.2	V217 T222 G223 R227	V217-R225 CarbonylContact O-C 3.6Å; T222-R225 WeakPolarHBondContact CB-O 3.38Å; T222-R225 PolarHBondContact O-N 2.9Å; T222-R225 PolarHBondContact OG1-O 3.42Å; G223-R225 PolarHBondContact O-N 3.37Å; R225-R227 PolarHBondContact O-N 2.03Å
226	L	95.8	Very high	95.6	Very high	55 Å²	55	45.7 Å²	45.7	29%	0.288	24%	0.238	S	C	.	.			trans	-62.4	131.6	173.4	-169.2	71.4	0	0	0	109.2	V217 Y228 Y231	V217-L226 WeakPolarHBondContact O-CA 3.23Å; V217-L226 WeakPolarHBondContact O-CB 3.45Å; V217-L226 PolarHBondContact O-N 2.82Å; L226-Y228 VanDerWaalsContact C-N 3.3Å; L226-Y228 VanDerWaalsContact CD2-O 3.28Å; L226-Y228 WeakPolarHBondContact CD2-O 3.44Å; L226-Y228 WeakPolarHBondContact CG-O 3.46Å; L226-Y228 PolarHBondContact O-N 3.11Å; L226-Y231 HydrophobicContact CD1-CD1 4Å
227	R	92.9	Very high	95.6	Very high	118 Å²	118	45.7 Å²	45.7	45%	0.445	24%	0.238	S	C	.	.	S	Bend	trans	-60.6	-41.4	-173	-163.8	-178.1	-173.6	-175.8	2	112.4	R225 Y231	R225-R227 PolarHBondContact O-N 2.03Å; R227-Y231 HydrophobicContact CB-CD1 4Å; R227-Y231 HydrophobicContact CB-CD2 4.3Å; R227-Y231 HydrophobicContact CB-CE1 4.44Å; R227-Y231 HydrophobicContact CB-CG 3.93Å
228	Y	95.6	Very high	95.8	Very high	86 Å²	86	45 Å²	45	34%	0.337	23%	0.234	S	C	.	.	S	Bend	trans	-164.3	163.1	171.6	52.9	-87.5	0	0	0	108.5	L226 G230 Y231 D261	L226-Y228 VanDerWaalsContact C-N 3.3Å; L226-Y228 VanDerWaalsContact CD2-O 3.28Å; L226-Y228 WeakPolarHBondContact CD2-O 3.44Å; L226-Y228 WeakPolarHBondContact CG-O 3.46Å; L226-Y228 PolarHBondContact O-N 3.11Å; Y228-G230 VanDerWaalsContact C-N 3.3Å; Y228-G230 PolarHBondContact O-N 2.89Å; Y228-Y231 VanDerWaalsContact CD2-N 3.35Å; Y228-Y231 AromaticContact CE1-CD2 3.69Å; Y228-Y231 HydrophobicContact CE1-CD2 3.69Å; Y228-Y231 HydrophobicContact CE1-CG 4.18Å; Y228-Y231 VanDerWaalsContact CE2-N 3.28Å; Y228-Y231 AromaticContact CZ-CD2 3.75Å; Y228-Y231 WeakPolarHBondContact O-CB 3.28Å; Y228-Y231 PolarHBondContact O-N 3.46Å; Y228-D261 WeakPolarHBondContact CE2-OD1 3.46Å; Y228-D261 VanDerWaalsContact OH-CG 3.23Å; Y228-D261 PolarHBondContact OH-OD1 3.35Å; Y228-D261 PolarHBondContact OH-OD2 2.91Å; Y228-D261 VanDerWaalsContact OH-OD2 3.09Å
229	S	93.9	Very high	96	Very high	110 Å²	110	45.6 Å²	45.6	77%	0.769	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-41.1	-172.8	54.9	0	0	0	0	114.1	Y231 R276	S229-Y231 VanDerWaalsContact C-N 3.3Å; S229-Y231 PolarHBondContact O-N 3.01Å; S229-R276 PolarHBondContact O-NH2 3.01Å
230	G	94.8	Very high	96.1	Very high	13 Å²	13	46.4 Å²	46.4	13%	0.134	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	8.7	177.5	0	0	0	0	0	115.3	Y228 F232 R264	Y228-G230 VanDerWaalsContact C-N 3.3Å; Y228-G230 PolarHBondContact O-N 2.89Å; G230-F232 PolarHBondContact O-N 2.97Å; G230-R264 WeakPolarHBondContact O-CD 3.34Å; G230-R264 PolarHBondContact O-NE 3.45Å
231	Y	97.1	Very high	96.3	Very high	12 Å²	12	49 Å²	49	5%	0.047	25%	0.251	C	S	.	.			trans	-68.7	126.7	-176.4	-176.4	-122.3	0	0	0	111	H214 L226 R227 Y228 S229 R276	H214-Y231 AromaticContact CE1-CD1 3.56Å; H214-Y231 PolarHBondContact CE1-O 3.4Å; H214-Y231 AromaticContact NE2-CD1 3.74Å; H214-Y231 AromaticContact NE2-CE1 3.87Å; L226-Y231 HydrophobicContact CD1-CD1 4Å; R227-Y231 HydrophobicContact CB-CD1 4Å; R227-Y231 HydrophobicContact CB-CD2 4.3Å; R227-Y231 HydrophobicContact CB-CE1 4.44Å; R227-Y231 HydrophobicContact CB-CG 3.93Å; Y228-Y231 VanDerWaalsContact CD2-N 3.35Å; Y228-Y231 AromaticContact CE1-CD2 3.69Å; Y228-Y231 HydrophobicContact CE1-CD2 3.69Å; Y228-Y231 HydrophobicContact CE1-CG 4.18Å; Y228-Y231 VanDerWaalsContact CE2-N 3.28Å; Y228-Y231 AromaticContact CZ-CD2 3.75Å; Y228-Y231 WeakPolarHBondContact O-CB 3.28Å; Y228-Y231 PolarHBondContact O-N 3.46Å; S229-Y231 VanDerWaalsContact C-N 3.3Å; S229-Y231 PolarHBondContact O-N 3.01Å; Y231-R276 PolarHBondContact O-NH2 3.44Å
232	F	98.1	Very high	96.7	Very high	2 Å²	2	46 Å²	46	1%	0.009	23%	0.229	C	C	.	.			trans	-136.4	24.4	-178.3	-162.3	-124.2	0	0	0	112.3	P212 H214 G230 T236 L238 L263 R264 V267 I274	P212-F232 HydrophobicContact CB-CZ 4.06Å; H214-F232 HydrophobicContact CB-CD2 3.69Å; H214-F232 HydrophobicContact CB-CE2 3.77Å; H214-F232 AromaticContact CD2-CD2 3.97Å; G230-F232 PolarHBondContact O-N 2.97Å; F232-T236 HydrophobicContact CD1-CG2 4.09Å; F232-T236 HydrophobicContact CD2-CG2 3.78Å; F232-T236 HydrophobicContact CE1-CG2 3.93Å; F232-T236 HydrophobicContact CE2-CG2 3.59Å; F232-T236 HydrophobicContact CG-CG2 4.02Å; F232-T236 HydrophobicContact CZ-CG2 3.67Å; F232-T236 VanDerWaalsContact O-CG2 3.25Å; F232-T236 WeakPolarHBondContact O-CG2 3.44Å; F232-L238 HydrophobicContact CE1-CD1 4.47Å; F232-L238 HydrophobicContact CZ-CD1 4.26Å; F232-L263 HydrophobicContact CD1-CB 4.47Å; F232-L263 HydrophobicContact CD1-CD2 4.17Å; F232-L263 HydrophobicContact CD1-CG 4.26Å; F232-L263 HydrophobicContact CE1-CD2 3.69Å; F232-L263 HydrophobicContact CE1-CG 3.93Å; F232-R264 HydrophobicContact CB-CB 3.86Å; F232-R264 HydrophobicContact CD1-CB 4.03Å; F232-R264 HydrophobicContact CG-CB 4.14Å; F232-V267 HydrophobicContact CE1-CG2 4.48Å; F232-I274 HydrophobicContact CB-CD1 4.41Å; F232-I274 HydrophobicContact CD1-CD1 4.47Å; F232-I274 HydrophobicContact CD2-CD1 3.49Å; F232-I274 VanDerWaalsContact CD2-CD1 3.49Å; F232-I274 HydrophobicContact CD2-CG1 3.99Å; F232-I274 HydrophobicContact CD2-CG2 3.89Å; F232-I274 HydrophobicContact CE2-CB 4.4Å; F232-I274 HydrophobicContact CE2-CD1 3.79Å; F232-I274 HydrophobicContact CE2-CG1 3.77Å; F232-I274 HydrophobicContact CE2-CG2 3.75Å; F232-I274 HydrophobicContact CG-CD1 3.89Å; F232-I274 HydrophobicContact CZ-CD1 4.39Å; F232-I274 HydrophobicContact CZ-CG1 4.32Å
233	G	97.1	Very high	97.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.			trans	-98.7	-178.8	-178.2	0	0	0	0	0	113.7	H214 V235 D260	H214-G233 PolarHBondContact NE2-O 3.46Å; G233-V235 PolarHBondContact O-N 2.97Å; G233-D260 WeakPolarHBondContact CA-OD2 3.43Å
234	G	98	Very high	97.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	82.1	-92.9	179.9	0	0	0	0	0	112.4	D194	D194-G234 VanDerWaalsContact CG-O 3.31Å; D194-G234 PolarHBondContact N-O 3Å; D194-G234 VanDerWaalsContact N-O 3.09Å; D194-G234 WeakPolarHBondContact OD2-CA 3.42Å
235	V	98.8	Very high	97.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.2	-178.5	-165.3	0	0	0	0	111.1	I191 F192 H193 L197 Y206 L215 V216 G233 Y284	I191-V235 HydrophobicContact CG2-CG1 3.63Å; F192-V235 VanDerWaalsContact O-CA 3.26Å; F192-V235 WeakPolarHBondContact O-CA 3.45Å; H193-V235 HydrophobicContact CB-CG1 4.19Å; H193-V235 WeakPolarHBondContact CD2-CG1 3.31Å; L197-V235 HydrophobicContact CB-CG2 4.17Å; L197-V235 HydrophobicContact CD1-CG2 4.15Å; Y206-V235 HydrophobicContact CE1-CG1 4.49Å; L215-V235 HydrophobicContact CB-CB 4.18Å; L215-V235 HydrophobicContact CB-CG1 4.18Å; L215-V235 HydrophobicContact CD1-CG1 3.67Å; L215-V235 PolarHBondContact N-O 2.82Å; V216-V235 HydrophobicContact CG2-CB 3.66Å; V216-V235 HydrophobicContact CG2-CG2 3.75Å; V216-V235 VanDerWaalsContact CG2-N 3.3Å; G233-V235 PolarHBondContact O-N 2.97Å; V235-Y284 HydrophobicContact CB-CE1 4.37Å; V235-Y284 HydrophobicContact CG2-CD1 4.39Å; V235-Y284 HydrophobicContact CG2-CE1 3.75Å
236	T	98.8	Very high	97.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.3	179.7	53.2	0	0	0	0	111.7	I191 F192 K213 F232	I191-T236 CarbonylContact C-O 3.58Å; I191-T236 WeakPolarHBondContact CA-O 3.07Å; F192-T236 PolarHBondContact N-O 2.9Å; F192-T236 PolarHBondContact O-N 2.8Å; K213-T236 CarbonylContact O-C 3.54Å; K213-T236 VanDerWaalsContact O-CA 3.26Å; K213-T236 WeakPolarHBondContact O-CA 3.47Å; F232-T236 HydrophobicContact CD1-CG2 4.09Å; F232-T236 HydrophobicContact CD2-CG2 3.78Å; F232-T236 HydrophobicContact CE1-CG2 3.93Å; F232-T236 HydrophobicContact CE2-CG2 3.59Å; F232-T236 HydrophobicContact CG-CG2 4.02Å; F232-T236 HydrophobicContact CZ-CG2 3.67Å; F232-T236 VanDerWaalsContact O-CG2 3.25Å; F232-T236 WeakPolarHBondContact O-CG2 3.44Å
237	A	98.8	Very high	97.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.3	174.7	0	0	0	0	0	110.4	F190 I191 P212 K213 L215	F190-A237 WeakPolarHBondContact O-CA 3.48Å; I191-A237 HydrophobicContact CD1-CB 3.33Å; P212-A237 WeakPolarHBondContact CA-O 3.33Å; K213-A237 HydrophobicContact CB-CB 4.08Å; K213-A237 PolarHBondContact N-O 2.84Å; K213-A237 PolarHBondContact O-N 2.8Å; L215-A237 HydrophobicContact CD1-CB 4.26Å
238	L	98.9	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.2	170	-69.4	87.2	0	0	0	109.1	F190 F192 C208 P212 F232 Q242 F243 L263 V267	F190-L238 PolarHBondContact N-O 3.43Å; F190-L238 PolarHBondContact O-N 2.98Å; F192-L238 HydrophobicContact CD2-CD1 3.99Å; F192-L238 HydrophobicContact CE2-CB 4.13Å; F192-L238 HydrophobicContact CE2-CD1 3.79Å; C208-L238 PolarHBondContact SG-O 3.38Å; P212-L238 HydrophobicContact CB-CD1 4.49Å; P212-L238 HydrophobicContact CB-CD2 4.17Å; P212-L238 HydrophobicContact CB-CG 3.9Å; P212-L238 HydrophobicContact CG-CD2 4Å; P212-L238 HydrophobicContact CG-CG 4.1Å; F232-L238 HydrophobicContact CE1-CD1 4.47Å; F232-L238 HydrophobicContact CZ-CD1 4.26Å; L238-Q242 HydrophobicContact CB-CB 4.07Å; L238-Q242 HydrophobicContact CD2-CB 4.3Å; L238-F243 HydrophobicContact CB-CB 4.06Å; L238-F243 HydrophobicContact CD2-CD2 4.29Å; L238-L263 HydrophobicContact CD1-CD2 4.21Å; L238-V267 HydrophobicContact CD2-CG2 4.11Å
239	S	98.9	Very high	98.1	Very high	17 Å²	17	28.9 Å²	28.9	12%	0.119	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	162.6	170.8	86.6	0	0	0	0	109.8	C208 E241 Q242 F243	C208-S239 PolarHBondContact SG-N 3.03Å; S239-E241 WeakPolarHBondContact CB-OE2 3.5Å; S239-E241 PolarHBondContact O-N 3.02Å; S239-E241 PolarHBondContact OG-N 2.65Å; S239-E241 PolarHBondContact OG-OE2 3.46Å; S239-Q242 PolarHBondContact O-N 2.7Å; S239-Q242 WeakPolarHBondContact OG-CG 3.43Å; S239-Q242 PolarHBondContact OG-N 2.99Å; S239-Q242 VanDerWaalsContact OG-N 3.1Å; S239-F243 PolarHBondContact O-N 3.01Å
240	R	98.7	Very high	98.4	Very high	48 Å²	48	23.7 Å²	23.7	18%	0.181	11%	0.111	C	C	.	.	H	α-helix	trans	-50.3	-47.2	173.9	-171	-170.2	-54.8	166.8	8.8	112	Y178 L182 N186 W187 D188 F190 F244	Y178-R240 HydrophobicContact CE2-CG 4.27Å; Y178-R240 VanDerWaalsContact OH-CG 3.27Å; Y178-R240 WeakPolarHBondContact OH-CG 3.49Å; Y178-R240 PolarHBondContact OH-O 3.46Å; L182-R240 HydrophobicContact CD2-CG 4.37Å; N186-R240 VanDerWaalsContact CG-NH2 3.26Å; N186-R240 PolarHBondContact O-NH2 3.25Å; N186-R240 PolarHBondContact OD1-NH1 3.28Å; N186-R240 PolarHBondContact OD1-NH2 2.93Å; W187-R240 PolarHBondContact O-NE 2.92Å; W187-R240 PolarHBondContact O-NH2 2.94Å; D188-R240 PolarHBondContact O-N 3.25Å; F190-R240 HydrophobicContact CD2-CB 4.46Å; F190-R240 HydrophobicContact CE2-CB 3.86Å; F190-R240 HydrophobicContact CE2-CG 4Å; R240-F244 VanDerWaalsContact O-CB 3.29Å; R240-F244 WeakPolarHBondContact O-CB 3.1Å; R240-F244 PolarHBondContact O-N 2.94Å
241	E	98.7	Very high	98.5	Very high	117 Å²	117	23.4 Å²	23.4	55%	0.547	11%	0.106	S	C	.	.	H	α-helix	trans	-69.3	-41.7	-177.3	-58.1	72.4	-154.9	0	0	111.2	S239 K245	S239-E241 WeakPolarHBondContact CB-OE2 3.5Å; S239-E241 PolarHBondContact O-N 3.02Å; S239-E241 PolarHBondContact OG-N 2.65Å; S239-E241 PolarHBondContact OG-OE2 3.46Å; E241-K245 WeakPolarHBondContact O-CB 3.22Å; E241-K245 PolarHBondContact O-N 3.06Å
242	Q	98.9	Very high	98.6	Very high	14 Å²	14	26.6 Å²	26.6	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-47.5	178.1	-73.2	167	-5.7	0	0	111	E209 E210 P212 L238 S239 K245 V246 M272	E209-Q242 PolarHBondContact O-NE2 3.12Å; E210-Q242 PolarHBondContact O-NE2 3.14Å; P212-Q242 HydrophobicContact CG-CB 4.49Å; P212-Q242 HydrophobicContact CG-CG 4.46Å; L238-Q242 HydrophobicContact CB-CB 4.07Å; L238-Q242 HydrophobicContact CD2-CB 4.3Å; S239-Q242 PolarHBondContact O-N 2.7Å; S239-Q242 WeakPolarHBondContact OG-CG 3.43Å; S239-Q242 PolarHBondContact OG-N 2.99Å; S239-Q242 VanDerWaalsContact OG-N 3.1Å; Q242-K245 PolarHBondContact O-N 3.39Å; Q242-V246 PolarHBondContact O-N 3.14Å; Q242-M272 HydrophobicContact CB-SD 4.25Å; Q242-M272 HydrophobicContact CG-SD 3.88Å
243	F	98.9	Very high	98.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69	-41.2	-179.2	-168.1	-108.6	0	0	0	112.3	N175 Y178 F192 L238 S239 K245 V246 G248 F249 L317	N175-F243 VanDerWaalsContact OD1-CZ 3.3Å; N175-F243 WeakPolarHBondContact OD1-CZ 3.38Å; Y178-F243 AromaticContact CD1-CD1 3.94Å; Y178-F243 HydrophobicContact CD1-CD1 3.94Å; Y178-F243 HydrophobicContact CD1-CE1 4.01Å; Y178-F243 HydrophobicContact CD2-CB 4.47Å; Y178-F243 AromaticContact CD2-CD1 3.31Å; Y178-F243 HydrophobicContact CD2-CD1 3.31Å; Y178-F243 AromaticContact CD2-CE1 3.78Å; Y178-F243 HydrophobicContact CD2-CE1 3.78Å; Y178-F243 HydrophobicContact CD2-CG 4.19Å; Y178-F243 HydrophobicContact CE1-CD1 4.12Å; Y178-F243 HydrophobicContact CE2-CB 4.05Å; Y178-F243 AromaticContact CE2-CD1 3.51Å; Y178-F243 HydrophobicContact CE2-CD1 3.51Å; Y178-F243 HydrophobicContact CE2-CE1 4.38Å; Y178-F243 HydrophobicContact CE2-CG 4.2Å; Y178-F243 AromaticContact CG-CD1 3.53Å; Y178-F243 HydrophobicContact CG-CD1 3.53Å; Y178-F243 AromaticContact CG-CE1 3.56Å; Y178-F243 HydrophobicContact CG-CE1 3.56Å; Y178-F243 AromaticContact CZ-CD1 3.91Å; F192-F243 HydrophobicContact CE1-CD2 4.15Å; F192-F243 HydrophobicContact CE1-CE1 4.12Å; F192-F243 AromaticContact CE1-CE2 3.65Å; F192-F243 HydrophobicContact CE1-CE2 3.65Å; F192-F243 AromaticContact CE1-CZ 3.62Å; F192-F243 HydrophobicContact CE1-CZ 3.62Å; F192-F243 AromaticContact CE2-CD2 3.71Å; F192-F243 HydrophobicContact CE2-CD2 3.71Å; F192-F243 AromaticContact CE2-CE2 3.9Å; F192-F243 HydrophobicContact CE2-CE2 3.9Å; F192-F243 HydrophobicContact CE2-CG 4.32Å; F192-F243 HydrophobicContact CZ-CB 4.44Å; F192-F243 HydrophobicContact CZ-CD1 4.01Å; F192-F243 AromaticContact CZ-CD2 3.28Å; F192-F243 HydrophobicContact CZ-CD2 3.28Å; F192-F243 AromaticContact CZ-CE1 3.96Å; F192-F243 HydrophobicContact CZ-CE1 3.96Å; F192-F243 AromaticContact CZ-CE2 3.26Å; F192-F243 HydrophobicContact CZ-CE2 3.26Å; F192-F243 AromaticContact CZ-CG 3.66Å; F192-F243 HydrophobicContact CZ-CG 3.66Å; F192-F243 AromaticContact CZ-CZ 3.6Å; F192-F243 HydrophobicContact CZ-CZ 3.6Å; L238-F243 HydrophobicContact CB-CB 4.06Å; L238-F243 HydrophobicContact CD2-CD2 4.29Å; S239-F243 PolarHBondContact O-N 3.01Å; F243-K245 PolarHBondContact O-N 3.32Å; F243-V246 VanDerWaalsContact O-CG2 3.27Å; F243-V246 WeakPolarHBondContact O-CG2 3.32Å; F243-V246 PolarHBondContact O-N 3.04Å; F243-G248 PolarHBondContact O-N 3.19Å; F243-F249 AromaticContact CE2-CD2 3.57Å; F243-F249 HydrophobicContact CE2-CD2 3.57Å; F243-F249 AromaticContact CE2-CE2 3.66Å; F243-F249 HydrophobicContact CE2-CE2 3.66Å; F243-F249 HydrophobicContact CE2-CG 4.44Å; F243-F249 AromaticContact CZ-CD2 3.62Å; F243-F249 HydrophobicContact CZ-CD2 3.62Å; F243-F249 HydrophobicContact CZ-CE2 4.03Å; F243-L317 HydrophobicContact CD1-CD1 3.93Å; F243-L317 HydrophobicContact CE1-CD1 4.01Å; F243-L317 HydrophobicContact CE1-CD2 3.94Å; F243-L317 HydrophobicContact CE1-CG 4.22Å
244	F	98.8	Very high	98.6	Very high	137 Å²	137	29.7 Å²	29.7	60%	0.601	14%	0.136	S	C	*	.	H	α-helix	trans	-60.5	-45.3	173.9	-178.6	-100.4	0	0	0	111.8	R240 V246 N247	R240-F244 VanDerWaalsContact O-CB 3.29Å; R240-F244 WeakPolarHBondContact O-CB 3.1Å; R240-F244 PolarHBondContact O-N 2.94Å; F244-V246 VanDerWaalsContact C-N 3.27Å; F244-V246 PolarHBondContact O-N 2.65Å; F244-N247 WeakPolarHBondContact O-CA 3.36Å; F244-N247 PolarHBondContact O-N 2.81Å
245	K	98.7	Very high	98.5	Very high	115 Å²	115	30 Å²	30	50%	0.5	14%	0.139	S	C	.	.	H	α-helix	trans	-59.7	-35.3	-177.6	-178.2	175.4	-176.2	179.6	0	112.8	E241 Q242 F243 N247 H270	E241-K245 WeakPolarHBondContact O-CB 3.22Å; E241-K245 PolarHBondContact O-N 3.06Å; Q242-K245 PolarHBondContact O-N 3.39Å; F243-K245 PolarHBondContact O-N 3.32Å; K245-N247 VanDerWaalsContact C-N 3.26Å; K245-N247 PolarHBondContact O-N 2.82Å; K245-H270 PolarHBondContact O-NE2 3.15Å
246	V	98.8	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	5.9	177.3	-58.4	0	0	0	0	113.5	Q242 F243 F244 G248 L263 R266 V267 M272	Q242-V246 PolarHBondContact O-N 3.14Å; F243-V246 VanDerWaalsContact O-CG2 3.27Å; F243-V246 WeakPolarHBondContact O-CG2 3.32Å; F243-V246 PolarHBondContact O-N 3.04Å; F244-V246 VanDerWaalsContact C-N 3.27Å; F244-V246 PolarHBondContact O-N 2.65Å; V246-G248 PolarHBondContact O-N 2.98Å; V246-L263 HydrophobicContact CG2-CD1 3.89Å; V246-R266 HydrophobicContact CB-CB 3.9Å; V246-R266 HydrophobicContact CG1-CB 4.33Å; V246-R266 WeakPolarHBondContact O-CD 3.07Å; V246-V267 HydrophobicContact CG1-CG2 4.16Å; V246-M272 HydrophobicContact CG1-CE 3.4Å; V246-M272 VanDerWaalsContact CG1-CE 3.4Å
247	N	98.9	Very high	98.2	Very high	18 Å²	18	35.1 Å²	35.1	10%	0.096	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	33.2	-172.4	-164	25.9	0	0	0	112.8	F244 K245 R266 W312 R313 G316 L317 S318	F244-N247 WeakPolarHBondContact O-CA 3.36Å; F244-N247 PolarHBondContact O-N 2.81Å; K245-N247 VanDerWaalsContact C-N 3.26Å; K245-N247 PolarHBondContact O-N 2.82Å; N247-R266 PolarHBondContact O-NH1 3.45Å; N247-W312 HydrophobicContact CB-CE3 4.21Å; N247-W312 HydrophobicContact CB-CZ3 4.4Å; N247-W312 PolarHBondContact ND2-O 3.32Å; N247-R313 PolarHBondContact ND2-O 2.95Å; N247-G316 CarbonylContact O-C 3.6Å; N247-G316 WeakPolarHBondContact O-CA 3.35Å; N247-L317 PolarHBondContact O-N 3.07Å; N247-L317 PolarHBondContact OD1-N 3.07Å; N247-L317 VanDerWaalsContact OD1-N 3.12Å; N247-S318 PolarHBondContact ND2-OG 3.36Å; N247-S318 PolarHBondContact OD1-N 3.25Å; N247-S318 PolarHBondContact OD1-OG 3.47Å
248	G	98.8	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	55.3	-155	-176	0	0	0	0	0	114.9	F243 V246 R266	F243-G248 PolarHBondContact O-N 3.19Å; V246-G248 PolarHBondContact O-N 2.98Å; G248-R266 VanDerWaalsContact O-CD 3.3Å; G248-R266 WeakPolarHBondContact O-CD 3.46Å; G248-R266 PolarHBondContact O-NH1 3Å
249	F	98.9	Very high	98.1	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	17%	0.167	C	C	.	.	S	Bend	trans	-77.5	159.5	177.4	-73.5	-81.5	0	0	0	112.6	A171 L174 N175 F192 F243 L263 G316	A171-F249 HydrophobicContact CB-CB 3.84Å; A171-F249 HydrophobicContact CB-CD1 4.29Å; A171-F249 HydrophobicContact CB-CG 4.21Å; L174-F249 HydrophobicContact CB-CD2 3.79Å; L174-F249 HydrophobicContact CB-CE2 3.75Å; L174-F249 HydrophobicContact CD1-CD2 4.24Å; L174-F249 HydrophobicContact CD1-CE2 3.59Å; L174-F249 HydrophobicContact CD1-CZ 3.76Å; L174-F249 HydrophobicContact CG-CE2 4.32Å; N175-F249 PolarHBondContact ND2-O 3.03Å; N175-F249 PolarHBondContact OD1-N 3.15Å; F192-F249 HydrophobicContact CB-CE2 4.42Å; F192-F249 HydrophobicContact CB-CZ 4.41Å; F192-F249 AromaticContact CD1-CE2 3.64Å; F192-F249 HydrophobicContact CD1-CE2 3.64Å; F192-F249 HydrophobicContact CD1-CZ 4.41Å; F192-F249 HydrophobicContact CD2-CE2 4.38Å; F192-F249 AromaticContact CE1-CE2 3.92Å; F192-F249 HydrophobicContact CE1-CE2 3.92Å; F192-F249 AromaticContact CG-CE2 3.87Å; F192-F249 HydrophobicContact CG-CE2 3.87Å; F192-F249 HydrophobicContact CG-CZ 4.22Å; F192-F249 HydrophobicContact CZ-CE2 4.44Å; F243-F249 AromaticContact CE2-CD2 3.57Å; F243-F249 HydrophobicContact CE2-CD2 3.57Å; F243-F249 AromaticContact CE2-CE2 3.66Å; F243-F249 HydrophobicContact CE2-CE2 3.66Å; F243-F249 HydrophobicContact CE2-CG 4.44Å; F243-F249 AromaticContact CZ-CD2 3.62Å; F243-F249 HydrophobicContact CZ-CD2 3.62Å; F243-F249 HydrophobicContact CZ-CE2 4.03Å; F249-L263 HydrophobicContact CD1-CB 3.74Å; F249-L263 HydrophobicContact CD1-CD1 4.41Å; F249-L263 HydrophobicContact CD1-CD2 3.94Å; F249-L263 HydrophobicContact CD1-CG 4.22Å; F249-L263 HydrophobicContact CE1-CB 3.65Å; F249-L263 HydrophobicContact CE1-CD2 3.25Å; F249-L263 HydrophobicContact CE1-CG 3.94Å; F249-L263 HydrophobicContact CE2-CD2 4.04Å; F249-L263 HydrophobicContact CZ-CD2 3.3Å; F249-L263 HydrophobicContact CZ-CG 4.4Å; F249-G316 WeakPolarHBondContact O-CA 3.25Å
250	S	98.6	Very high	98.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	17%	0.167	C	C	.	.			trans	-64.4	140.2	164.9	170.5	0	0	0	0	111.3	A171 N252 Y253 D262 R266 D315	A171-S250 VanDerWaalsContact CB-O 3.24Å; A171-S250 WeakPolarHBondContact CB-O 3.35Å; S250-N252 VanDerWaalsContact C-N 3.33Å; S250-N252 PolarHBondContact OG-N 2.81Å; S250-N252 VanDerWaalsContact OG-N 3.09Å; S250-Y253 WeakPolarHBondContact OG-CD2 3.29Å; S250-D262 WeakPolarHBondContact CB-OD2 3.28Å; S250-R266 VanDerWaalsContact CA-NH2 3.28Å; S250-R266 VanDerWaalsContact CB-NH2 3.32Å; S250-D315 WeakPolarHBondContact CB-OD2 3.48Å; S250-D315 PolarHBondContact OG-OD2 3.19Å
251	N	98.6	Very high	98.1	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	17%	0.165	C	C	.	.	S	Bend	trans	-86.6	-1.9	174.5	-61.2	-51	0	0	0	113.2	N169 K172 N175 D315 G316 S319 C320	N169-N251 PolarHBondContact ND2-O 3.49Å; K172-N251 HydrophobicContact CD-CB 4.11Å; K172-N251 HydrophobicContact CG-CB 4.2Å; N175-N251 PolarHBondContact ND2-OD1 2.83Å; N251-D315 WeakPolarHBondContact CB-OD1 3.26Å; N251-D315 PolarHBondContact N-OD1 2.74Å; N251-G316 PolarHBondContact ND2-O 2.85Å; N251-S319 PolarHBondContact ND2-O 2.86Å; N251-C320 PolarHBondContact ND2-N 2.77Å; N251-C320 PolarHBondContact OD1-SG 2.74Å; N251-C320 VanDerWaalsContact OD1-SG 3.37Å
252	N	97.8	Very high	98.1	Very high	79 Å²	79	29.9 Å²	29.9	42%	0.422	14%	0.14	S	C	.	.			trans	-100.5	-0.7	-166.3	-70.9	-44.1	0	0	0	114.9	S250 W254 L304 D315	S250-N252 VanDerWaalsContact C-N 3.33Å; S250-N252 PolarHBondContact OG-N 2.81Å; S250-N252 VanDerWaalsContact OG-N 3.09Å; N252-W254 PolarHBondContact O-N 3.38Å; N252-W254 VanDerWaalsContact O-N 3.14Å; N252-L304 HydrophobicContact CB-CD2 4.19Å; N252-D315 PolarHBondContact ND2-OD1 2.92Å; N252-D315 PolarHBondContact ND2-OD2 3.2Å
253	Y	98.1	Very high	98.1	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.012	14%	0.137	C	C	.	.			trans	-84.5	87.8	178.9	-74.4	-97.7	0	0	0	111.6	N169 S250 G257 G258 E259 D262 R301 L304 L305	N169-Y253 VanDerWaalsContact CG-O 3.26Å; N169-Y253 PolarHBondContact OD1-O 3.48Å; S250-Y253 WeakPolarHBondContact OG-CD2 3.29Å; Y253-G257 WeakPolarHBondContact CD1-O 3.14Å; Y253-G258 WeakPolarHBondContact CE1-O 3.48Å; Y253-E259 HydrophobicContact CD1-CB 4Å; Y253-E259 HydrophobicContact CD2-CB 4.03Å; Y253-E259 HydrophobicContact CG-CB 3.65Å; Y253-D262 HydrophobicContact CE2-CB 3.92Å; Y253-D262 WeakPolarHBondContact CE2-OD2 3.26Å; Y253-R301 HydrophobicContact CD1-CB 4.5Å; Y253-R301 HydrophobicContact CE1-CB 4.2Å; Y253-L304 HydrophobicContact CD1-CD1 4.03Å; Y253-L304 HydrophobicContact CD2-CD1 4.19Å; Y253-L304 HydrophobicContact CE1-CB 4.01Å; Y253-L304 HydrophobicContact CE1-CD1 3.99Å; Y253-L304 HydrophobicContact CE2-CB 4.01Å; Y253-L304 HydrophobicContact CE2-CD1 4.14Å; Y253-L304 HydrophobicContact CG-CD1 4.14Å; Y253-L304 WeakPolarHBondContact OH-CB 3.25Å; Y253-L305 WeakPolarHBondContact OH-CD2 3.31Å; Y253-L305 WeakPolarHBondContact OH-CG 3.4Å; Y253-L305 PolarHBondContact OH-N 3.21Å
254	W	97.4	Very high	98.1	Very high	65 Å²	65	31.3 Å²	31.3	25%	0.246	15%	0.145	C	C	.	.			trans	-93.1	114.1	175.7	-63.7	98.6	0	0	0	111.8	K167 N169 K172 N252 N298 F340 W341	K167-W254 HydrophobicContact CB-CB 4.22Å; K167-W254 HydrophobicContact CB-CE3 4.27Å; K167-W254 HydrophobicContact CD-CB 4.2Å; N169-W254 HydrophobicContact CB-CD2 4.12Å; N169-W254 HydrophobicContact CB-CE3 3.49Å; N169-W254 VanDerWaalsContact CB-CE3 3.49Å; N169-W254 HydrophobicContact CB-CH2 3.95Å; N169-W254 HydrophobicContact CB-CZ3 3.34Å; N169-W254 WeakPolarHBondContact ND2-CZ2 3.43Å; K172-W254 HydrophobicContact CD-CH2 4.29Å; K172-W254 HydrophobicContact CD-CZ2 4.3Å; N252-W254 PolarHBondContact O-N 3.38Å; N252-W254 VanDerWaalsContact O-N 3.14Å; W254-N298 WeakPolarHBondContact O-CB 3.31Å; W254-F340 HydrophobicContact CH2-CB 3.84Å; W254-F340 AromaticContact CH2-CD2 3.66Å; W254-F340 HydrophobicContact CH2-CD2 3.66Å; W254-F340 HydrophobicContact CH2-CG 4.01Å; W254-F340 HydrophobicContact CZ3-CD2 4.02Å; W254-W341 HydrophobicContact CE3-CH2 4.39Å; W254-W341 AromaticContact CE3-CZ2 3.87Å; W254-W341 HydrophobicContact CE3-CZ2 3.87Å; W254-W341 AromaticContact CH2-CH2 3.85Å; W254-W341 HydrophobicContact CH2-CH2 3.85Å; W254-W341 AromaticContact CH2-CZ2 3.48Å; W254-W341 HydrophobicContact CH2-CZ2 3.48Å; W254-W341 VanDerWaalsContact CH2-CZ2 3.48Å; W254-W341 HydrophobicContact CZ2-CZ2 4.47Å; W254-W341 AromaticContact CZ3-CH2 3.41Å; W254-W341 HydrophobicContact CZ3-CH2 3.41Å; W254-W341 VanDerWaalsContact CZ3-CH2 3.41Å; W254-W341 AromaticContact CZ3-CZ2 3.12Å; W254-W341 HydrophobicContact CZ3-CZ2 3.12Å
255	G	96.4	Very high	98.1	Very high	6 Å²	6	27.2 Å²	27.2	6%	0.062	13%	0.128	C	C	.	.	S	Bend	trans	93	-163.9	-170.4	0	0	0	0	0	112	F168 E296	F168-G255 PolarHBondContact O-N 3.36Å; G255-E296 CarbonylContact C-O 3.35Å; G255-E296 WeakPolarHBondContact CA-O 3.22Å
256	W	95.9	Very high	98.1	Very high	101 Å²	101	21.7 Å²	21.7	38%	0.383	11%	0.105	S	C	.	.	B	Isolated β-bridge	trans	-86.1	129.8	-170.1	-178.7	86.3	0	0	0	113.2	N295 E296 V297 N298	W256-N295 WeakPolarHBondContact CB-O 3.44Å; W256-N295 PolarHBondContact N-OD1 2.83Å; W256-E296 PolarHBondContact N-O 2.85Å; W256-V297 HydrophobicContact CE3-CG1 4.46Å; W256-V297 HydrophobicContact CE3-CG2 3.98Å; W256-V297 HydrophobicContact CZ3-CG2 4.46Å; W256-N298 PolarHBondContact O-N 3.34Å
257	G	95.6	Very high	98.1	Very high	7 Å²	7	21.7 Å²	21.7	7%	0.072	11%	0.105	C	C	.	.	S	Bend	trans	103.4	142.9	153.7	0	0	0	0	0	116	Y253 E259 R301	Y253-G257 WeakPolarHBondContact CD1-O 3.14Å; G257-E259 VanDerWaalsContact C-OE2 3.31Å; G257-R301 WeakPolarHBondContact O-CB 3.23Å
258	G	97.4	Very high	98	Very high	8 Å²	8	25 Å²	25	8%	0.082	12%	0.119	C	C	.	.	S	Bend	trans	95	-11.4	170.7	0	0	0	0	0	114.8	Y253 D260 D261 D262 L305	Y253-G258 WeakPolarHBondContact CE1-O 3.48Å; G258-D260 VanDerWaalsContact C-N 3.34Å; G258-D261 PolarHBondContact O-N 3.41Å; G258-D262 PolarHBondContact O-N 3.22Å; G258-L305 WeakPolarHBondContact O-CD2 3.32Å
259	E	98.6	Very high	98	Very high	15 Å²	15	29 Å²	29	7%	0.07	14%	0.141	C	C	.	.	H	α-helix	trans	-68.8	-33.9	178.1	81	-73	-165.1	0	0	112.5	R170 A171 Y253 G257 D262 L263	R170-E259 WeakPolarHBondContact CD-OE1 3.37Å; R170-E259 IonicContact CZ-OE1 3.59Å; R170-E259 IonicContact NE-OE1 3.67Å; R170-E259 IonicContact NH1-OE1 3.48Å; R170-E259 PolarHBondContact NH1-OE1 2.71Å; A171-E259 HydrophobicContact CB-CB 3.73Å; A171-E259 HydrophobicContact CB-CG 3.85Å; Y253-E259 HydrophobicContact CD1-CB 4Å; Y253-E259 HydrophobicContact CD2-CB 4.03Å; Y253-E259 HydrophobicContact CG-CB 3.65Å; G257-E259 VanDerWaalsContact C-OE2 3.31Å; E259-D262 WeakPolarHBondContact O-CB 3.48Å; E259-D262 PolarHBondContact O-N 2.03Å; E259-L263 PolarHBondContact O-N 2.98Å
260	D	98.3	Very high	98	Very high	21 Å²	21	30.8 Å²	30.8	11%	0.112	15%	0.149	C	C	.	.	H	α-helix	trans	-69.5	-41	177.2	-56.1	-33.8	0	0	0	111.4	R170 G233 G258 D262 L263 R264	R170-D260 IonicContact CZ-OD1 3.79Å; R170-D260 IonicContact NH1-OD1 2.84Å; R170-D260 PolarHBondContact NH1-OD1 3.34Å; R170-D260 IonicContact NH2-OD1 3.81Å; G233-D260 WeakPolarHBondContact CA-OD2 3.43Å; G258-D260 VanDerWaalsContact C-N 3.34Å; D260-D262 VanDerWaalsContact C-N 3.33Å; D260-L263 PolarHBondContact O-N 3.23Å; D260-R264 PolarHBondContact O-N 2.77Å
261	D	98.5	Very high	97.9	Very high	28 Å²	28	41.7 Å²	41.7	15%	0.15	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-36.8	176.7	-68	-48.9	0	0	0	110.7	Y228 G258 R264 L265 L305	Y228-D261 WeakPolarHBondContact CE2-OD1 3.46Å; Y228-D261 VanDerWaalsContact OH-CG 3.23Å; Y228-D261 PolarHBondContact OH-OD1 3.35Å; Y228-D261 PolarHBondContact OH-OD2 2.91Å; Y228-D261 VanDerWaalsContact OH-OD2 3.09Å; G258-D261 PolarHBondContact O-N 3.41Å; D261-R264 PolarHBondContact O-N 2.99Å; D261-L265 VanDerWaalsContact O-CG 3.31Å; D261-L265 WeakPolarHBondContact O-CG 3.18Å; D261-L265 PolarHBondContact O-N 3.23Å; D261-L305 HydrophobicContact CB-CD1 4.21Å; D261-L305 HydrophobicContact CB-CD2 3.68Å
262	D	98.8	Very high	97.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-53	171.4	-177.6	-39.4	0	0	0	110.2	S250 Y253 G258 E259 D260 R264 L265 R266 L305 V308	S250-D262 WeakPolarHBondContact CB-OD2 3.28Å; Y253-D262 HydrophobicContact CE2-CB 3.92Å; Y253-D262 WeakPolarHBondContact CE2-OD2 3.26Å; G258-D262 PolarHBondContact O-N 3.22Å; E259-D262 WeakPolarHBondContact O-CB 3.48Å; E259-D262 PolarHBondContact O-N 2.03Å; D260-D262 VanDerWaalsContact C-N 3.33Å; D262-R264 VanDerWaalsContact C-N 3.27Å; D262-R264 PolarHBondContact O-N 3.36Å; D262-L265 WeakPolarHBondContact O-CA 3.11Å; D262-L265 WeakPolarHBondContact O-CB 3.4Å; D262-L265 PolarHBondContact O-N 3.05Å; D262-R266 WeakPolarHBondContact O-CG 3.38Å; D262-R266 PolarHBondContact O-N 3.46Å; D262-R266 IonicContact OD1-CZ 3.64Å; D262-R266 IonicContact OD1-NE 3.82Å; D262-R266 PolarHBondContact OD1-NE 2.92Å; D262-R266 IonicContact OD1-NH2 3.81Å; D262-R266 PolarHBondContact OD1-NH2 2.86Å; D262-R266 IonicContact OD2-NH2 3.7Å; D262-L305 HydrophobicContact CB-CD2 4.07Å; D262-V308 HydrophobicContact CB-CG2 4.01Å; D262-V308 VanDerWaalsContact CG-CG2 3.44Å; D262-V308 WeakPolarHBondContact OD2-CG2 3.37Å
263	L	98.8	Very high	97.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-56.3	-42.7	178.2	-179.4	65.4	0	0	0	111.7	F232 L238 V246 F249 E259 D260 L265 R266 V267	F232-L263 HydrophobicContact CD1-CB 4.47Å; F232-L263 HydrophobicContact CD1-CD2 4.17Å; F232-L263 HydrophobicContact CD1-CG 4.26Å; F232-L263 HydrophobicContact CE1-CD2 3.69Å; F232-L263 HydrophobicContact CE1-CG 3.93Å; L238-L263 HydrophobicContact CD1-CD2 4.21Å; V246-L263 HydrophobicContact CG2-CD1 3.89Å; F249-L263 HydrophobicContact CD1-CB 3.74Å; F249-L263 HydrophobicContact CD1-CD1 4.41Å; F249-L263 HydrophobicContact CD1-CD2 3.94Å; F249-L263 HydrophobicContact CD1-CG 4.22Å; F249-L263 HydrophobicContact CE1-CB 3.65Å; F249-L263 HydrophobicContact CE1-CD2 3.25Å; F249-L263 HydrophobicContact CE1-CG 3.94Å; F249-L263 HydrophobicContact CE2-CD2 4.04Å; F249-L263 HydrophobicContact CZ-CD2 3.3Å; F249-L263 HydrophobicContact CZ-CG 4.4Å; E259-L263 PolarHBondContact O-N 2.98Å; D260-L263 PolarHBondContact O-N 3.23Å; L263-L265 PolarHBondContact O-N 2.83Å; L263-R266 PolarHBondContact O-N 3.37Å; L263-V267 WeakPolarHBondContact O-CG2 3.02Å; L263-V267 PolarHBondContact O-N 2.67Å
264	R	98.6	Very high	97.9	Very high	43 Å²	43	47.3 Å²	47.3	16%	0.162	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-48.6	173.9	172.8	179	66	70.8	10.5	111.5	G230 F232 D260 D261 D262 R266 V267 E268 I274	G230-R264 WeakPolarHBondContact O-CD 3.34Å; G230-R264 PolarHBondContact O-NE 3.45Å; F232-R264 HydrophobicContact CB-CB 3.86Å; F232-R264 HydrophobicContact CD1-CB 4.03Å; F232-R264 HydrophobicContact CG-CB 4.14Å; D260-R264 PolarHBondContact O-N 2.77Å; D261-R264 PolarHBondContact O-N 2.99Å; D262-R264 VanDerWaalsContact C-N 3.27Å; D262-R264 PolarHBondContact O-N 3.36Å; R264-R266 VanDerWaalsContact C-N 3.28Å; R264-R266 PolarHBondContact O-N 3.04Å; R264-V267 WeakPolarHBondContact O-CB 3.23Å; R264-V267 PolarHBondContact O-N 2.96Å; R264-E268 WeakPolarHBondContact CD-OE1 3.45Å; R264-E268 HydrophobicContact CG-CG 4.32Å; R264-E268 VanDerWaalsContact CG-OE1 3.22Å; R264-E268 WeakPolarHBondContact CG-OE1 3.42Å; R264-E268 IonicContact CZ-OE1 3.98Å; R264-E268 IonicContact NE-OE1 3.12Å; R264-E268 IonicContact NH1-OE1 3.76Å; R264-E268 PolarHBondContact NH1-OE1 3.41Å; R264-E268 IonicContact NH1-OE2 2.65Å; R264-E268 PolarHBondContact NH1-OE2 2.85Å; R264-E268 WeakPolarHBondContact O-CG 3.48Å; R264-E268 PolarHBondContact O-N 3.02Å; R264-I274 HydrophobicContact CB-CD1 4.29Å; R264-I274 HydrophobicContact CG-CD1 3.66Å
265	L	98.6	Very high	97.9	Very high	50 Å²	50	45.5 Å²	45.5	26%	0.262	21%	0.209	S	C	.	.	H	α-helix	trans	-59.9	-38.9	178.5	-70.8	172.3	0	0	0	111.4	D261 D262 L263 E268 L269 L305 V308	D261-L265 VanDerWaalsContact O-CG 3.31Å; D261-L265 WeakPolarHBondContact O-CG 3.18Å; D261-L265 PolarHBondContact O-N 3.23Å; D262-L265 WeakPolarHBondContact O-CA 3.11Å; D262-L265 WeakPolarHBondContact O-CB 3.4Å; D262-L265 PolarHBondContact O-N 3.05Å; L263-L265 PolarHBondContact O-N 2.83Å; L265-E268 PolarHBondContact O-N 3.39Å; L265-L269 WeakPolarHBondContact O-CB 3.49Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.5Å; L265-L269 PolarHBondContact O-N 3.33Å; L265-L305 HydrophobicContact CD1-CD2 4.14Å; L265-V308 HydrophobicContact CB-CB 4.46Å; L265-V308 HydrophobicContact CB-CG1 3.91Å; L265-V308 HydrophobicContact CD1-CB 4.25Å; L265-V308 HydrophobicContact CD1-CG2 4.05Å
266	R	98.7	Very high	98	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-41.4	175.1	-58.3	-179.8	-174.5	-141.3	-11.8	112.6	V246 N247 G248 S250 D262 L263 R264 L269 H270 V308 W312 D315	V246-R266 HydrophobicContact CB-CB 3.9Å; V246-R266 HydrophobicContact CG1-CB 4.33Å; V246-R266 WeakPolarHBondContact O-CD 3.07Å; N247-R266 PolarHBondContact O-NH1 3.45Å; G248-R266 VanDerWaalsContact O-CD 3.3Å; G248-R266 WeakPolarHBondContact O-CD 3.46Å; G248-R266 PolarHBondContact O-NH1 3Å; S250-R266 VanDerWaalsContact CA-NH2 3.28Å; S250-R266 VanDerWaalsContact CB-NH2 3.32Å; D262-R266 WeakPolarHBondContact O-CG 3.38Å; D262-R266 PolarHBondContact O-N 3.46Å; D262-R266 IonicContact OD1-CZ 3.64Å; D262-R266 IonicContact OD1-NE 3.82Å; D262-R266 PolarHBondContact OD1-NE 2.92Å; D262-R266 IonicContact OD1-NH2 3.81Å; D262-R266 PolarHBondContact OD1-NH2 2.86Å; D262-R266 IonicContact OD2-NH2 3.7Å; L263-R266 PolarHBondContact O-N 3.37Å; R264-R266 VanDerWaalsContact C-N 3.28Å; R264-R266 PolarHBondContact O-N 3.04Å; R266-L269 PolarHBondContact O-N 3.09Å; R266-H270 PolarHBondContact O-N 2.84Å; R266-H270 PolarHBondContact O-ND1 2.85Å; R266-V308 HydrophobicContact CG-CG1 3.95Å; R266-W312 HydrophobicContact CG-CB 3.96Å; R266-D315 VanDerWaalsContact CZ-O 3.23Å; R266-D315 PolarHBondContact NH1-O 3.33Å; R266-D315 PolarHBondContact NH2-O 2.9Å
267	V	98.6	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-47.1	175.1	164.2	0	0	0	0	110.6	P212 F232 L238 V246 L263 R264 L269 H270 R271 M272 I274	P212-V267 HydrophobicContact CB-CG1 4.19Å; P212-V267 HydrophobicContact CB-CG2 4.43Å; P212-V267 HydrophobicContact CG-CG1 3.85Å; P212-V267 HydrophobicContact CG-CG2 4.14Å; F232-V267 HydrophobicContact CE1-CG2 4.48Å; L238-V267 HydrophobicContact CD2-CG2 4.11Å; V246-V267 HydrophobicContact CG1-CG2 4.16Å; L263-V267 WeakPolarHBondContact O-CG2 3.02Å; L263-V267 PolarHBondContact O-N 2.67Å; R264-V267 WeakPolarHBondContact O-CB 3.23Å; R264-V267 PolarHBondContact O-N 2.96Å; V267-L269 PolarHBondContact O-N 2.87Å; V267-H270 CarbonylContact O-C 3.56Å; V267-H270 PolarHBondContact O-N 3.17Å; V267-H270 VanDerWaalsContact O-N 3.11Å; V267-R271 PolarHBondContact O-N 3.35Å; V267-M272 HydrophobicContact CB-CE 4.42Å; V267-M272 HydrophobicContact CG1-CB 3.77Å; V267-M272 HydrophobicContact CG1-CE 4.36Å; V267-M272 HydrophobicContact CG2-CE 4.26Å; V267-M272 PolarHBondContact O-N 3.27Å; V267-I274 HydrophobicContact CG1-CG1 4.28Å
268	E	98.2	Very high	98.1	Very high	87 Å²	87	50.3 Å²	50.3	41%	0.407	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-39	178.1	-72.2	171.3	-175.5	0	0	112.4	R264 L265 H270 R271	R264-E268 WeakPolarHBondContact CD-OE1 3.45Å; R264-E268 HydrophobicContact CG-CG 4.32Å; R264-E268 VanDerWaalsContact CG-OE1 3.22Å; R264-E268 WeakPolarHBondContact CG-OE1 3.42Å; R264-E268 IonicContact CZ-OE1 3.98Å; R264-E268 IonicContact NE-OE1 3.12Å; R264-E268 IonicContact NH1-OE1 3.76Å; R264-E268 PolarHBondContact NH1-OE1 3.41Å; R264-E268 IonicContact NH1-OE2 2.65Å; R264-E268 PolarHBondContact NH1-OE2 2.85Å; R264-E268 WeakPolarHBondContact O-CG 3.48Å; R264-E268 PolarHBondContact O-N 3.02Å; L265-E268 PolarHBondContact O-N 3.39Å; E268-H270 PolarHBondContact O-N 3.09Å; E268-H270 VanDerWaalsContact O-N 3.15Å; E268-R271 WeakPolarHBondContact O-CA 3.4Å; E268-R271 PolarHBondContact O-N 2.76Å
269	L	98	Very high	98	Very high	85 Å²	85	53.4 Å²	53.4	45%	0.445	25%	0.252	S	S	.	.	H	α-helix	trans	-58.7	-26.5	174.1	-75.9	169.4	0	0	0	112.7	L265 R266 V267 R271 V308 W312	L265-L269 WeakPolarHBondContact O-CB 3.49Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.5Å; L265-L269 PolarHBondContact O-N 3.33Å; R266-L269 PolarHBondContact O-N 3.09Å; V267-L269 PolarHBondContact O-N 2.87Å; L269-R271 VanDerWaalsContact C-N 3.34Å; L269-V308 HydrophobicContact CD1-CG1 4.46Å; L269-W312 HydrophobicContact CD1-CG 4.37Å
270	H	98.1	Very high	97.9	Very high	38 Å²	38	57.6 Å²	57.6	18%	0.176	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	12.7	176.2	-69.4	78.2	0	0	0	113.4	K245 R266 V267 E268 M272 W312	K245-H270 PolarHBondContact O-NE2 3.15Å; R266-H270 PolarHBondContact O-N 2.84Å; R266-H270 PolarHBondContact O-ND1 2.85Å; V267-H270 CarbonylContact O-C 3.56Å; V267-H270 PolarHBondContact O-N 3.17Å; V267-H270 VanDerWaalsContact O-N 3.11Å; E268-H270 PolarHBondContact O-N 3.09Å; E268-H270 VanDerWaalsContact O-N 3.15Å; H270-M272 HydrophobicContact CB-CE 3.95Å; H270-M272 HydrophobicContact CB-CG 4.41Å; H270-M272 PolarHBondContact O-N 3.09Å; H270-M272 VanDerWaalsContact O-N 3.13Å; H270-W312 AromaticContact CE1-CE3 3.95Å; H270-W312 AromaticContact CE1-CH2 3.16Å; H270-W312 WeakPolarHBondContact CE1-CH2 3.45Å; H270-W312 AromaticContact CE1-CZ2 3.54Å; H270-W312 AromaticContact CE1-CZ3 3.39Å; H270-W312 WeakPolarHBondContact CE1-CZ3 3.46Å; H270-W312 AromaticContact NE2-CH2 3.2Å; H270-W312 WeakPolarHBondContact NE2-CH2 3.08Å; H270-W312 AromaticContact NE2-CZ2 3.83Å; H270-W312 AromaticContact NE2-CZ3 3.69Å
271	R	97.9	Very high	97.9	Very high	230 Å²	230	57.4 Å²	57.4	87%	0.868	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	22.4	179	-53.2	-179.7	179.6	177.6	-1.2	113.6	V267 E268 L269	V267-R271 PolarHBondContact O-N 3.35Å; E268-R271 WeakPolarHBondContact O-CA 3.4Å; E268-R271 PolarHBondContact O-N 2.76Å; L269-R271 VanDerWaalsContact C-N 3.34Å
272	M	98.3	Very high	97.8	Very high	20 Å²	20	56 Å²	56	10%	0.099	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-83.6	139.2	172.6	-66.1	-173.2	-66.4	0	0	108.7	P212 Q242 V246 V267 H270	P212-M272 HydrophobicContact CG-CB 4.31Å; P212-M272 HydrophobicContact CG-CE 4.23Å; P212-M272 HydrophobicContact CG-SD 4.12Å; Q242-M272 HydrophobicContact CB-SD 4.25Å; Q242-M272 HydrophobicContact CG-SD 3.88Å; V246-M272 HydrophobicContact CG1-CE 3.4Å; V246-M272 VanDerWaalsContact CG1-CE 3.4Å; V267-M272 HydrophobicContact CB-CE 4.42Å; V267-M272 HydrophobicContact CG1-CB 3.77Å; V267-M272 HydrophobicContact CG1-CE 4.36Å; V267-M272 HydrophobicContact CG2-CE 4.26Å; V267-M272 PolarHBondContact O-N 3.27Å; H270-M272 HydrophobicContact CB-CE 3.95Å; H270-M272 HydrophobicContact CB-CG 4.41Å; H270-M272 PolarHBondContact O-N 3.09Å; H270-M272 VanDerWaalsContact O-N 3.13Å
273	K	97	Very high	97.8	Very high	151 Å²	151	58.7 Å²	58.7	66%	0.657	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-88.7	161.2	174.4	-63.5	178	-179.4	174.4	0	109.4	H211 P212	H211-K273 WeakPolarHBondContact CB-O 3.35Å; P212-K273 WeakPolarHBondContact CD-O 3.42Å
274	I	98	Very high	97.8	Very high	35 Å²	35	58.7 Å²	58.7	18%	0.179	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-99.7	118.3	170.9	-69.5	166.6	0	0	0	108.5	P212 H214 F232 R264 V267 R276	P212-I274 CarbonylContact O-C 3.36Å; P212-I274 VanDerWaalsContact O-CA 3.32Å; P212-I274 WeakPolarHBondContact O-CA 3.18Å; H214-I274 HydrophobicContact CB-CG2 3.71Å; F232-I274 HydrophobicContact CB-CD1 4.41Å; F232-I274 HydrophobicContact CD1-CD1 4.47Å; F232-I274 HydrophobicContact CD2-CD1 3.49Å; F232-I274 VanDerWaalsContact CD2-CD1 3.49Å; F232-I274 HydrophobicContact CD2-CG1 3.99Å; F232-I274 HydrophobicContact CD2-CG2 3.89Å; F232-I274 HydrophobicContact CE2-CB 4.4Å; F232-I274 HydrophobicContact CE2-CD1 3.79Å; F232-I274 HydrophobicContact CE2-CG1 3.77Å; F232-I274 HydrophobicContact CE2-CG2 3.75Å; F232-I274 HydrophobicContact CG-CD1 3.89Å; F232-I274 HydrophobicContact CZ-CD1 4.39Å; F232-I274 HydrophobicContact CZ-CG1 4.32Å; R264-I274 HydrophobicContact CB-CD1 4.29Å; R264-I274 HydrophobicContact CG-CD1 3.66Å; V267-I274 HydrophobicContact CG1-CG1 4.28Å; I274-R276 HydrophobicContact CG2-CG 4.37Å
275	S	97.4	Very high	97.8	Very high	28 Å²	28	57.6 Å²	57.6	20%	0.196	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-85.4	149.4	169.6	70.5	0	0	0	0	110.3	E209 P212 K213 H214	E209-S275 PolarHBondContact OE2-OG 3.35Å; P212-S275 PolarHBondContact O-N 3.31Å; K213-S275 CarbonylContact C-O 3.48Å; K213-S275 WeakPolarHBondContact CA-O 3.24Å; K213-S275 WeakPolarHBondContact CB-OG 3.31Å; H214-S275 PolarHBondContact N-O 3.47Å
276	R	97.9	Very high	97.7	Very high	85 Å²	85	56.9 Å²	56.9	32%	0.321	27%	0.269	S	S	.	.			trans	-136.4	144.1	176	-74.8	-177.8	-174.7	97.1	-7.5	108.8	H214 V217 S229 Y231 I274	H214-R276 HydrophobicContact CB-CG 3.87Å; H214-R276 PolarHBondContact ND1-NE 3.14Å; H214-R276 VanDerWaalsContact ND1-NE 3.1Å; V217-R276 HydrophobicContact CG2-CB 4.15Å; S229-R276 PolarHBondContact O-NH2 3.01Å; Y231-R276 PolarHBondContact O-NH2 3.44Å; I274-R276 HydrophobicContact CG2-CG 4.37Å
277	P	97.5	Very high	97.5	Very high	22 Å²	22	57.8 Å²	57.8	14%	0.143	28%	0.275	C	S	.	.			trans	-65.9	170.1	169.6	32	-36.2	0	0	0	110.5	H214 V217 V281	H214-P277 WeakPolarHBondContact O-CD 3.47Å; V217-P277 HydrophobicContact CG2-CG 3.91Å; V217-P277 WeakPolarHBondContact CG2-O 3.47Å; P277-V281 HydrophobicContact CB-CB 4.21Å; P277-V281 HydrophobicContact CB-CG1 3.99Å
278	L	97.3	Very high	97.1	Very high	108 Å²	108	66 Å²	66	57%	0.565	31%	0.311	S	S	*	.			trans	-59	146.6	171.8	-63.8	172.7	0	0	0	110.5	E280 V281 G282	L278-E280 HydrophobicContact CB-CG 4.46Å; L278-E280 WeakPolarHBondContact CB-OE1 3.48Å; L278-E280 WeakPolarHBondContact CD1-OE1 3.16Å; L278-E280 PolarHBondContact O-N 3.33Å; L278-E280 VanDerWaalsContact O-N 3.14Å; L278-V281 HydrophobicContact CB-CG2 4.28Å; L278-V281 WeakPolarHBondContact O-CA 3.18Å; L278-V281 WeakPolarHBondContact O-CB 3.43Å; L278-V281 PolarHBondContact O-N 3.02Å; L278-G282 PolarHBondContact O-N 2.86Å
279	P	95.6	Very high	96.7	Very high	72 Å²	72	64.6 Å²	64.6	47%	0.468	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.2	-176.8	-27.5	35.8	0	0	0	115.5	V217 V281 K283	V217-P279 HydrophobicContact CG1-CB 4.1Å; V217-P279 HydrophobicContact CG1-CG 4.39Å; P279-V281 VanDerWaalsContact C-N 3.32Å; P279-K283 WeakPolarHBondContact O-CE 3.48Å; P279-K283 WeakPolarHBondContact O-CG 3.29Å
280	E	95.7	Very high	96.1	Very high	103 Å²	103	65.7 Å²	65.7	48%	0.481	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.3	175.8	65.1	-83.5	-165.4	0	0	113.9	N201 L278	N201-E280 PolarHBondContact ND2-O 3.5Å; L278-E280 HydrophobicContact CB-CG 4.46Å; L278-E280 WeakPolarHBondContact CB-OE1 3.48Å; L278-E280 WeakPolarHBondContact CD1-OE1 3.16Å; L278-E280 PolarHBondContact O-N 3.33Å; L278-E280 VanDerWaalsContact O-N 3.14Å
281	V	98	Very high	95.6	Very high	17 Å²	17	70.7 Å²	70.7	10%	0.103	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-41.5	178	175.2	0	0	0	0	110.9	F203 N204 P277 L278 P279 K283	F203-V281 HydrophobicContact CB-CG1 3.96Å; F203-V281 HydrophobicContact CB-CG2 4.18Å; N204-V281 VanDerWaalsContact CA-CG1 3.48Å; N204-V281 HydrophobicContact CB-CG1 3.67Å; P277-V281 HydrophobicContact CB-CB 4.21Å; P277-V281 HydrophobicContact CB-CG1 3.99Å; L278-V281 HydrophobicContact CB-CG2 4.28Å; L278-V281 WeakPolarHBondContact O-CA 3.18Å; L278-V281 WeakPolarHBondContact O-CB 3.43Å; L278-V281 PolarHBondContact O-N 3.02Å; P279-V281 VanDerWaalsContact C-N 3.32Å; V281-K283 PolarHBondContact O-N 3.21Å
282	G	97.8	Very high	95	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-77.2	29.5	-176.6	0	0	0	0	0	115.8	V217 G218 L278	V217-G282 PolarHBondContact N-O 3.38Å; G218-G282 PolarHBondContact N-O 3.33Å; L278-G282 PolarHBondContact O-N 2.86Å
283	K	98.1	Very high	94.4	Very high	58 Å²	58	70.4 Å²	70.4	25%	0.252	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	140.7	-178.6	-67.1	-179.3	-179.1	167.4	0	111.8	E200 G218 Y224 P279 V281	E200-K283 HydrophobicContact CB-CB 4.22Å; E200-K283 PolarHBondContact N-O 3.26Å; G218-K283 WeakPolarHBondContact O-CA 3.14Å; Y224-K283 HydrophobicContact CD1-CB 3.9Å; Y224-K283 HydrophobicContact CD1-CD 3.85Å; Y224-K283 HydrophobicContact CD1-CG 3.8Å; Y224-K283 HydrophobicContact CE1-CB 4.25Å; Y224-K283 HydrophobicContact CE1-CD 4.45Å; Y224-K283 HydrophobicContact CG-CD 4.07Å; Y224-K283 HydrophobicContact CG-CG 4.33Å; P279-K283 WeakPolarHBondContact O-CE 3.48Å; P279-K283 WeakPolarHBondContact O-CG 3.29Å; V281-K283 PolarHBondContact O-N 3.21Å
284	Y	98.4	Very high	94	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.2	178.3	-75.2	-108.1	0	0	0	110.9	L197 V198 P199 N204 Y206 L215 V216 G218 R219 N220 V235	L197-Y284 HydrophobicContact CB-CD1 3.81Å; L197-Y284 HydrophobicContact CB-CE1 4.5Å; V198-Y284 CarbonylContact O-C 3.46Å; V198-Y284 VanDerWaalsContact O-CA 3.27Å; V198-Y284 WeakPolarHBondContact O-CA 3Å; P199-Y284 HydrophobicContact CB-CD1 4.17Å; P199-Y284 HydrophobicContact CB-CE1 3.69Å; P199-Y284 HydrophobicContact CB-CE2 4.47Å; P199-Y284 HydrophobicContact CG-CE1 4.32Å; N204-Y284 VanDerWaalsContact ND2-CE2 3.33Å; N204-Y284 WeakPolarHBondContact ND2-CE2 3.35Å; N204-Y284 PolarHBondContact ND2-OH 3.32Å; Y206-Y284 VanDerWaalsContact CE2-OH 3.26Å; Y206-Y284 WeakPolarHBondContact CE2-OH 3.34Å; Y206-Y284 VanDerWaalsContact OH-CE1 3.28Å; Y206-Y284 WeakPolarHBondContact OH-CE1 3.5Å; Y206-Y284 PolarHBondContact OH-OH 3.4Å; L215-Y284 WeakPolarHBondContact CB-OH 3.38Å; L215-Y284 VanDerWaalsContact O-CE2 3.29Å; L215-Y284 WeakPolarHBondContact O-CE2 3.17Å; V216-Y284 HydrophobicContact CB-CD2 4.13Å; V216-Y284 HydrophobicContact CB-CE2 4.28Å; V216-Y284 HydrophobicContact CG1-CD2 4.02Å; V216-Y284 HydrophobicContact CG1-CG 4.39Å; V216-Y284 HydrophobicContact CG2-CD1 4.36Å; V216-Y284 HydrophobicContact CG2-CD2 3.84Å; V216-Y284 HydrophobicContact CG2-CE1 4.29Å; V216-Y284 HydrophobicContact CG2-CE2 3.81Å; V216-Y284 HydrophobicContact CG2-CG 4.16Å; G218-Y284 PolarHBondContact O-N 2.91Å; R219-Y284 CarbonylContact C-O 3.2Å; R219-Y284 WeakPolarHBondContact CA-O 3.29Å; R219-Y284 WeakPolarHBondContact CB-O 3.33Å; N220-Y284 PolarHBondContact N-O 3.36Å; N220-Y284 VanDerWaalsContact N-O 3.14Å; V235-Y284 HydrophobicContact CB-CE1 4.37Å; V235-Y284 HydrophobicContact CG2-CD1 4.39Å; V235-Y284 HydrophobicContact CG2-CE1 3.75Å
285	T	98.1	Very high	93.7	Very high	20 Å²	20	63.3 Å²	63.3	12%	0.123	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121	163.6	-73.4	0	0	0	0	108.8	L90 F92 V198 E200	L90-T285 HydrophobicContact CD1-CG2 4.44Å; F92-T285 HydrophobicContact CE2-CG2 3.66Å; F92-T285 HydrophobicContact CZ-CG2 3.77Å; V198-T285 PolarHBondContact N-O 3.28Å; V198-T285 PolarHBondContact O-N 3.45Å; E200-T285 PolarHBondContact OE1-N 2.94Å; E200-T285 VanDerWaalsContact OE1-N 3.1Å; E200-T285 PolarHBondContact OE1-OG1 2.85Å
286	M	96.7	Very high	93.6	Very high	36 Å²	36	65.4 Å²	65.4	18%	0.177	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.1	168.6	-173	-173.8	-179.4	0	0	108.6	D196 L197 N220 F288	D196-M286 CarbonylContact O-C 3.52Å; D196-M286 VanDerWaalsContact O-CA 3.3Å; D196-M286 WeakPolarHBondContact O-CA 3.21Å; D196-M286 WeakPolarHBondContact OD2-CE 3.4Å; D196-M286 WeakPolarHBondContact OD2-CG 3.27Å; L197-M286 HydrophobicContact CD2-CB 3.83Å; L197-M286 HydrophobicContact CD2-CG 4.02Å; N220-M286 PolarHBondContact ND2-O 3.21Å; N220-M286 VanDerWaalsContact OD1-CB 3.31Å; N220-M286 WeakPolarHBondContact OD1-CB 3.28Å; N220-M286 PolarHBondContact OD1-N 3.4Å; M286-F288 PolarHBondContact O-N 2.94Å
287	V	95.4	Very high	93.5	Very high	18 Å²	18	64.2 Å²	64.2	11%	0.109	32%	0.32	C	S	.	.			trans	-70.4	113.6	173.9	-178.4	0	0	0	0	108	F92 H136 Y139 D196 V198	F92-V287 HydrophobicContact CD1-CG2 4.28Å; F92-V287 HydrophobicContact CE1-CG2 3.81Å; F92-V287 HydrophobicContact CE2-CG2 4.42Å; F92-V287 HydrophobicContact CZ-CG2 3.88Å; H136-V287 WeakPolarHBondContact NE2-CG1 3.07Å; H136-V287 PolarHBondContact NE2-O 3.35Å; Y139-V287 HydrophobicContact CD2-CG1 4.04Å; Y139-V287 HydrophobicContact CD2-CG2 4.44Å; Y139-V287 HydrophobicContact CE2-CG1 4.29Å; D196-V287 PolarHBondContact O-N 3.49Å; V198-V287 HydrophobicContact CG2-CG2 4.22Å
288	F	90.7	Very high	93.5	Very high	174 Å²	174	63.8 Å²	63.8	76%	0.763	32%	0.316	S	S	*	.			trans	-57.2	144.1	-169.9	178.5	-95.1	0	0	0	112.9	H136 M286	H136-F288 PolarHBondContact NE2-O 2.82Å; M286-F288 PolarHBondContact O-N 2.94Å
289	H	88.1	Confident	93.4	Very high	56 Å²	56	62.6 Å²	62.6	26%	0.259	32%	0.321	S	S	.	.			trans	-158.9	157.6	171.9	65.5	84.7	0	0	0	110.9	R133 D196	R133-H289 VanDerWaalsContact CZ-CG 3.44Å; R133-H289 PolarHBondContact NH1-CD2 3.1Å; R133-H289 PolarHBondContact NH2-CE1 2.91Å; R133-H289 PolarHBondContact NH2-ND1 3.36Å; D196-H289 IonicContact OD2-CD2 3.44Å; D196-H289 PolarHBondContact OD2-CD2 3.3Å; D196-H289 IonicContact OD2-NE2 3.66Å; D196-H289 PolarHBondContact OD2-NE2 3.47Å; D196-H289 VanDerWaalsContact OD2-NE2 3.12Å
290	T	86.3	Confident	93.5	Very high	108 Å²	108	63.6 Å²	63.6	66%	0.663	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-81.5	165.8	165.8	55.9	0	0	0	0	110.2	D292	T290-D292 PolarHBondContact O-N 3.12Å
291	R	86.4	Confident	93.5	Very high	144 Å²	144	62.1 Å²	62.1	54%	0.543	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-69.1	127.7	179.6	-178.3	153.1	53.8	79.2	-7.6	110.3	N295 E296	R291-N295 VanDerWaalsContact CD-O 3.28Å; R291-N295 WeakPolarHBondContact CD-O 3.17Å; R291-N295 WeakPolarHBondContact CG-O 3.34Å; R291-E296 VanDerWaalsContact NH1-CA 3.29Å
292	D	86.1	Confident	93.5	Very high	53 Å²	53	66 Å²	66	28%	0.283	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-72.7	151.9	-176.9	-56.7	-37.7	0	0	0	112.7	R133 T290 G294 N295	R133-D292 IonicContact CZ-OD1 2.81Å; R133-D292 IonicContact CZ-OD2 2.74Å; R133-D292 VanDerWaalsContact CZ-OD2 3.31Å; R133-D292 IonicContact NE-OD1 3.54Å; R133-D292 PolarHBondContact NE-OD1 3.44Å; R133-D292 IonicContact NE-OD2 3.31Å; R133-D292 PolarHBondContact NE-OD2 3.41Å; R133-D292 IonicContact NH2-OD1 2.77Å; R133-D292 PolarHBondContact NH2-OD1 3.31Å; R133-D292 IonicContact NH2-OD2 3.49Å; R133-D292 PolarHBondContact NH2-OD2 3.33Å; T290-D292 PolarHBondContact O-N 3.12Å; D292-G294 PolarHBondContact O-N 3.18Å; D292-N295 HydrophobicContact CB-CB 4.28Å; D292-N295 PolarHBondContact O-N 2.8Å
293	K	87	Confident	93.5	Very high	190 Å²	190	71.6 Å²	71.6	83%	0.826	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	134.1	167.9	-174.7	179.4	177.9	-177.4	0	110.2	R131 N295	R131-K293 PolarHBondContact NH2-O 3.46Å; R131-K293 VanDerWaalsContact NH2-O 3.11Å; K293-N295 PolarHBondContact O-N 3.07Å
294	G	88.1	Confident	93.5	Very high	10 Å²	10	70.2 Å²	70.2	10%	0.103	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	4.2	-176.1	0	0	0	0	0	114	K167 F168 D292 E296	K167-G294 CarbonylContact C-O 3.54Å; K167-G294 VanDerWaalsContact CA-O 3.26Å; K167-G294 WeakPolarHBondContact CA-O 3.48Å; F168-G294 PolarHBondContact N-O 3.31Å; D292-G294 PolarHBondContact O-N 3.18Å; G294-E296 VanDerWaalsContact C-OE2 3.29Å; G294-E296 WeakPolarHBondContact CA-OE2 3.35Å; G294-E296 PolarHBondContact N-OE1 3.18Å; G294-E296 PolarHBondContact N-OE2 3.19Å
295	N	91.5	Very high	93.5	Very high	27 Å²	27	71.5 Å²	71.5	14%	0.144	36%	0.355	C	S	.	.			trans	-114.9	37.1	169.3	-163.5	21	0	0	0	110.6	F168 W256 R291 D292 K293	F168-N295 HydrophobicContact CB-CB 4.41Å; W256-N295 WeakPolarHBondContact CB-O 3.44Å; W256-N295 PolarHBondContact N-OD1 2.83Å; R291-N295 VanDerWaalsContact CD-O 3.28Å; R291-N295 WeakPolarHBondContact CD-O 3.17Å; R291-N295 WeakPolarHBondContact CG-O 3.34Å; D292-N295 HydrophobicContact CB-CB 4.28Å; D292-N295 PolarHBondContact O-N 2.8Å; K293-N295 PolarHBondContact O-N 3.07Å
296	E	94.6	Very high	93.5	Very high	73 Å²	73	77.4 Å²	77.4	34%	0.341	38%	0.381	S	S	.	.			trans	-68.6	156.1	177.2	-54	78.3	-171	0	0	112.1	G255 W256 R291 G294 N298	G255-E296 CarbonylContact C-O 3.35Å; G255-E296 WeakPolarHBondContact CA-O 3.22Å; W256-E296 PolarHBondContact N-O 2.85Å; R291-E296 VanDerWaalsContact NH1-CA 3.29Å; G294-E296 VanDerWaalsContact C-OE2 3.29Å; G294-E296 WeakPolarHBondContact CA-OE2 3.35Å; G294-E296 PolarHBondContact N-OE1 3.18Å; G294-E296 PolarHBondContact N-OE2 3.19Å; E296-N298 PolarHBondContact O-N 3.3Å; E296-N298 VanDerWaalsContact O-N 3.14Å
297	V	96.1	Very high	93.5	Very high	60 Å²	60	79.1 Å²	79.1	36%	0.364	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-51.7	121.7	178.1	175.7	0	0	0	0	109.8	W256 A299	W256-V297 HydrophobicContact CE3-CG1 4.46Å; W256-V297 HydrophobicContact CE3-CG2 3.98Å; W256-V297 HydrophobicContact CZ3-CG2 4.46Å; V297-A299 PolarHBondContact O-N 2.88Å
298	N	96.7	Very high	93.7	Very high	13 Å²	13	78.4 Å²	78.4	7%	0.07	38%	0.384	C	S	.	.			trans	-71.9	112.8	176.2	-179.2	-4.3	0	0	0	109.2	W254 W256 E296 E300 R301	W254-N298 WeakPolarHBondContact O-CB 3.31Å; W256-N298 PolarHBondContact O-N 3.34Å; E296-N298 PolarHBondContact O-N 3.3Å; E296-N298 VanDerWaalsContact O-N 3.14Å; N298-E300 VanDerWaalsContact C-N 3.26Å; N298-E300 PolarHBondContact O-N 2.71Å; N298-E300 PolarHBondContact OD1-N 3.37Å; N298-R301 HydrophobicContact CB-CB 4.16Å; N298-R301 WeakPolarHBondContact O-CB 3.43Å; N298-R301 WeakPolarHBondContact O-CD 3.27Å; N298-R301 VanDerWaalsContact O-CG 3.23Å; N298-R301 WeakPolarHBondContact O-CG 3.43Å; N298-R301 PolarHBondContact O-N 3.34Å; N298-R301 PolarHBondContact O-NH1 3.07Å
299	A	96.8	Very high	94	Very high	82 Å²	82	73.8 Å²	73.8	68%	0.678	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-31.5	179.4	0	0	0	0	0	112.4	V297 R301	V297-A299 PolarHBondContact O-N 2.88Å; A299-R301 VanDerWaalsContact C-N 3.34Å; A299-R301 PolarHBondContact O-N 2.56Å
300	E	96.6	Very high	94.5	Very high	94 Å²	94	81.1 Å²	81.1	44%	0.439	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.4	-178.3	-61.1	-64.3	101.5	0	0	112.9	N298 M302 K303 L304	N298-E300 VanDerWaalsContact C-N 3.26Å; N298-E300 PolarHBondContact O-N 2.71Å; N298-E300 PolarHBondContact OD1-N 3.37Å; E300-M302 PolarHBondContact O-N 2.83Å; E300-M302 VanDerWaalsContact O-N 3.11Å; E300-K303 WeakPolarHBondContact O-CA 3.32Å; E300-K303 WeakPolarHBondContact O-CB 3.5Å; E300-K303 PolarHBondContact O-N 2.8Å; E300-K303 WeakPolarHBondContact OE2-CD 3.3Å; E300-K303 IonicContact OE2-NZ 2.81Å; E300-K303 PolarHBondContact OE2-NZ 3.27Å; E300-L304 PolarHBondContact O-N 3.1Å
301	R	96.9	Very high	95	Very high	72 Å²	72	77.8 Å²	77.8	27%	0.272	38%	0.378	S	S	.	.	H	α-helix	trans	-54.5	-38.2	-172.2	71.5	-171.5	179.9	-76.5	2.2	113.9	Y253 G257 N298 A299 L305	Y253-R301 HydrophobicContact CD1-CB 4.5Å; Y253-R301 HydrophobicContact CE1-CB 4.2Å; G257-R301 WeakPolarHBondContact O-CB 3.23Å; N298-R301 HydrophobicContact CB-CB 4.16Å; N298-R301 WeakPolarHBondContact O-CB 3.43Å; N298-R301 WeakPolarHBondContact O-CD 3.27Å; N298-R301 VanDerWaalsContact O-CG 3.23Å; N298-R301 WeakPolarHBondContact O-CG 3.43Å; N298-R301 PolarHBondContact O-N 3.34Å; N298-R301 PolarHBondContact O-NH1 3.07Å; A299-R301 VanDerWaalsContact C-N 3.34Å; A299-R301 PolarHBondContact O-N 2.56Å; R301-L305 WeakPolarHBondContact O-CB 3.25Å; R301-L305 WeakPolarHBondContact O-CG 3.21Å; R301-L305 PolarHBondContact O-N 3.44Å
302	M	97.8	Very high	95.6	Very high	99 Å²	99	72.4 Å²	72.4	49%	0.488	36%	0.358	S	S	.	.	H	α-helix	trans	-70.1	-39.8	178.5	-63	-51	-59.5	0	0	110.9	E300 L305 H306	E300-M302 PolarHBondContact O-N 2.83Å; E300-M302 VanDerWaalsContact O-N 3.11Å; M302-L305 HydrophobicContact CE-CD1 4.46Å; M302-L305 PolarHBondContact O-N 3.43Å; M302-L305 HydrophobicContact SD-CD1 4.17Å; M302-H306 PolarHBondContact O-N 3.45Å; M302-H306 VanDerWaalsContact O-N 3.13Å; M302-H306 PolarHBondContact O-ND1 2.98Å
303	K	97.9	Very high	96.1	Very high	116 Å²	116	78.6 Å²	78.6	50%	0.504	38%	0.377	S	S	.	.	H	α-helix	trans	-64.1	-43.2	176.2	177.7	-172.9	171.3	-174.5	0	111.3	E300 L305 H306 Q307	E300-K303 WeakPolarHBondContact O-CA 3.32Å; E300-K303 WeakPolarHBondContact O-CB 3.5Å; E300-K303 PolarHBondContact O-N 2.8Å; E300-K303 WeakPolarHBondContact OE2-CD 3.3Å; E300-K303 IonicContact OE2-NZ 2.81Å; E300-K303 PolarHBondContact OE2-NZ 3.27Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.17Å; K303-H306 PolarHBondContact O-N 3.08Å; K303-Q307 WeakPolarHBondContact O-CG 3.25Å; K303-Q307 PolarHBondContact O-N 2.93Å
304	L	98	Very high	96.7	Very high	30 Å²	30	74.4 Å²	74.4	16%	0.157	37%	0.367	C	S	.	.	H	α-helix	trans	-58.6	-46.3	174.2	-65.6	173.3	0	0	0	111	N252 Y253 E300 H306 Q307 V308	N252-L304 HydrophobicContact CB-CD2 4.19Å; Y253-L304 HydrophobicContact CD1-CD1 4.03Å; Y253-L304 HydrophobicContact CD2-CD1 4.19Å; Y253-L304 HydrophobicContact CE1-CB 4.01Å; Y253-L304 HydrophobicContact CE1-CD1 3.99Å; Y253-L304 HydrophobicContact CE2-CB 4.01Å; Y253-L304 HydrophobicContact CE2-CD1 4.14Å; Y253-L304 HydrophobicContact CG-CD1 4.14Å; Y253-L304 WeakPolarHBondContact OH-CB 3.25Å; E300-L304 PolarHBondContact O-N 3.1Å; L304-H306 VanDerWaalsContact C-N 3.32Å; L304-H306 PolarHBondContact O-N 3.35Å; L304-Q307 WeakPolarHBondContact O-CB 3.19Å; L304-Q307 PolarHBondContact O-N 3.21Å; L304-V308 PolarHBondContact O-N 2.72Å
305	L	97.7	Very high	97.2	Very high	27 Å²	27	74.5 Å²	74.5	14%	0.141	37%	0.365	C	S	.	.	H	α-helix	trans	-58.9	-37.9	178.1	-80.7	173.3	0	0	0	113.9	Y253 G258 D261 D262 L265 R301 M302 K303 Q307 V308	Y253-L305 WeakPolarHBondContact OH-CD2 3.31Å; Y253-L305 WeakPolarHBondContact OH-CG 3.4Å; Y253-L305 PolarHBondContact OH-N 3.21Å; G258-L305 WeakPolarHBondContact O-CD2 3.32Å; D261-L305 HydrophobicContact CB-CD1 4.21Å; D261-L305 HydrophobicContact CB-CD2 3.68Å; D262-L305 HydrophobicContact CB-CD2 4.07Å; L265-L305 HydrophobicContact CD1-CD2 4.14Å; R301-L305 WeakPolarHBondContact O-CB 3.25Å; R301-L305 WeakPolarHBondContact O-CG 3.21Å; R301-L305 PolarHBondContact O-N 3.44Å; M302-L305 HydrophobicContact CE-CD1 4.46Å; M302-L305 PolarHBondContact O-N 3.43Å; M302-L305 HydrophobicContact SD-CD1 4.17Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 3.17Å; L305-Q307 PolarHBondContact O-N 2.78Å; L305-V308 VanDerWaalsContact O-CG2 3.32Å; L305-V308 WeakPolarHBondContact O-CG2 3.48Å
306	H	97.8	Very high	97.5	Very high	144 Å²	144	73.2 Å²	73.2	67%	0.667	36%	0.359	S	S	*	.	H	α-helix	trans	-70.4	-14.8	176.6	-69.6	100	0	0	0	113.3	M302 K303 L304	M302-H306 PolarHBondContact O-N 3.45Å; M302-H306 VanDerWaalsContact O-N 3.13Å; M302-H306 PolarHBondContact O-ND1 2.98Å; K303-H306 PolarHBondContact O-N 3.08Å; L304-H306 VanDerWaalsContact C-N 3.32Å; L304-H306 PolarHBondContact O-N 3.35Å
307	Q	97.6	Very high	97.7	Very high	72 Å²	72	70.7 Å²	70.7	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-97.1	-10.5	-177.1	-67.7	177.8	-3.4	0	0	113.6	K303 L304 L305 S309 R310 V311	K303-Q307 WeakPolarHBondContact O-CG 3.25Å; K303-Q307 PolarHBondContact O-N 2.93Å; L304-Q307 WeakPolarHBondContact O-CB 3.19Å; L304-Q307 PolarHBondContact O-N 3.21Å; L305-Q307 PolarHBondContact O-N 2.78Å; Q307-S309 VanDerWaalsContact C-N 3.34Å; Q307-S309 PolarHBondContact O-N 3.03Å; Q307-R310 WeakPolarHBondContact O-CA 3.44Å; Q307-R310 WeakPolarHBondContact O-CB 3.31Å; Q307-R310 PolarHBondContact O-N 3.21Å; Q307-V311 HydrophobicContact CB-CG1 4.29Å; Q307-V311 HydrophobicContact CB-CG2 4.35Å; Q307-V311 WeakPolarHBondContact O-CG2 3.28Å; Q307-V311 PolarHBondContact O-N 3.23Å; Q307-V311 VanDerWaalsContact O-N 3.11Å
308	V	98.2	Very high	97.8	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-48.5	-51	-171.5	177.8	0	0	0	0	112.9	D262 L265 R266 L269 L304 L305 R310 V311 W312	D262-V308 HydrophobicContact CB-CG2 4.01Å; D262-V308 VanDerWaalsContact CG-CG2 3.44Å; D262-V308 WeakPolarHBondContact OD2-CG2 3.37Å; L265-V308 HydrophobicContact CB-CB 4.46Å; L265-V308 HydrophobicContact CB-CG1 3.91Å; L265-V308 HydrophobicContact CD1-CB 4.25Å; L265-V308 HydrophobicContact CD1-CG2 4.05Å; R266-V308 HydrophobicContact CG-CG1 3.95Å; L269-V308 HydrophobicContact CD1-CG1 4.46Å; L304-V308 PolarHBondContact O-N 2.72Å; L305-V308 VanDerWaalsContact O-CG2 3.32Å; L305-V308 WeakPolarHBondContact O-CG2 3.48Å; V308-R310 PolarHBondContact O-N 2.98Å; V308-V311 PolarHBondContact O-N 2.99Å; V308-V311 VanDerWaalsContact O-N 3.14Å; V308-W312 HydrophobicContact CG1-CB 4.41Å; V308-W312 WeakPolarHBondContact O-CB 3.47Å; V308-W312 VanDerWaalsContact O-CD1 3.3Å; V308-W312 PolarHBondContact O-N 3.2Å
309	S	97.7	Very high	97.8	Very high	77 Å²	77	73.8 Å²	73.8	54%	0.538	37%	0.373	S	S	.	.	H	α-helix	trans	-59.9	-22.3	-178.4	61.5	0	0	0	0	114.1	Q307	Q307-S309 VanDerWaalsContact C-N 3.34Å; Q307-S309 PolarHBondContact O-N 3.03Å
310	R	97.9	Very high	97.9	Very high	210 Å²	210	70.6 Å²	70.6	79%	0.792	35%	0.345	S	S	*	.	H	α-helix	trans	-92.1	-34.4	179	-56.6	179	-177.7	179.9	0.2	112.6	Q307 V308	Q307-R310 WeakPolarHBondContact O-CA 3.44Å; Q307-R310 WeakPolarHBondContact O-CB 3.31Å; Q307-R310 PolarHBondContact O-N 3.21Å; V308-R310 PolarHBondContact O-N 2.98Å
311	V	97.8	Very high	97.9	Very high	39 Å²	39	68.9 Å²	68.9	24%	0.236	34%	0.344	C	S	.	.	H	α-helix	trans	-111.3	-14.1	-166.2	-54.5	0	0	0	0	115	Q307 V308 R313 T314 D315	Q307-V311 HydrophobicContact CB-CG1 4.29Å; Q307-V311 HydrophobicContact CB-CG2 4.35Å; Q307-V311 WeakPolarHBondContact O-CG2 3.28Å; Q307-V311 PolarHBondContact O-N 3.23Å; Q307-V311 VanDerWaalsContact O-N 3.11Å; V308-V311 PolarHBondContact O-N 2.99Å; V308-V311 VanDerWaalsContact O-N 3.14Å; V311-R313 PolarHBondContact O-N 3.35Å; V311-T314 PolarHBondContact O-N 2.99Å; V311-T314 PolarHBondContact O-OG1 3.29Å; V311-T314 VanDerWaalsContact O-OG1 3.12Å; V311-D315 PolarHBondContact O-N 2.87Å
312	W	98.1	Very high	97.9	Very high	31 Å²	31	67.6 Å²	67.6	12%	0.117	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.2	-173.4	73.7	-91.9	0	0	0	114	N247 R266 L269 H270 V308 T314	N247-W312 HydrophobicContact CB-CE3 4.21Å; N247-W312 HydrophobicContact CB-CZ3 4.4Å; N247-W312 PolarHBondContact ND2-O 3.32Å; R266-W312 HydrophobicContact CG-CB 3.96Å; L269-W312 HydrophobicContact CD1-CG 4.37Å; H270-W312 AromaticContact CE1-CE3 3.95Å; H270-W312 AromaticContact CE1-CH2 3.16Å; H270-W312 WeakPolarHBondContact CE1-CH2 3.45Å; H270-W312 AromaticContact CE1-CZ2 3.54Å; H270-W312 AromaticContact CE1-CZ3 3.39Å; H270-W312 WeakPolarHBondContact CE1-CZ3 3.46Å; H270-W312 AromaticContact NE2-CH2 3.2Å; H270-W312 WeakPolarHBondContact NE2-CH2 3.08Å; H270-W312 AromaticContact NE2-CZ2 3.83Å; H270-W312 AromaticContact NE2-CZ3 3.69Å; V308-W312 HydrophobicContact CG1-CB 4.41Å; V308-W312 WeakPolarHBondContact O-CB 3.47Å; V308-W312 VanDerWaalsContact O-CD1 3.3Å; V308-W312 PolarHBondContact O-N 3.2Å; W312-T314 VanDerWaalsContact C-N 3.33Å
313	R	97.9	Very high	97.9	Very high	182 Å²	182	67.7 Å²	67.7	69%	0.687	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-25.9	178.4	-66.2	-175.5	179.1	142.8	-1	113.8	N247 V311	N247-R313 PolarHBondContact ND2-O 2.95Å; V311-R313 PolarHBondContact O-N 3.35Å
314	T	98.2	Very high	97.8	Very high	102 Å²	102	65.5 Å²	65.5	63%	0.626	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-18	-174.4	54.7	0	0	0	0	112.4	V311 W312 S319	V311-T314 PolarHBondContact O-N 2.99Å; V311-T314 PolarHBondContact O-OG1 3.29Å; V311-T314 VanDerWaalsContact O-OG1 3.12Å; W312-T314 VanDerWaalsContact C-N 3.33Å; T314-S319 VanDerWaalsContact O-CB 3.26Å; T314-S319 WeakPolarHBondContact O-CB 3.47Å; T314-S319 PolarHBondContact O-OG 3.02Å
315	D	98.4	Very high	97.8	Very high	12 Å²	12	68 Å²	68	6%	0.064	35%	0.346	C	S	.	.	S	Bend	trans	-112.3	101.6	175.2	175.8	23.3	0	0	0	110.4	S250 N251 N252 R266 V311 S319	S250-D315 WeakPolarHBondContact CB-OD2 3.48Å; S250-D315 PolarHBondContact OG-OD2 3.19Å; N251-D315 WeakPolarHBondContact CB-OD1 3.26Å; N251-D315 PolarHBondContact N-OD1 2.74Å; N252-D315 PolarHBondContact ND2-OD1 2.92Å; N252-D315 PolarHBondContact ND2-OD2 3.2Å; R266-D315 VanDerWaalsContact CZ-O 3.23Å; R266-D315 PolarHBondContact NH1-O 3.33Å; R266-D315 PolarHBondContact NH2-O 2.9Å; V311-D315 PolarHBondContact O-N 2.87Å; D315-S319 WeakPolarHBondContact CA-OG 3Å
316	G	98.7	Very high	97.8	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	172.9	-148.3	-176.8	0	0	0	0	0	114.1	N247 F249 N251 S318 S319 C320	N247-G316 CarbonylContact O-C 3.6Å; N247-G316 WeakPolarHBondContact O-CA 3.35Å; F249-G316 WeakPolarHBondContact O-CA 3.25Å; N251-G316 PolarHBondContact ND2-O 2.85Å; G316-S318 PolarHBondContact O-N 3.04Å; G316-S319 PolarHBondContact N-OG 3.31Å; G316-S319 VanDerWaalsContact N-OG 3.07Å; G316-S319 CarbonylContact O-C 3.48Å; G316-S319 PolarHBondContact O-N 3.07Å; G316-S319 PolarHBondContact O-OG 2.95Å; G316-C320 PolarHBondContact O-N 3.36Å
317	L	98.7	Very high	97.8	Very high	21 Å²	21	63.9 Å²	63.9	11%	0.11	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-51.6	-43.1	173.2	-71.3	171.9	0	0	0	111.8	N175 Y178 L179 F243 N247 S319 C320	N175-L317 HydrophobicContact CB-CD2 4.04Å; Y178-L317 HydrophobicContact CD1-CD1 4.09Å; Y178-L317 HydrophobicContact CD1-CD2 3.76Å; Y178-L317 HydrophobicContact CE1-CD1 3.85Å; Y178-L317 HydrophobicContact CE1-CD2 4.33Å; L179-L317 HydrophobicContact CD1-CD2 4.31Å; L179-L317 HydrophobicContact CD2-CD2 4.14Å; L179-L317 HydrophobicContact CG-CD2 4Å; F243-L317 HydrophobicContact CD1-CD1 3.93Å; F243-L317 HydrophobicContact CE1-CD1 4.01Å; F243-L317 HydrophobicContact CE1-CD2 3.94Å; F243-L317 HydrophobicContact CE1-CG 4.22Å; N247-L317 PolarHBondContact O-N 3.07Å; N247-L317 PolarHBondContact OD1-N 3.07Å; N247-L317 VanDerWaalsContact OD1-N 3.12Å; L317-S319 PolarHBondContact O-N 3.09Å; L317-S319 VanDerWaalsContact O-N 3.12Å; L317-C320 PolarHBondContact O-N 3.32Å
318	S	97.8	Very high	97.8	Very high	84 Å²	84	64.8 Å²	64.8	59%	0.587	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-61.6	-19.4	-179.5	64.8	0	0	0	0	114.8	N247 G316	N247-S318 PolarHBondContact ND2-OG 3.36Å; N247-S318 PolarHBondContact OD1-N 3.25Å; N247-S318 PolarHBondContact OD1-OG 3.47Å; G316-S318 PolarHBondContact O-N 3.04Å
319	S	98.1	Very high	97.8	Very high	53 Å²	53	67.3 Å²	67.3	37%	0.371	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-126.4	15.8	-179.5	54.3	0	0	0	0	112.8	N251 T314 D315 G316 L317 S321	N251-S319 PolarHBondContact ND2-O 2.86Å; T314-S319 VanDerWaalsContact O-CB 3.26Å; T314-S319 WeakPolarHBondContact O-CB 3.47Å; T314-S319 PolarHBondContact O-OG 3.02Å; D315-S319 WeakPolarHBondContact CA-OG 3Å; G316-S319 PolarHBondContact N-OG 3.31Å; G316-S319 VanDerWaalsContact N-OG 3.07Å; G316-S319 CarbonylContact O-C 3.48Å; G316-S319 PolarHBondContact O-N 3.07Å; G316-S319 PolarHBondContact O-OG 2.95Å; L317-S319 PolarHBondContact O-N 3.09Å; L317-S319 VanDerWaalsContact O-N 3.12Å; S319-S321 PolarHBondContact O-N 3.1Å
320	C	97.9	Very high	97.7	Very high	15 Å²	15	65.9 Å²	65.9	10%	0.101	34%	0.336	C	S	.	.			trans	-76.5	87.6	-179.6	-163.1	0	0	0	0	110.3	N175 L179 N251 G316 L317 Y322	N175-C320 HydrophobicContact CB-CB 4.3Å; N175-C320 VanDerWaalsContact CB-SG 3.57Å; L179-C320 HydrophobicContact CD1-CB 4.15Å; N251-C320 PolarHBondContact ND2-N 2.77Å; N251-C320 PolarHBondContact OD1-SG 2.74Å; N251-C320 VanDerWaalsContact OD1-SG 3.37Å; G316-C320 PolarHBondContact O-N 3.36Å; L317-C320 PolarHBondContact O-N 3.32Å; C320-Y322 WeakPolarHBondContact O-CD1 3.44Å; C320-Y322 WeakPolarHBondContact O-CE1 3.25Å
321	S	96.6	Very high	97.6	Very high	58 Å²	58	58.2 Å²	58.2	41%	0.406	31%	0.314	S	S	.	.			trans	-93.3	130.7	177.4	170.3	0	0	0	0	111.4	K172 S319 A344	K172-S321 WeakPolarHBondContact CE-O 3.39Å; K172-S321 PolarHBondContact NZ-O 2.94Å; S319-S321 PolarHBondContact O-N 3.1Å; S321-A344 WeakPolarHBondContact OG-CB 3.35Å
322	Y	97.1	Very high	97.7	Very high	45 Å²	45	56.5 Å²	56.5	18%	0.176	30%	0.303	C	S	.	.			trans	-159.7	155.8	-178.6	59.3	-83.6	0	0	0	110.6	V176 L179 E180 C320 V338	V176-Y322 HydrophobicContact CG1-CD2 4.32Å; V176-Y322 HydrophobicContact CG1-CE2 4.13Å; V176-Y322 HydrophobicContact CG2-CD1 3.61Å; V176-Y322 HydrophobicContact CG2-CD2 4.08Å; V176-Y322 HydrophobicContact CG2-CE1 3.92Å; V176-Y322 HydrophobicContact CG2-CE2 4.35Å; V176-Y322 HydrophobicContact CG2-CG 3.7Å; L179-Y322 HydrophobicContact CD1-CE1 3.91Å; E180-Y322 WeakPolarHBondContact OE1-CE2 3.43Å; E180-Y322 PolarHBondContact OE1-OH 3.46Å; C320-Y322 WeakPolarHBondContact O-CD1 3.44Å; C320-Y322 WeakPolarHBondContact O-CE1 3.25Å; Y322-V338 HydrophobicContact CD2-CB 4.42Å; Y322-V338 HydrophobicContact CD2-CG1 3.84Å; Y322-V338 HydrophobicContact CE2-CG1 4.39Å
323	K	96.8	Very high	97.7	Very high	101 Å²	101	56.4 Å²	56.4	44%	0.439	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.8	167.7	-178.1	-172.6	179.1	-176.9	0	109.2	V325 V338 D339 S342	K323-V325 PolarHBondContact O-N 2.89Å; K323-V338 WeakPolarHBondContact O-CA 3.42Å; K323-D339 HydrophobicContact CB-CB 4.42Å; K323-D339 PolarHBondContact N-O 2.9Å; K323-D339 PolarHBondContact O-N 2.98Å; K323-S342 WeakPolarHBondContact CD-OG 3.39Å
324	L	97.4	Very high	97.7	Very high	70 Å²	70	47.8 Å²	47.8	37%	0.366	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.5	170.1	-173.3	63.8	0	0	0	109.4	V327 I336 V338	L324-V327 HydrophobicContact CD1-CG2 3.83Å; L324-V327 HydrophobicContact CD2-CG2 3.93Å; L324-V327 HydrophobicContact CG-CG2 4.24Å; L324-I336 HydrophobicContact CD1-CG2 3.81Å; L324-V338 HydrophobicContact CD1-CG1 4.05Å
325	V	97.2	Very high	97.7	Very high	82 Å²	82	43.7 Å²	43.7	50%	0.497	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-51.2	179.9	178.9	0	0	0	0	110.3	K323 T337 D339	K323-V325 PolarHBondContact O-N 2.89Å; V325-T337 WeakPolarHBondContact CA-O 3.42Å; V325-T337 HydrophobicContact CB-CG2 3.96Å; V325-T337 WeakPolarHBondContact CB-O 3.36Å; V325-T337 HydrophobicContact CG1-CG2 4.22Å; V325-T337 HydrophobicContact CG2-CG2 4.42Å; V325-T337 PolarHBondContact N-O 3.14Å; V325-D339 HydrophobicContact CG2-CB 3.99Å
326	S	97.6	Very high	97.7	Very high	31 Å²	31	43.2 Å²	43.2	22%	0.217	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.7	176.5	67.8	0	0	0	0	112.1	E328 T337	S326-E328 PolarHBondContact OG-OE1 2.94Å; S326-T337 PolarHBondContact N-O 3Å; S326-T337 PolarHBondContact O-N 2.76Å
327	V	98.3	Very high	97.7	Very high	54 Å²	54	44.5 Å²	44.5	33%	0.327	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	117.7	166.1	-178.3	0	0	0	0	107	L324 V334 N335 I336	L324-V327 HydrophobicContact CD1-CG2 3.83Å; L324-V327 HydrophobicContact CD2-CG2 3.93Å; L324-V327 HydrophobicContact CG-CG2 4.24Å; V327-V334 HydrophobicContact CG1-CG1 3.87Å; V327-N335 CarbonylContact C-O 3.56Å; V327-N335 WeakPolarHBondContact CA-O 3.1Å; V327-I336 HydrophobicContact CG1-CG1 4.37Å; V327-I336 HydrophobicContact CG2-CG1 4.41Å
328	E	98.1	Very high	97.7	Very high	91 Å²	91	43.5 Å²	43.5	43%	0.425	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.2	-175	-67.8	162	-152.3	0	0	109.8	S326 N330 N335	S326-E328 PolarHBondContact OG-OE1 2.94Å; E328-N330 PolarHBondContact O-N 3.1Å; E328-N335 HydrophobicContact CB-CB 4.22Å; E328-N335 PolarHBondContact N-O 3.01Å; E328-N335 PolarHBondContact O-N 3.27Å
329	H	97.8	Very high	97.6	Very high	55 Å²	55	41 Å²	41	26%	0.255	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	93.3	178.7	-61	81.6	0	0	0	110.4	R110 E184	R110-H329 HydrophobicContact CB-CB 4.2Å; R110-H329 HydrophobicContact CG-CB 4.43Å; R110-H329 PolarHBondContact NH2-ND1 3.19Å; R110-H329 VanDerWaalsContact NH2-ND1 3.1Å; E184-H329 IonicContact OE1-CE1 2.91Å; E184-H329 IonicContact OE1-NE2 3.85Å; E184-H329 IonicContact OE2-CD2 3.06Å; E184-H329 IonicContact OE2-CE1 3.97Å; E184-H329 IonicContact OE2-NE2 2.83Å; E184-H329 PolarHBondContact OE2-NE2 3.02Å
330	N	94.8	Very high	97.4	Very high	47 Å²	47	39.6 Å²	39.6	25%	0.251	21%	0.212	S	C	.	.			trans	-79.2	164.1	171.8	-64.4	-49.5	0	0	0	110.7	R110 G111 E328 L332 Y333	R110-N330 CarbonylContact C-O 3.58Å; R110-N330 WeakPolarHBondContact CA-O 3.2Å; G111-N330 PolarHBondContact N-O 2.88Å; G111-N330 VanDerWaalsContact N-O 3.13Å; E328-N330 PolarHBondContact O-N 3.1Å; N330-L332 VanDerWaalsContact C-N 3.27Å; N330-L332 PolarHBondContact O-N 2.64Å; N330-Y333 WeakPolarHBondContact CA-O 3.26Å; N330-Y333 WeakPolarHBondContact CB-O 3.4Å; N330-Y333 PolarHBondContact N-O 3.42Å
331	P	97	Very high	97	Very high	50 Å²	50	43.7 Å²	43.7	33%	0.325	23%	0.225	S	C	.	.	S	Bend	trans	-54.6	-40.5	-179	-30.8	39.1	0	0	0	113.9	Q102 S109 R110 G111	Q102-P331 HydrophobicContact CG-CB 4.09Å; S109-P331 CarbonylContact C-O 3.5Å; R110-P331 PolarHBondContact N-O 2.86Å; G111-P331 PolarHBondContact N-O 2.73Å
332	L	98.4	Very high	96	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.218	C	C	.	.	S	Bend	trans	-99.3	-21	-172.4	-67.4	173.7	0	0	0	115	L98 V101 Q102 N105 V108 G111 H145 N330	L98-L332 HydrophobicContact CD1-CD1 3.58Å; L98-L332 HydrophobicContact CG-CD1 4.08Å; V101-L332 HydrophobicContact CB-CD1 3.84Å; V101-L332 HydrophobicContact CG1-CD1 3.57Å; V101-L332 HydrophobicContact CG1-CD2 4.32Å; Q102-L332 HydrophobicContact CB-CD1 4.13Å; Q102-L332 HydrophobicContact CB-CD2 4.45Å; Q102-L332 HydrophobicContact CB-CG 4.28Å; N105-L332 HydrophobicContact CB-CD2 4.31Å; V108-L332 HydrophobicContact CB-CD2 4.47Å; V108-L332 HydrophobicContact CG1-CD2 4.31Å; G111-L332 WeakPolarHBondContact CA-O 3.39Å; H145-L332 PolarHBondContact CE1-O 3.1Å; H145-L332 PolarHBondContact NE2-O 3.14Å; H145-L332 VanDerWaalsContact NE2-O 3.14Å; N330-L332 VanDerWaalsContact C-N 3.27Å; N330-L332 PolarHBondContact O-N 2.64Å
333	Y	98.6	Very high	94.1	Very high	29 Å²	29	44.3 Å²	44.3	11%	0.114	25%	0.249	C	C	.	.			trans	-158.7	161	179.2	61.2	-84.9	0	0	0	111.4	L98 G111 L137 L141 I157 V159 N330 N335	L98-Y333 HydrophobicContact CD1-CE1 4.48Å; G111-Y333 VanDerWaalsContact CA-CA 3.48Å; L137-Y333 HydrophobicContact CD2-CE1 4.43Å; L141-Y333 HydrophobicContact CD1-CD1 3.58Å; L141-Y333 HydrophobicContact CD1-CE1 3.84Å; L141-Y333 HydrophobicContact CD2-CD1 4.42Å; I157-Y333 CarbonylContact O-C 3.6Å; I157-Y333 WeakPolarHBondContact O-CA 3.5Å; V159-Y333 HydrophobicContact CB-CD2 3.72Å; V159-Y333 HydrophobicContact CB-CE2 4.04Å; V159-Y333 HydrophobicContact CG2-CD2 3.38Å; V159-Y333 HydrophobicContact CG2-CE2 3.95Å; V159-Y333 HydrophobicContact CG2-CG 3.76Å; N330-Y333 WeakPolarHBondContact CA-O 3.26Å; N330-Y333 WeakPolarHBondContact CB-O 3.4Å; N330-Y333 PolarHBondContact N-O 3.42Å; Y333-N335 HydrophobicContact CD2-CB 4.23Å; Y333-N335 HydrophobicContact CE2-CB 3.85Å
334	V	98.7	Very high	91.7	Very high	1 Å²	1	45 Å²	45	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.6	168	-173.7	0	0	0	0	108.3	I157 Y158 V159 V327 I336	I157-V334 PolarHBondContact O-N 3.33Å; Y158-V334 CarbonylContact C-O 3.51Å; Y158-V334 WeakPolarHBondContact CA-O 3.39Å; Y158-V334 HydrophobicContact CD1-CB 3.75Å; Y158-V334 HydrophobicContact CD1-CG1 4.05Å; Y158-V334 HydrophobicContact CD1-CG2 4.27Å; Y158-V334 HydrophobicContact CE1-CB 4Å; Y158-V334 HydrophobicContact CE1-CG1 4.17Å; Y158-V334 HydrophobicContact CE1-CG2 4.06Å; V159-V334 PolarHBondContact N-O 3.15Å; V327-V334 HydrophobicContact CG1-CG1 3.87Å; V334-I336 HydrophobicContact CG1-CG1 4.31Å
335	N	98.6	Very high	91.4	Very high	16 Å²	16	43.8 Å²	43.8	9%	0.086	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.4	175.9	-176.9	7.9	0	0	0	109.7	H161 V327 E328 Y333	H161-N335 VanDerWaalsContact CD2-CG 3.46Å; H161-N335 PolarHBondContact CD2-OD1 3.08Å; H161-N335 PolarHBondContact NE2-OD1 2.88Å; V327-N335 CarbonylContact C-O 3.56Å; V327-N335 WeakPolarHBondContact CA-O 3.1Å; E328-N335 HydrophobicContact CB-CB 4.22Å; E328-N335 PolarHBondContact N-O 3.01Å; E328-N335 PolarHBondContact O-N 3.27Å; Y333-N335 HydrophobicContact CD2-CB 4.23Å; Y333-N335 HydrophobicContact CE2-CB 3.85Å
336	I	98.6	Very high	91.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.9	177.1	-61.8	168.7	0	0	0	107.9	Y158 V159 I160 H161 V176 E180 L324 V327 V334 V338	Y158-I336 HydrophobicContact CD1-CD1 3.78Å; V159-I336 PolarHBondContact O-N 3.26Å; I160-I336 CarbonylContact C-O 3.43Å; I160-I336 WeakPolarHBondContact CA-O 3.45Å; H161-I336 PolarHBondContact N-O 3.21Å; V176-I336 HydrophobicContact CG1-CG2 4.35Å; E180-I336 HydrophobicContact CB-CD1 3.62Å; E180-I336 HydrophobicContact CG-CD1 4.31Å; E180-I336 HydrophobicContact CG-CG2 4.18Å; L324-I336 HydrophobicContact CD1-CG2 3.81Å; V327-I336 HydrophobicContact CG1-CG1 4.37Å; V327-I336 HydrophobicContact CG2-CG1 4.41Å; V334-I336 HydrophobicContact CG1-CG1 4.31Å; I336-V338 HydrophobicContact CG2-CG1 4.08Å
337	T	98.1	Very high	90.8	Very high	28 Å²	28	42.4 Å²	42.4	17%	0.172	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.8	175.9	-57.5	0	0	0	0	110.4	H161 V325 S326	H161-T337 HydrophobicContact CB-CG2 4.42Å; V325-T337 WeakPolarHBondContact CA-O 3.42Å; V325-T337 HydrophobicContact CB-CG2 3.96Å; V325-T337 WeakPolarHBondContact CB-O 3.36Å; V325-T337 HydrophobicContact CG1-CG2 4.22Å; V325-T337 HydrophobicContact CG2-CG2 4.42Å; V325-T337 PolarHBondContact N-O 3.14Å; S326-T337 PolarHBondContact N-O 3Å; S326-T337 PolarHBondContact O-N 2.76Å
338	V	97.8	Very high	90.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.4	178.1	-63	0	0	0	0	113.3	I160 H161 A163 L173 V176 Y322 K323 L324 I336 F340	I160-V338 HydrophobicContact CG2-CG2 4.34Å; H161-V338 PolarHBondContact O-N 3.24Å; A163-V338 WeakPolarHBondContact CB-O 3.42Å; A163-V338 PolarHBondContact N-O 3.47Å; L173-V338 HydrophobicContact CD2-CG2 3.71Å; V176-V338 HydrophobicContact CG1-CG1 3.57Å; V176-V338 HydrophobicContact CG1-CG2 4.3Å; V176-V338 HydrophobicContact CG2-CG2 4.43Å; Y322-V338 HydrophobicContact CD2-CB 4.42Å; Y322-V338 HydrophobicContact CD2-CG1 3.84Å; Y322-V338 HydrophobicContact CE2-CG1 4.39Å; K323-V338 WeakPolarHBondContact O-CA 3.42Å; L324-V338 HydrophobicContact CD1-CG1 4.05Å; I336-V338 HydrophobicContact CG2-CG1 4.08Å; V338-F340 HydrophobicContact CG2-CE1 3.94Å; V338-F340 HydrophobicContact CG2-CZ 3.85Å
339	D	95.5	Very high	89.8	Confident	30 Å²	30	38.6 Å²	38.6	16%	0.16	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.2	172.1	-175.1	-6.1	0	0	0	109.7	A163 K323 V325 W341 S342	A163-D339 HydrophobicContact CB-CB 4.04Å; K323-D339 HydrophobicContact CB-CB 4.42Å; K323-D339 PolarHBondContact N-O 2.9Å; K323-D339 PolarHBondContact O-N 2.98Å; V325-D339 HydrophobicContact CG2-CB 3.99Å; D339-W341 PolarHBondContact OD1-N 2.88Å; D339-S342 VanDerWaalsContact CG-OG 3.22Å; D339-S342 PolarHBondContact OD1-N 3.34Å; D339-S342 WeakPolarHBondContact OD2-CB 3.49Å; D339-S342 PolarHBondContact OD2-N 3.26Å; D339-S342 PolarHBondContact OD2-OG 3.26Å
340	F	94.8	Very high	89.3	Confident	24 Å²	24	37.5 Å²	37.5	11%	0.105	24%	0.244	C	C	.	.	S	Bend	trans	-101.5	0.2	178.2	-59.2	-49	0	0	0	113.8	Q162 K172 L173 V176 W254 V338	Q162-F340 HydrophobicContact CG-CD2 4.02Å; Q162-F340 HydrophobicContact CG-CE2 3.91Å; K172-F340 HydrophobicContact CB-CE2 4.32Å; K172-F340 HydrophobicContact CB-CZ 4.02Å; K172-F340 HydrophobicContact CD-CD1 3.74Å; K172-F340 HydrophobicContact CD-CD2 4.21Å; K172-F340 HydrophobicContact CD-CE1 3.69Å; K172-F340 HydrophobicContact CD-CE2 4.15Å; K172-F340 HydrophobicContact CD-CG 4.01Å; K172-F340 HydrophobicContact CD-CZ 3.9Å; K172-F340 VanDerWaalsContact CE-CD1 3.48Å; K172-F340 HydrophobicContact CG-CD1 4.26Å; K172-F340 HydrophobicContact CG-CE1 3.67Å; K172-F340 HydrophobicContact CG-CE2 4.23Å; K172-F340 HydrophobicContact CG-CZ 3.65Å; L173-F340 HydrophobicContact CD2-CE2 3.83Å; L173-F340 HydrophobicContact CD2-CZ 3.72Å; L173-F340 HydrophobicContact CG-CE2 4.04Å; L173-F340 HydrophobicContact CG-CZ 4.06Å; V176-F340 HydrophobicContact CG2-CE1 3.85Å; V176-F340 HydrophobicContact CG2-CZ 4.19Å; W254-F340 HydrophobicContact CH2-CB 3.84Å; W254-F340 AromaticContact CH2-CD2 3.66Å; W254-F340 HydrophobicContact CH2-CD2 3.66Å; W254-F340 HydrophobicContact CH2-CG 4.01Å; W254-F340 HydrophobicContact CZ3-CD2 4.02Å; V338-F340 HydrophobicContact CG2-CE1 3.94Å; V338-F340 HydrophobicContact CG2-CZ 3.85Å
341	W	88.9	Confident	88.9	Confident	101 Å²	101	36.9 Å²	36.9	38%	0.383	24%	0.244	S	C	.	.	S	Bend	trans	-123.3	-27.3	-170.7	-62	-86.8	0	0	0	114.4	Q162 K166 W254 D339	Q162-W341 HydrophobicContact CG-CH2 4.22Å; Q162-W341 HydrophobicContact CG-CZ3 4.05Å; K166-W341 HydrophobicContact CB-CD2 3.94Å; K166-W341 VanDerWaalsContact CB-CE2 3.49Å; K166-W341 HydrophobicContact CB-CE3 4.11Å; K166-W341 HydrophobicContact CB-CH2 3.54Å; K166-W341 HydrophobicContact CB-CZ2 3.26Å; K166-W341 HydrophobicContact CB-CZ3 3.95Å; K166-W341 HydrophobicContact CG-CD2 3.64Å; K166-W341 HydrophobicContact CG-CE3 4Å; K166-W341 HydrophobicContact CG-CG 4.08Å; K166-W341 HydrophobicContact CG-CH2 4.32Å; K166-W341 HydrophobicContact CG-CZ2 3.94Å; K166-W341 HydrophobicContact CG-CZ3 4.34Å; W254-W341 HydrophobicContact CE3-CH2 4.39Å; W254-W341 AromaticContact CE3-CZ2 3.87Å; W254-W341 HydrophobicContact CE3-CZ2 3.87Å; W254-W341 AromaticContact CH2-CH2 3.85Å; W254-W341 HydrophobicContact CH2-CH2 3.85Å; W254-W341 AromaticContact CH2-CZ2 3.48Å; W254-W341 HydrophobicContact CH2-CZ2 3.48Å; W254-W341 VanDerWaalsContact CH2-CZ2 3.48Å; W254-W341 HydrophobicContact CZ2-CZ2 4.47Å; W254-W341 AromaticContact CZ3-CH2 3.41Å; W254-W341 HydrophobicContact CZ3-CH2 3.41Å; W254-W341 VanDerWaalsContact CZ3-CH2 3.41Å; W254-W341 AromaticContact CZ3-CZ2 3.12Å; W254-W341 HydrophobicContact CZ3-CZ2 3.12Å; D339-W341 PolarHBondContact OD1-N 2.88Å
342	S	76.9	Confident	88.3	Confident	36 Å²	36	35.8 Å²	35.8	25%	0.252	24%	0.238	S	C	.	.	S	Bend	trans	-79	129.8	167.6	60.8	0	0	0	0	109.7	K323 D339 A344	K323-S342 WeakPolarHBondContact CD-OG 3.39Å; D339-S342 VanDerWaalsContact CG-OG 3.22Å; D339-S342 PolarHBondContact OD1-N 3.34Å; D339-S342 WeakPolarHBondContact OD2-CB 3.49Å; D339-S342 PolarHBondContact OD2-N 3.26Å; D339-S342 PolarHBondContact OD2-OG 3.26Å; S342-A344 PolarHBondContact O-N 3.14Å
343	G	56.4	Low	87.5	Confident	80 Å²	80	38.7 Å²	38.7	83%	0.825	26%	0.257	S	S	*	.			trans	-38.4	126.5	-163.2	0	0	0	0	0	115
344	A	46.7	Very low	86.4	Confident	117 Å²	117	39.5 Å²	39.5	97%	0.967	27%	0.27	S	S	*	.			trans	-114.7	0	174.8	0	0	0	0	0	110.3	S321 S342	S321-A344 WeakPolarHBondContact OG-CB 3.35Å; S342-A344 PolarHBondContact O-N 3.14Å

Retrieved 344 of 344 residues in 100.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).