A0A077Z879_TRITR Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A077Z879, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 362 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	28	Very low	33.2	Very low	191 Å²	191	86.5 Å²	86.5	94%	0.941	49%	0.492	S	S	*	.				0	114.2	0	-70	172.9	169.7	0	0	106.7
2	A	23.9	Very low	33	Very low	74 Å²	74	92.1 Å²	92.1	61%	0.612	51%	0.51	S	S	*	.			cis	-104	123.7	1.9	0	0	0	0	0	110.6	Q4	A2-Q4 PolarHBondContact O-N 2.86Å
3	V	31.1	Very low	32.9	Very low	44 Å²	44	99.4 Å²	99.4	27%	0.267	54%	0.538	S	S	.	.			trans	-76.8	95.8	142.2	176.5	0	0	0	0	101.7	Q5 S61	V3-Q5 PolarHBondContact O-N 2.92Å; V3-S61 WeakPolarHBondContact CB-OG 3.27Å; V3-S61 WeakPolarHBondContact CG1-OG 3.3Å
4	Q	29.4	Very low	32.9	Very low	167 Å²	167	103.9 Å²	103.9	78%	0.78	55%	0.553	S	S	*	*			trans	-45.6	115.4	165.9	-96.3	168.4	-37.1	0	0	105.1	A2 P6	A2-Q4 PolarHBondContact O-N 2.86Å; Q4-P6 WeakPolarHBondContact O-CD 3.44Å; Q4-P6 WeakPolarHBondContact O-CG 3.11Å
5	Q	39.9	Very low	33	Very low	73 Å²	73	108.4 Å²	108.4	34%	0.341	57%	0.569	S	S	.	*			trans	-70.6	101.4	178.8	-72.2	-171.5	-32.9	0	0	105.6	V3 F7 A8 H58	V3-Q5 PolarHBondContact O-N 2.92Å; Q5-F7 PolarHBondContact O-N 2.99Å; Q5-A8 HydrophobicContact CB-CB 4.27Å; Q5-A8 PolarHBondContact O-N 3.11Å; Q5-H58 PolarHBondContact NE2-CE1 2.83Å; Q5-H58 PolarHBondContact NE2-ND1 3.42Å; Q5-H58 PolarHBondContact NE2-NE2 2.04Å; Q5-H58 PolarHBondContact OE1-CE1 2.89Å
6	P	35.5	Very low	33	Very low	44 Å²	44	111.7 Å²	111.7	29%	0.286	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.7	-19.1	179.3	-9	30.8	0	0	0	109.4	Q4 I35 L39	Q4-P6 WeakPolarHBondContact O-CD 3.44Å; Q4-P6 WeakPolarHBondContact O-CG 3.11Å; P6-I35 HydrophobicContact CB-CB 4.4Å; P6-I35 HydrophobicContact CB-CG1 4.5Å; P6-I35 HydrophobicContact CB-CG2 3.18Å; P6-I35 HydrophobicContact CG-CG2 4.05Å; P6-L39 HydrophobicContact CG-CD1 4.19Å; P6-L39 HydrophobicContact CG-CD2 3.8Å; P6-L39 HydrophobicContact CG-CG 4.45Å
7	F	43.9	Very low	33.1	Very low	4 Å²	4	115.2 Å²	115.2	2%	0.018	59%	0.592	C	S	.	*	T	Hydrogen-bonded Turn	trans	-112.3	60.3	176.3	-52	-73.6	0	0	0	108.8	Q5 F9 L27 V32 I35 P54 M57 H58	Q5-F7 PolarHBondContact O-N 2.99Å; F7-F9 VanDerWaalsContact C-N 3.27Å; F7-F9 HydrophobicContact CB-CD2 4.29Å; F7-F9 HydrophobicContact CB-CE2 3.96Å; F7-F9 PolarHBondContact O-N 2.98Å; F7-F9 VanDerWaalsContact O-N 3.12Å; F7-L27 HydrophobicContact CD1-CD1 3.72Å; F7-L27 HydrophobicContact CE1-CD1 4.12Å; F7-V32 HydrophobicContact CE1-CG1 4.18Å; F7-V32 HydrophobicContact CE1-CG2 4.32Å; F7-V32 HydrophobicContact CZ-CG1 4.28Å; F7-I35 HydrophobicContact CD2-CG2 4.48Å; F7-I35 HydrophobicContact CE1-CD1 4.43Å; F7-I35 HydrophobicContact CE1-CG2 3.86Å; F7-I35 HydrophobicContact CE2-CG2 3.71Å; F7-I35 HydrophobicContact CZ-CB 4.29Å; F7-I35 HydrophobicContact CZ-CG2 3.36Å; F7-P54 HydrophobicContact CD1-CB 4.39Å; F7-P54 HydrophobicContact CE1-CB 3.93Å; F7-P54 HydrophobicContact CZ-CB 4.29Å; F7-M57 HydrophobicContact CD2-CB 3.85Å; F7-M57 HydrophobicContact CE2-CB 3.94Å; F7-M57 HydrophobicContact CE2-CG 4.38Å; F7-H58 PolarHBondContact O-ND1 3.36Å; F7-H58 VanDerWaalsContact O-ND1 3.13Å
8	A	34.5	Very low	33.2	Very low	58 Å²	58	118.4 Å²	118.4	48%	0.479	60%	0.604	S	S	.	*			trans	-76.2	88.3	162.4	0	0	0	0	0	107.3	Q5 T10	Q5-A8 HydrophobicContact CB-CB 4.27Å; Q5-A8 PolarHBondContact O-N 3.11Å; A8-T10 PolarHBondContact O-N 3.45Å
9	F	36.5	Very low	33.2	Very low	75 Å²	75	120.9 Å²	120.9	33%	0.329	61%	0.613	S	S	.	*			trans	-74.5	101.2	158.7	-64	-78.7	0	0	0	105.9	F7 T11 L27	F7-F9 VanDerWaalsContact C-N 3.27Å; F7-F9 HydrophobicContact CB-CD2 4.29Å; F7-F9 HydrophobicContact CB-CE2 3.96Å; F7-F9 PolarHBondContact O-N 2.98Å; F7-F9 VanDerWaalsContact O-N 3.12Å; F9-T11 PolarHBondContact O-N 2.04Å; F9-L27 HydrophobicContact CE1-CD1 4.37Å; F9-L27 HydrophobicContact CZ-CD1 4.11Å
10	T	30.2	Very low	33.1	Very low	104 Å²	104	119.3 Å²	119.3	64%	0.638	61%	0.613	S	S	*	*			trans	-69.3	93.4	174.6	37.1	0	0	0	0	109	A8 H12	A8-T10 PolarHBondContact O-N 3.45Å; T10-H12 PolarHBondContact O-N 3.22Å; T10-H12 VanDerWaalsContact O-N 3.16Å
11	T	32.6	Very low	33.3	Very low	118 Å²	118	123.2 Å²	123.2	72%	0.724	62%	0.621	S	S	*	*			trans	-74.1	96.9	158.1	52.4	0	0	0	0	107.1	F9 H13	F9-T11 PolarHBondContact O-N 2.04Å; T11-H13 PolarHBondContact O-N 3.47Å
12	H	30.4	Very low	33.5	Very low	153 Å²	153	122.2 Å²	122.2	71%	0.708	61%	0.614	S	S	*	*			trans	-62.5	107.3	168.4	-96.1	-78.3	0	0	0	108.7	T10 H14	T10-H12 PolarHBondContact O-N 3.22Å; T10-H12 VanDerWaalsContact O-N 3.16Å; H12-H14 VanDerWaalsContact C-N 3.32Å; H12-H14 PolarHBondContact O-N 3.25Å; H12-H14 VanDerWaalsContact O-N 3.11Å
13	H	31.3	Very low	34.2	Very low	187 Å²	187	127.2 Å²	127.2	87%	0.866	63%	0.625	S	S	*	*			trans	-75.5	90	161	-95.1	-35.5	0	0	0	108.2	T11	T11-H13 PolarHBondContact O-N 3.47Å
14	H	33.5	Very low	35.2	Very low	163 Å²	163	129.8 Å²	129.8	76%	0.755	64%	0.641	S	S	*	*			trans	-90.7	122.7	160.9	-98.9	-60.9	0	0	0	109.7	H12	H12-H14 VanDerWaalsContact C-N 3.32Å; H12-H14 PolarHBondContact O-N 3.25Å; H12-H14 VanDerWaalsContact O-N 3.11Å
15	H	34.2	Very low	36.4	Very low	171 Å²	171	129.1 Å²	129.1	79%	0.792	64%	0.642	S	S	*	*			trans	-53.7	137.2	163.8	-91.2	-78.9	0	0	0	110.8
16	H	33.9	Very low	37.6	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.745	66%	0.661	S	S	*	*	S	Bend	trans	38.1	97.1	156	-72.4	-75.8	0	0	0	117.9
17	H	33.4	Very low	39.2	Very low	171 Å²	171	132 Å²	132	79%	0.792	66%	0.663	S	S	*	*				149.9	131.5	128.5	-91.3	-85.3	0	0	0	110.8
18	H	35.6	Very low	40.8	Very low	174 Å²	174	135.3 Å²	135.3	81%	0.806	69%	0.686	S	S	*	*			trans	66.4	121.1	170.3	-83.2	-90	0	0	0	119.2	S20	H18-S20 PolarHBondContact O-N 3.01Å; H18-S20 VanDerWaalsContact O-N 3.09Å
19	H	32.7	Very low	43.2	Very low	166 Å²	166	135 Å²	135	77%	0.769	69%	0.689	S	S	*	*			trans	-51.8	105.2	166.8	-98.9	-85.7	0	0	0	111.6	Y21	H19-Y21 AromaticContact CE1-CE2 3.87Å; H19-Y21 AromaticContact ND1-CD2 3.97Å; H19-Y21 AromaticContact ND1-CE2 3.53Å
20	S	31.7	Very low	45.6	Very low	87 Å²	87	134.5 Å²	134.5	61%	0.608	70%	0.695	S	S	*	*			trans	-125.3	104.7	153.7	42.2	0	0	0	0	108.1	H18 H22	H18-S20 PolarHBondContact O-N 3.01Å; H18-S20 VanDerWaalsContact O-N 3.09Å; S20-H22 VanDerWaalsContact C-N 3.27Å; S20-H22 PolarHBondContact O-N 3.19Å
21	Y	36.4	Very low	48.5	Very low	203 Å²	203	133.2 Å²	133.2	80%	0.796	68%	0.684	S	S	*	*			trans	-67	87.7	168.5	-84.7	-88.2	0	0	0	108.3	H19 Q23	H19-Y21 AromaticContact CE1-CE2 3.87Å; H19-Y21 AromaticContact ND1-CD2 3.97Å; H19-Y21 AromaticContact ND1-CE2 3.53Å; Y21-Q23 PolarHBondContact O-N 3.26Å; Y21-Q23 VanDerWaalsContact O-N 3.13Å
22	H	32.3	Very low	51.3	Low	169 Å²	169	128 Å²	128	78%	0.782	65%	0.652	S	S	*	*			trans	-73.3	102.1	164.7	-85.5	-70.2	0	0	0	108.6	S20 T24	S20-H22 VanDerWaalsContact C-N 3.27Å; S20-H22 PolarHBondContact O-N 3.19Å; H22-T24 PolarHBondContact O-N 3.34Å; H22-T24 VanDerWaalsContact O-N 3.11Å
23	Q	39.8	Very low	54.3	Low	179 Å²	179	123.1 Å²	123.1	84%	0.836	63%	0.633	S	S	*	*			trans	-62	106.5	165.8	-75.3	174.9	-18.5	0	0	108.5	Y21 L25	Y21-Q23 PolarHBondContact O-N 3.26Å; Y21-Q23 VanDerWaalsContact O-N 3.13Å; Q23-L25 PolarHBondContact O-N 3.28Å
24	T	51.7	Low	57.2	Low	98 Å²	98	123 Å²	123	60%	0.601	63%	0.625	S	S	*	*			trans	-63.9	115.3	163	50.8	0	0	0	0	107.7	H22	H22-T24 PolarHBondContact O-N 3.34Å; H22-T24 VanDerWaalsContact O-N 3.11Å
25	L	54.3	Low	60	Low	154 Å²	154	116.5 Å²	116.5	81%	0.806	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-58.2	134.7	176.2	-89.4	97.8	0	0	0	109.8	Q23 L27	Q23-L25 PolarHBondContact O-N 3.28Å; L25-L27 PolarHBondContact O-N 3.26Å
26	P	65.6	Low	62.9	Low	115 Å²	115	108.3 Å²	108.3	75%	0.747	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-59.4	132.4	173.6	24	-31.2	0	0	0	109.3	S28	P26-S28 PolarHBondContact O-N 3.39Å
27	L	68	Low	65.7	Low	61 Å²	61	105.3 Å²	105.3	32%	0.319	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-54.3	133.6	172.8	-68.5	167.2	0	0	0	108.8	F7 F9 L25 G29 L31 V32	F7-L27 HydrophobicContact CD1-CD1 3.72Å; F7-L27 HydrophobicContact CE1-CD1 4.12Å; F9-L27 HydrophobicContact CE1-CD1 4.37Å; F9-L27 HydrophobicContact CZ-CD1 4.11Å; L25-L27 PolarHBondContact O-N 3.26Å; L27-G29 PolarHBondContact O-N 2.99Å; L27-L31 HydrophobicContact CD2-CD2 3.77Å; L27-V32 HydrophobicContact CB-CG2 3.66Å; L27-V32 HydrophobicContact CD1-CG2 4.35Å
28	S	78.7	Confident	68.5	Low	74 Å²	74	100.9 Å²	100.9	52%	0.517	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-53.6	136.7	174.3	175.2	0	0	0	0	110.2	P26 S30 L31 V32	P26-S28 PolarHBondContact O-N 3.39Å; S28-S30 PolarHBondContact O-N 3.19Å; S28-S30 VanDerWaalsContact O-N 3.08Å; S28-S30 PolarHBondContact OG-OG 3.25Å; S28-L31 WeakPolarHBondContact O-CB 3.45Å; S28-L31 PolarHBondContact O-N 3.38Å; S28-V32 PolarHBondContact O-N 2Å; S28-V32 VanDerWaalsContact O-N 3.07Å
29	G	84.5	Confident	70.9	Confident	52 Å²	52	93.3 Å²	93.3	54%	0.536	50%	0.497	S	S	.	.	H	α-helix	trans	-56.2	-29.1	-178.5	0	0	0	0	0	113.4	L27 T33	L27-G29 PolarHBondContact O-N 2.99Å; G29-T33 WeakPolarHBondContact O-CB 3.38Å; G29-T33 PolarHBondContact O-N 3.34Å; G29-T33 PolarHBondContact O-OG1 2.81Å
30	S	87.9	Confident	73.5	Confident	65 Å²	65	92 Å²	92	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-69.1	-38.6	175.1	67.4	0	0	0	0	112.4	S28 T33 R34	S28-S30 PolarHBondContact O-N 3.19Å; S28-S30 VanDerWaalsContact O-N 3.08Å; S28-S30 PolarHBondContact OG-OG 3.25Å; S30-T33 PolarHBondContact O-N 2.9Å; S30-R34 WeakPolarHBondContact O-CG 3.04Å; S30-R34 PolarHBondContact O-N 3.46Å
31	L	91.1	Very high	75.9	Confident	76 Å²	76	91.7 Å²	91.7	40%	0.398	48%	0.482	S	S	.	.	H	α-helix	trans	-68.7	-45.2	176.6	179	58.8	0	0	0	110.9	L27 S28 T33 R34 I35	L27-L31 HydrophobicContact CD2-CD2 3.77Å; S28-L31 WeakPolarHBondContact O-CB 3.45Å; S28-L31 PolarHBondContact O-N 3.38Å; L31-T33 VanDerWaalsContact C-N 3.27Å; L31-T33 PolarHBondContact O-N 2.9Å; L31-R34 PolarHBondContact O-N 2.91Å; L31-I35 HydrophobicContact CD1-CD1 4.02Å; L31-I35 HydrophobicContact CD1-CG1 4.26Å; L31-I35 HydrophobicContact CG-CD1 3.87Å; L31-I35 WeakPolarHBondContact O-CB 3.07Å; L31-I35 VanDerWaalsContact O-CG1 3.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.5Å; L31-I35 PolarHBondContact O-N 2.91Å
32	V	90.9	Very high	78.4	Confident	9 Å²	9	82.6 Å²	82.6	6%	0.055	45%	0.447	C	S	.	.	H	α-helix	trans	-55.4	-45.9	174.1	173.5	0	0	0	0	110.8	F7 L27 S28 I35 C36 P54	F7-V32 HydrophobicContact CE1-CG1 4.18Å; F7-V32 HydrophobicContact CE1-CG2 4.32Å; F7-V32 HydrophobicContact CZ-CG1 4.28Å; L27-V32 HydrophobicContact CB-CG2 3.66Å; L27-V32 HydrophobicContact CD1-CG2 4.35Å; S28-V32 PolarHBondContact O-N 2Å; S28-V32 VanDerWaalsContact O-N 3.07Å; V32-I35 WeakPolarHBondContact O-CB 2.86Å; V32-I35 PolarHBondContact O-N 2.82Å; V32-C36 WeakPolarHBondContact O-CB 3.32Å; V32-C36 PolarHBondContact O-N 3.35Å; V32-C36 PolarHBondContact O-SG 2.97Å; V32-P54 HydrophobicContact CG1-CB 3.72Å; V32-P54 HydrophobicContact CG1-CG 4.18Å; V32-P54 HydrophobicContact CG2-CB 4.29Å
33	T	92.7	Very high	81.2	Confident	51 Å²	51	76.2 Å²	76.2	31%	0.313	42%	0.419	S	S	.	.	H	α-helix	trans	-60.3	-50	178.8	-59.3	0	0	0	0	111.4	G29 S30 L31 I35 C36 H37 I51	G29-T33 WeakPolarHBondContact O-CB 3.38Å; G29-T33 PolarHBondContact O-N 3.34Å; G29-T33 PolarHBondContact O-OG1 2.81Å; S30-T33 PolarHBondContact O-N 2.9Å; L31-T33 VanDerWaalsContact C-N 3.27Å; L31-T33 PolarHBondContact O-N 2.9Å; T33-I35 VanDerWaalsContact C-N 3.31Å; T33-I35 PolarHBondContact O-N 2.86Å; T33-C36 PolarHBondContact O-N 2.56Å; T33-H37 WeakPolarHBondContact O-CB 3.07Å; T33-H37 PolarHBondContact O-CD2 3.22Å; T33-H37 PolarHBondContact O-N 3.28Å; T33-I51 HydrophobicContact CG2-CD1 4.09Å
34	R	93.4	Very high	83.8	Confident	184 Å²	184	73.4 Å²	73.4	69%	0.694	41%	0.41	S	S	*	.	H	α-helix	trans	-58.6	-44.1	177.5	-71	179.2	-161.8	178.2	5	112.2	S30 L31 H37 S38	S30-R34 WeakPolarHBondContact O-CG 3.04Å; S30-R34 PolarHBondContact O-N 3.46Å; L31-R34 PolarHBondContact O-N 2.91Å; R34-H37 PolarHBondContact O-N 3.03Å; R34-S38 PolarHBondContact O-N 2.99Å
35	I	92.3	Very high	85.9	Confident	26 Å²	26	69 Å²	69	13%	0.133	38%	0.382	C	S	.	.	H	α-helix	trans	-58.7	-52.1	176.6	-78.4	170.6	0	0	0	110.9	P6 F7 L31 V32 T33 H37 S38 L39	P6-I35 HydrophobicContact CB-CB 4.4Å; P6-I35 HydrophobicContact CB-CG1 4.5Å; P6-I35 HydrophobicContact CB-CG2 3.18Å; P6-I35 HydrophobicContact CG-CG2 4.05Å; F7-I35 HydrophobicContact CD2-CG2 4.48Å; F7-I35 HydrophobicContact CE1-CD1 4.43Å; F7-I35 HydrophobicContact CE1-CG2 3.86Å; F7-I35 HydrophobicContact CE2-CG2 3.71Å; F7-I35 HydrophobicContact CZ-CB 4.29Å; F7-I35 HydrophobicContact CZ-CG2 3.36Å; L31-I35 HydrophobicContact CD1-CD1 4.02Å; L31-I35 HydrophobicContact CD1-CG1 4.26Å; L31-I35 HydrophobicContact CG-CD1 3.87Å; L31-I35 WeakPolarHBondContact O-CB 3.07Å; L31-I35 VanDerWaalsContact O-CG1 3.32Å; L31-I35 WeakPolarHBondContact O-CG1 3.5Å; L31-I35 PolarHBondContact O-N 2.91Å; V32-I35 WeakPolarHBondContact O-CB 2.86Å; V32-I35 PolarHBondContact O-N 2.82Å; T33-I35 VanDerWaalsContact C-N 3.31Å; T33-I35 PolarHBondContact O-N 2.86Å; I35-H37 VanDerWaalsContact C-N 3.28Å; I35-H37 PolarHBondContact O-N 2.76Å; I35-S38 PolarHBondContact O-N 3.4Å; I35-S38 PolarHBondContact O-OG 3.49Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å
36	C	93.4	Very high	87.8	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-35.3	-178.7	-68.8	0	0	0	0	112.2	V32 T33 L39 C50 I51	V32-C36 WeakPolarHBondContact O-CB 3.32Å; V32-C36 PolarHBondContact O-N 3.35Å; V32-C36 PolarHBondContact O-SG 2.97Å; T33-C36 PolarHBondContact O-N 2.56Å; C36-L39 PolarHBondContact O-N 2.78Å; C36-C50 VanDerWaalsContact CA-SG 3.56Å; C36-C50 HydrophobicContact CB-CB 3.72Å; C36-C50 WeakPolarHBondContact CB-SG 3.33Å; C36-C50 WeakPolarHBondContact SG-CB 3.5Å; C36-C50 PolarHBondContact SG-O 2.77Å; C36-C50 CovalentContact SG-SG 2.04Å; C36-C50 PolarHBondContact SG-SG 3.06Å; C36-I51 HydrophobicContact CB-CD1 4.44Å; C36-I51 HydrophobicContact CB-CG1 3.71Å; C36-I51 PolarHBondContact SG-N 2.93Å
37	H	93.2	Very high	89.2	Confident	97 Å²	97	58.9 Å²	58.9	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-71.2	-31.5	176.8	-84.3	-78.1	0	0	0	113.5	T33 R34 I35 L39 K47	T33-H37 WeakPolarHBondContact O-CB 3.07Å; T33-H37 PolarHBondContact O-CD2 3.22Å; T33-H37 PolarHBondContact O-N 3.28Å; R34-H37 PolarHBondContact O-N 3.03Å; I35-H37 VanDerWaalsContact C-N 3.28Å; I35-H37 PolarHBondContact O-N 2.76Å; H37-L39 PolarHBondContact O-N 3.39Å; H37-K47 PolarHBondContact O-NZ 3.44Å
38	S	91.5	Very high	90.5	Very high	79 Å²	79	61 Å²	61	55%	0.552	32%	0.324	S	S	*	.	H	α-helix	trans	-71.2	-15.7	177.7	74	0	0	0	0	113.5	R34 I35 N40	R34-S38 PolarHBondContact O-N 2.99Å; I35-S38 PolarHBondContact O-N 3.4Å; I35-S38 PolarHBondContact O-OG 3.49Å; S38-N40 VanDerWaalsContact C-N 3.33Å; S38-N40 PolarHBondContact O-N 2.85Å
39	L	87.9	Confident	91.3	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.079	30%	0.303	C	S	.	.			trans	-75.8	82.5	173.1	-55.7	-178.1	0	0	0	110.6	P6 I35 C36 H37 Y41 L42 K47	P6-L39 HydrophobicContact CG-CD1 4.19Å; P6-L39 HydrophobicContact CG-CD2 3.8Å; P6-L39 HydrophobicContact CG-CG 4.45Å; I35-L39 WeakPolarHBondContact O-CG 3.3Å; C36-L39 PolarHBondContact O-N 2.78Å; H37-L39 PolarHBondContact O-N 3.39Å; L39-Y41 HydrophobicContact CB-CD1 4.47Å; L39-Y41 HydrophobicContact CB-CE1 3.95Å; L39-Y41 HydrophobicContact CB-CE2 4.41Å; L39-Y41 HydrophobicContact CD2-CE1 3.79Å; L39-Y41 WeakPolarHBondContact CD2-OH 3.25Å; L39-Y41 HydrophobicContact CG-CE1 4.36Å; L39-Y41 PolarHBondContact O-N 3.46Å; L39-Y41 VanDerWaalsContact O-N 3.15Å; L39-L42 HydrophobicContact CB-CB 4.42Å; L39-L42 HydrophobicContact CB-CD1 3.89Å; L39-L42 HydrophobicContact CB-CG 3.9Å; L39-L42 HydrophobicContact CD1-CD1 3.62Å; L39-L42 HydrophobicContact CD1-CG 4.34Å; L39-L42 HydrophobicContact CG-CD1 4.4Å; L39-L42 PolarHBondContact O-N 2.83Å; L39-K47 VanDerWaalsContact O-CE 3.25Å; L39-K47 WeakPolarHBondContact O-CE 3.04Å
40	N	85.6	Confident	91.8	Very high	137 Å²	137	55.7 Å²	55.7	73%	0.733	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.6	-176	-69.7	-25	0	0	0	114.4	S38 L42	S38-N40 VanDerWaalsContact C-N 3.33Å; S38-N40 PolarHBondContact O-N 2.85Å; N40-L42 VanDerWaalsContact C-N 3.3Å
41	Y	82.6	Confident	92.1	Very high	81 Å²	81	55.3 Å²	55.3	32%	0.318	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.3	176	59.6	-96.5	0	0	0	114.1	L39	L39-Y41 HydrophobicContact CB-CD1 4.47Å; L39-Y41 HydrophobicContact CB-CE1 3.95Å; L39-Y41 HydrophobicContact CB-CE2 4.41Å; L39-Y41 HydrophobicContact CD2-CE1 3.79Å; L39-Y41 WeakPolarHBondContact CD2-OH 3.25Å; L39-Y41 HydrophobicContact CG-CE1 4.36Å; L39-Y41 PolarHBondContact O-N 3.46Å; L39-Y41 VanDerWaalsContact O-N 3.15Å
42	L	89.8	Confident	92.3	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.063	27%	0.274	C	S	.	.	S	Bend	trans	-88.8	133.7	173.5	-63.6	-172.9	0	0	0	110.3	L39 N40 Q46 K47 C50 M57 F178	L39-L42 HydrophobicContact CB-CB 4.42Å; L39-L42 HydrophobicContact CB-CD1 3.89Å; L39-L42 HydrophobicContact CB-CG 3.9Å; L39-L42 HydrophobicContact CD1-CD1 3.62Å; L39-L42 HydrophobicContact CD1-CG 4.34Å; L39-L42 HydrophobicContact CG-CD1 4.4Å; L39-L42 PolarHBondContact O-N 2.83Å; N40-L42 VanDerWaalsContact C-N 3.3Å; L42-Q46 HydrophobicContact CB-CB 3.94Å; L42-Q46 HydrophobicContact CD1-CB 4.43Å; L42-Q46 HydrophobicContact CD2-CB 3.99Å; L42-Q46 HydrophobicContact CG-CB 4.33Å; L42-K47 HydrophobicContact CB-CG 3.82Å; L42-K47 VanDerWaalsContact O-CE 3.24Å; L42-K47 WeakPolarHBondContact O-CE 3.32Å; L42-C50 HydrophobicContact CD1-CB 4.34Å; L42-M57 HydrophobicContact CD1-CE 3.98Å; L42-F178 HydrophobicContact CD2-CZ 4.25Å
43	N	91.2	Very high	92.4	Very high	35 Å²	35	56.6 Å²	56.6	19%	0.187	28%	0.283	C	S	.	.			trans	-73.3	166.5	168.1	66.8	60.7	0	0	0	111.3	Q45 Q46 K47 H182	N43-Q45 PolarHBondContact O-N 2.02Å; N43-Q45 VanDerWaalsContact O-N 3.11Å; N43-Q45 WeakPolarHBondContact OD1-CA 3.19Å; N43-Q45 VanDerWaalsContact OD1-CB 3.32Å; N43-Q45 WeakPolarHBondContact OD1-CB 3.06Å; N43-Q45 PolarHBondContact OD1-N 3.47Å; N43-Q46 PolarHBondContact ND2-OE1 3.26Å; N43-Q46 WeakPolarHBondContact O-CA 3.46Å; N43-Q46 WeakPolarHBondContact O-CB 3.45Å; N43-Q46 PolarHBondContact O-N 2.85Å; N43-Q46 PolarHBondContact OD1-N 2.04Å; N43-K47 PolarHBondContact O-N 3.47Å; N43-H182 PolarHBondContact ND2-CD2 3.42Å
44	D	93.8	Very high	92.4	Very high	121 Å²	121	55.8 Å²	55.8	65%	0.647	28%	0.278	S	S	*	.	H	α-helix	trans	-59.7	-28.4	-175.5	-60.5	-33.4	0	0	0	114.4	R48	D44-R48 WeakPolarHBondContact O-CG 3.35Å; D44-R48 PolarHBondContact O-N 2.81Å; D44-R48 VanDerWaalsContact O-N 3.15Å; D44-R48 PolarHBondContact O-NE 2.88Å
45	Q	94.7	Very high	92.2	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.023	25%	0.251	C	S	.	.	H	α-helix	trans	-71.1	-43.9	173.9	168.4	64.1	32.2	0	0	111	N43 K47 R48 M49 E177 R181 H182	N43-Q45 PolarHBondContact O-N 2.02Å; N43-Q45 VanDerWaalsContact O-N 3.11Å; N43-Q45 WeakPolarHBondContact OD1-CA 3.19Å; N43-Q45 VanDerWaalsContact OD1-CB 3.32Å; N43-Q45 WeakPolarHBondContact OD1-CB 3.06Å; N43-Q45 PolarHBondContact OD1-N 3.47Å; Q45-K47 VanDerWaalsContact C-N 3.35Å; Q45-R48 PolarHBondContact O-N 3.3Å; Q45-M49 WeakPolarHBondContact O-CG 3Å; Q45-M49 PolarHBondContact O-N 3.47Å; Q45-E177 PolarHBondContact NE2-O 2.94Å; Q45-E177 VanDerWaalsContact NE2-O 3.1Å; Q45-E177 PolarHBondContact NE2-OE1 3.43Å; Q45-R181 HydrophobicContact CG-CB 3.99Å; Q45-R181 HydrophobicContact CG-CG 4.28Å; Q45-H182 HydrophobicContact CB-CB 4.29Å
46	Q	95	Very high	92.2	Very high	29 Å²	29	46.6 Å²	46.6	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-35.9	176.7	-69	169.7	-31.9	0	0	112	L42 N43 M49 C50 F178	L42-Q46 HydrophobicContact CB-CB 3.94Å; L42-Q46 HydrophobicContact CD1-CB 4.43Å; L42-Q46 HydrophobicContact CD2-CB 3.99Å; L42-Q46 HydrophobicContact CG-CB 4.33Å; N43-Q46 PolarHBondContact ND2-OE1 3.26Å; N43-Q46 WeakPolarHBondContact O-CA 3.46Å; N43-Q46 WeakPolarHBondContact O-CB 3.45Å; N43-Q46 PolarHBondContact O-N 2.85Å; N43-Q46 PolarHBondContact OD1-N 2.04Å; Q46-M49 PolarHBondContact O-N 2.86Å; Q46-C50 WeakPolarHBondContact O-CB 3.33Å; Q46-C50 PolarHBondContact O-N 3.16Å; Q46-F178 HydrophobicContact CB-CD2 4.43Å; Q46-F178 HydrophobicContact CB-CE2 3.82Å; Q46-F178 HydrophobicContact CB-CZ 4Å; Q46-F178 HydrophobicContact CG-CD1 4.36Å; Q46-F178 HydrophobicContact CG-CD2 4.17Å; Q46-F178 HydrophobicContact CG-CE1 4.03Å; Q46-F178 HydrophobicContact CG-CE2 3.83Å; Q46-F178 HydrophobicContact CG-CG 4.41Å; Q46-F178 HydrophobicContact CG-CZ 3.75Å; Q46-F178 WeakPolarHBondContact CG-O 3.26Å
47	K	95	Very high	92.2	Very high	28 Å²	28	47.3 Å²	47.3	12%	0.122	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-44.5	172.3	-70.5	-178.9	173.2	174.2	0	111.5	H37 L39 L42 N43 Q45 M49 C50 I51	H37-K47 PolarHBondContact O-NZ 3.44Å; L39-K47 VanDerWaalsContact O-CE 3.25Å; L39-K47 WeakPolarHBondContact O-CE 3.04Å; L42-K47 HydrophobicContact CB-CG 3.82Å; L42-K47 VanDerWaalsContact O-CE 3.24Å; L42-K47 WeakPolarHBondContact O-CE 3.32Å; N43-K47 PolarHBondContact O-N 3.47Å; Q45-K47 VanDerWaalsContact C-N 3.35Å; K47-M49 PolarHBondContact O-N 3.25Å; K47-C50 WeakPolarHBondContact O-CB 3.47Å; K47-C50 PolarHBondContact O-N 3.32Å; K47-I51 WeakPolarHBondContact O-CG1 2.95Å; K47-I51 PolarHBondContact O-N 2.89Å
48	R	95.7	Very high	92.1	Very high	106 Å²	106	45.3 Å²	45.3	40%	0.4	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-42.2	173.6	-77.4	-174.2	-73.4	117.5	1.4	112.6	D44 Q45 C50 I51 A52	D44-R48 WeakPolarHBondContact O-CG 3.35Å; D44-R48 PolarHBondContact O-N 2.81Å; D44-R48 VanDerWaalsContact O-N 3.15Å; D44-R48 PolarHBondContact O-NE 2.88Å; Q45-R48 PolarHBondContact O-N 3.3Å; R48-C50 VanDerWaalsContact C-N 3.34Å; R48-I51 PolarHBondContact O-N 3.36Å; R48-A52 WeakPolarHBondContact O-CB 3.29Å; R48-A52 PolarHBondContact O-N 2.61Å
49	M	95	Very high	92.3	Very high	14 Å²	14	42 Å²	42	7%	0.069	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-39.9	174.2	-74.6	-67.3	-72.6	0	0	112.4	Q45 Q46 K47 I51 A52 H53 F174 E177 F178	Q45-M49 WeakPolarHBondContact O-CG 3Å; Q45-M49 PolarHBondContact O-N 3.47Å; Q46-M49 PolarHBondContact O-N 2.86Å; K47-M49 PolarHBondContact O-N 3.25Å; M49-I51 VanDerWaalsContact C-N 3.34Å; M49-I51 PolarHBondContact O-N 3.14Å; M49-A52 PolarHBondContact O-N 3.48Å; M49-H53 PolarHBondContact O-N 3.27Å; M49-F174 HydrophobicContact CE-CD2 3.79Å; M49-F174 HydrophobicContact CE-CE2 3.68Å; M49-F174 HydrophobicContact CE-CG 4.36Å; M49-F174 HydrophobicContact CE-CZ 4.15Å; M49-E177 HydrophobicContact CE-CB 3.99Å; M49-E177 HydrophobicContact CE-CG 3.87Å; M49-E177 HydrophobicContact CG-CG 4.28Å; M49-E177 HydrophobicContact SD-CB 4.17Å; M49-E177 HydrophobicContact SD-CG 3.37Å; M49-E177 WeakPolarHBondContact SD-CG 3.25Å; M49-F178 HydrophobicContact CB-CD2 3.82Å; M49-F178 HydrophobicContact CB-CE2 4.36Å; M49-F178 HydrophobicContact CE-CB 4.41Å; M49-F178 HydrophobicContact CG-CD2 4.25Å
50	C	95.3	Very high	92.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-42.8	176.6	175.9	0	0	0	0	111.8	C36 L42 Q46 K47 R48 H53 P54 M57	C36-C50 VanDerWaalsContact CA-SG 3.56Å; C36-C50 HydrophobicContact CB-CB 3.72Å; C36-C50 WeakPolarHBondContact CB-SG 3.33Å; C36-C50 WeakPolarHBondContact SG-CB 3.5Å; C36-C50 PolarHBondContact SG-O 2.77Å; C36-C50 CovalentContact SG-SG 2.04Å; C36-C50 PolarHBondContact SG-SG 3.06Å; L42-C50 HydrophobicContact CD1-CB 4.34Å; Q46-C50 WeakPolarHBondContact O-CB 3.33Å; Q46-C50 PolarHBondContact O-N 3.16Å; K47-C50 WeakPolarHBondContact O-CB 3.47Å; K47-C50 PolarHBondContact O-N 3.32Å; R48-C50 VanDerWaalsContact C-N 3.34Å; C50-H53 CarbonylContact O-C 3.58Å; C50-P54 WeakPolarHBondContact O-CA 3.13Å; C50-M57 HydrophobicContact CB-CE 4.06Å; C50-M57 HydrophobicContact CB-CG 3.81Å; C50-M57 HydrophobicContact CB-SD 3.8Å
51	I	94.8	Very high	92.9	Very high	57 Å²	57	36.2 Å²	36.2	29%	0.292	19%	0.186	S	C	.	.	H	α-helix	trans	-67.8	-40	177.5	-64.9	166.3	0	0	0	111.1	T33 C36 K47 R48 M49	T33-I51 HydrophobicContact CG2-CD1 4.09Å; C36-I51 HydrophobicContact CB-CD1 4.44Å; C36-I51 HydrophobicContact CB-CG1 3.71Å; C36-I51 PolarHBondContact SG-N 2.93Å; K47-I51 WeakPolarHBondContact O-CG1 2.95Å; K47-I51 PolarHBondContact O-N 2.89Å; R48-I51 PolarHBondContact O-N 3.36Å; M49-I51 VanDerWaalsContact C-N 3.34Å; M49-I51 PolarHBondContact O-N 3.14Å
52	A	94	Very high	93.5	Very high	60 Å²	60	33.9 Å²	33.9	50%	0.496	18%	0.181	S	C	.	.	H	α-helix	trans	-73.7	-33.1	-178.5	0	0	0	0	0	113.6	R48 M49 P54	R48-A52 WeakPolarHBondContact O-CB 3.29Å; R48-A52 PolarHBondContact O-N 2.61Å; M49-A52 PolarHBondContact O-N 3.48Å; A52-P54 VanDerWaalsContact C-CD 3.48Å
53	H	93.7	Very high	93.8	Very high	52 Å²	52	33.3 Å²	33.3	24%	0.241	18%	0.178	C	C	.	.			trans	-131.9	60.9	-174.9	-58.2	-65.1	0	0	0	111.8	M49 C50 S55 T56 M57 D133 F174	M49-H53 PolarHBondContact O-N 3.27Å; C50-H53 CarbonylContact O-C 3.58Å; H53-S55 VanDerWaalsContact C-N 3.25Å; H53-S55 PolarHBondContact O-N 3.3Å; H53-T56 PolarHBondContact O-N 2.99Å; H53-T56 VanDerWaalsContact O-N 3.15Å; H53-M57 PolarHBondContact O-N 3.43Å; H53-D133 IonicContact CE1-OD1 3.09Å; H53-D133 IonicContact CG-OD1 3.86Å; H53-D133 IonicContact ND1-OD1 3.25Å; H53-D133 PolarHBondContact ND1-OD1 2.8Å; H53-F174 HydrophobicContact CB-CE2 4.03Å
54	P	91.8	Very high	93.9	Very high	33 Å²	33	33.6 Å²	33.6	21%	0.214	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-33	-174.7	24.9	-33.8	0	0	0	112.5	F7 V32 C50 A52 T56 M57	F7-P54 HydrophobicContact CD1-CB 4.39Å; F7-P54 HydrophobicContact CE1-CB 3.93Å; F7-P54 HydrophobicContact CZ-CB 4.29Å; V32-P54 HydrophobicContact CG1-CB 3.72Å; V32-P54 HydrophobicContact CG1-CG 4.18Å; V32-P54 HydrophobicContact CG2-CB 4.29Å; C50-P54 WeakPolarHBondContact O-CA 3.13Å; A52-P54 VanDerWaalsContact C-CD 3.48Å; P54-T56 VanDerWaalsContact C-N 3.32Å; P54-T56 PolarHBondContact O-N 2.91Å; P54-M57 PolarHBondContact O-N 2.91Å
55	S	89.4	Confident	93.9	Very high	18 Å²	18	33 Å²	33	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-38.4	178	89.1	0	0	0	0	111.4	H53 M57 T132 D133	H53-S55 VanDerWaalsContact C-N 3.25Å; H53-S55 PolarHBondContact O-N 3.3Å; S55-M57 PolarHBondContact O-N 3.42Å; S55-T132 PolarHBondContact OG-N 3.34Å; S55-D133 PolarHBondContact OG-OD2 2.93Å
56	T	93.1	Very high	94	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-75.8	-22.5	-179.5	-58.4	0	0	0	0	113.4	H53 P54 H58 S59 V60 V122 D133 F174	H53-T56 PolarHBondContact O-N 2.99Å; H53-T56 VanDerWaalsContact O-N 3.15Å; P54-T56 VanDerWaalsContact C-N 3.32Å; P54-T56 PolarHBondContact O-N 2.91Å; T56-H58 PolarHBondContact O-N 3.47Å; T56-S59 WeakPolarHBondContact O-CA 3.19Å; T56-S59 VanDerWaalsContact O-CB 3.29Å; T56-S59 WeakPolarHBondContact O-CB 3.48Å; T56-S59 PolarHBondContact O-N 2.77Å; T56-V60 PolarHBondContact O-N 2.66Å; T56-V122 HydrophobicContact CG2-CG1 4.05Å; T56-V122 HydrophobicContact CG2-CG2 3.83Å; T56-D133 PolarHBondContact N-OD2 3.04Å; T56-D133 PolarHBondContact OG1-OD2 3.26Å; T56-F174 HydrophobicContact CG2-CD1 4.49Å; T56-F174 HydrophobicContact CG2-CD2 3.93Å; T56-F174 HydrophobicContact CG2-CE1 4.11Å; T56-F174 HydrophobicContact CG2-CE2 3.47Å; T56-F174 VanDerWaalsContact CG2-CE2 3.47Å; T56-F174 HydrophobicContact CG2-CG 4.43Å; T56-F174 HydrophobicContact CG2-CZ 3.57Å
57	M	93.4	Very high	94.1	Very high	14 Å²	14	35 Å²	35	7%	0.069	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-27.5	-179.8	-78	-60.6	-59.4	0	0	114	F7 L42 C50 H53 P54 S55 S59 V60 S61 F178	F7-M57 HydrophobicContact CD2-CB 3.85Å; F7-M57 HydrophobicContact CE2-CB 3.94Å; F7-M57 HydrophobicContact CE2-CG 4.38Å; L42-M57 HydrophobicContact CD1-CE 3.98Å; C50-M57 HydrophobicContact CB-CE 4.06Å; C50-M57 HydrophobicContact CB-CG 3.81Å; C50-M57 HydrophobicContact CB-SD 3.8Å; H53-M57 PolarHBondContact O-N 3.43Å; P54-M57 PolarHBondContact O-N 2.91Å; S55-M57 PolarHBondContact O-N 3.42Å; M57-S59 VanDerWaalsContact C-N 3.33Å; M57-V60 HydrophobicContact CE-CB 4.48Å; M57-V60 WeakPolarHBondContact O-CB 3.47Å; M57-V60 PolarHBondContact O-N 2.78Å; M57-V60 HydrophobicContact SD-CB 4.44Å; M57-V60 HydrophobicContact SD-CG2 3.93Å; M57-S61 PolarHBondContact O-N 2.91Å; M57-F178 HydrophobicContact CE-CE2 4.35Å; M57-F178 HydrophobicContact CE-CZ 4.48Å; M57-F178 HydrophobicContact SD-CE2 3.89Å; M57-F178 HydrophobicContact SD-CZ 4.5Å
58	H	91.2	Very high	94.1	Very high	56 Å²	56	35.1 Å²	35.1	26%	0.259	19%	0.185	S	C	.	.	H	α-helix	trans	-60.5	-45.7	171.1	-174.3	99	0	0	0	111.1	Q5 F7 T56 V60 S61 V62	Q5-H58 PolarHBondContact NE2-CE1 2.83Å; Q5-H58 PolarHBondContact NE2-ND1 3.42Å; Q5-H58 PolarHBondContact NE2-NE2 2.04Å; Q5-H58 PolarHBondContact OE1-CE1 2.89Å; F7-H58 PolarHBondContact O-ND1 3.36Å; F7-H58 VanDerWaalsContact O-ND1 3.13Å; T56-H58 PolarHBondContact O-N 3.47Å; H58-V60 VanDerWaalsContact C-N 3.27Å; H58-V60 PolarHBondContact O-N 2.91Å; H58-S61 WeakPolarHBondContact O-CB 3.3Å; H58-S61 PolarHBondContact O-N 2.92Å; H58-S61 VanDerWaalsContact O-N 3.13Å; H58-V62 WeakPolarHBondContact O-CG2 3.32Å; H58-V62 PolarHBondContact O-N 2.84Å
59	S	95.3	Very high	94.2	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.063	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-33.3	177.2	-53.3	0	0	0	0	112.1	T56 M57 S61 V62 G63 S121 A125	T56-S59 WeakPolarHBondContact O-CA 3.19Å; T56-S59 VanDerWaalsContact O-CB 3.29Å; T56-S59 WeakPolarHBondContact O-CB 3.48Å; T56-S59 PolarHBondContact O-N 2.77Å; M57-S59 VanDerWaalsContact C-N 3.33Å; S59-S61 PolarHBondContact O-N 2.72Å; S59-V62 PolarHBondContact O-N 2.65Å; S59-G63 PolarHBondContact O-N 3.2Å; S59-S121 VanDerWaalsContact O-CB 3.27Å; S59-S121 WeakPolarHBondContact O-CB 3.33Å; S59-S121 PolarHBondContact O-OG 3.02Å; S59-A125 WeakPolarHBondContact OG-CB 3.41Å
60	V	94.9	Very high	94.4	Very high	20 Å²	20	32.6 Å²	32.6	12%	0.121	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-47.6	172.5	-179.7	0	0	0	0	111	T56 M57 H58 G63 A64 L118 F174 F178	T56-V60 PolarHBondContact O-N 2.66Å; M57-V60 HydrophobicContact CE-CB 4.48Å; M57-V60 WeakPolarHBondContact O-CB 3.47Å; M57-V60 PolarHBondContact O-N 2.78Å; M57-V60 HydrophobicContact SD-CB 4.44Å; M57-V60 HydrophobicContact SD-CG2 3.93Å; H58-V60 VanDerWaalsContact C-N 3.27Å; H58-V60 PolarHBondContact O-N 2.91Å; V60-G63 PolarHBondContact O-N 3.04Å; V60-A64 PolarHBondContact O-N 3.15Å; V60-L118 HydrophobicContact CB-CD1 4.15Å; V60-L118 HydrophobicContact CG1-CD1 4.14Å; V60-L118 HydrophobicContact CG2-CD1 3.78Å; V60-F174 HydrophobicContact CG2-CE1 3.74Å; V60-F174 HydrophobicContact CG2-CZ 3.93Å; V60-F178 HydrophobicContact CG1-CE1 3.93Å; V60-F178 HydrophobicContact CG1-CZ 3.85Å
61	S	91.9	Very high	94.5	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-40.3	177.6	176.2	0	0	0	0	112.8	V3 M57 H58 S59 R65	V3-S61 WeakPolarHBondContact CB-OG 3.27Å; V3-S61 WeakPolarHBondContact CG1-OG 3.3Å; M57-S61 PolarHBondContact O-N 2.91Å; H58-S61 WeakPolarHBondContact O-CB 3.3Å; H58-S61 PolarHBondContact O-N 2.92Å; H58-S61 VanDerWaalsContact O-N 3.13Å; S59-S61 PolarHBondContact O-N 2.72Å; S61-R65 WeakPolarHBondContact O-CG 2.97Å; S61-R65 PolarHBondContact O-N 2.87Å; S61-R65 PolarHBondContact O-NE 3.23Å
62	V	94.4	Very high	94.6	Very high	32 Å²	32	33.4 Å²	33.4	19%	0.194	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-48.1	174.4	173.9	0	0	0	0	110.7	H58 S59 A64 R65 Q66	H58-V62 WeakPolarHBondContact O-CG2 3.32Å; H58-V62 PolarHBondContact O-N 2.84Å; S59-V62 PolarHBondContact O-N 2.65Å; V62-A64 PolarHBondContact O-N 2.94Å; V62-R65 PolarHBondContact O-N 3.4Å; V62-Q66 HydrophobicContact CG1-CG 4.32Å; V62-Q66 WeakPolarHBondContact O-CG 3Å; V62-Q66 PolarHBondContact O-N 3.05Å
63	G	96.3	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-41.6	-179.2	0	0	0	0	0	112.8	S59 V60 R65 Q66 A67 G117 S121	S59-G63 PolarHBondContact O-N 3.2Å; V60-G63 PolarHBondContact O-N 3.04Å; G63-R65 PolarHBondContact O-N 3.06Å; G63-Q66 PolarHBondContact O-N 3Å; G63-A67 WeakPolarHBondContact O-CB 3.29Å; G63-A67 PolarHBondContact O-N 3.38Å; G63-G117 VanDerWaalsContact CA-O 3.3Å; G63-G117 WeakPolarHBondContact CA-O 3.34Å; G63-S121 VanDerWaalsContact CA-CB 3.44Å; G63-S121 VanDerWaalsContact CA-OG 3.26Å; G63-S121 WeakPolarHBondContact CA-OG 3.48Å; G63-S121 PolarHBondContact N-OG 3.02Å
64	A	93.9	Very high	95	Very high	41 Å²	41	35.8 Å²	35.8	34%	0.339	18%	0.184	S	C	.	.	H	α-helix	trans	-60.8	-44.1	174.4	0	0	0	0	0	112.1	V60 V62 A67 I68	V60-A64 PolarHBondContact O-N 3.15Å; V62-A64 PolarHBondContact O-N 2.94Å; A64-A67 PolarHBondContact O-N 2.91Å; A64-I68 WeakPolarHBondContact O-CD1 3.29Å; A64-I68 VanDerWaalsContact O-CG1 3.23Å; A64-I68 WeakPolarHBondContact O-CG1 3.13Å; A64-I68 PolarHBondContact O-N 2.77Å
65	R	94	Very high	95.3	Very high	110 Å²	110	34.2 Å²	34.2	42%	0.415	17%	0.174	S	C	.	.	H	α-helix	trans	-64.5	-43.2	177.4	-74.9	-176.4	-73.3	138	-8.2	112.3	S61 V62 G63 I68 A69	S61-R65 WeakPolarHBondContact O-CG 2.97Å; S61-R65 PolarHBondContact O-N 2.87Å; S61-R65 PolarHBondContact O-NE 3.23Å; V62-R65 PolarHBondContact O-N 3.4Å; G63-R65 PolarHBondContact O-N 3.06Å; R65-I68 PolarHBondContact O-N 3.31Å; R65-A69 WeakPolarHBondContact O-CB 3.29Å; R65-A69 PolarHBondContact O-N 2.92Å
66	Q	96.8	Very high	95.6	Very high	74 Å²	74	38.9 Å²	38.9	35%	0.346	19%	0.189	S	C	.	.	H	α-helix	trans	-64.1	-42.2	177.4	-71.4	175.8	-26.7	0	0	111.3	V62 G63 A69 E70 L238	V62-Q66 HydrophobicContact CG1-CG 4.32Å; V62-Q66 WeakPolarHBondContact O-CG 3Å; V62-Q66 PolarHBondContact O-N 3.05Å; G63-Q66 PolarHBondContact O-N 3Å; Q66-A69 PolarHBondContact O-N 3.09Å; Q66-E70 WeakPolarHBondContact O-CB 3.02Å; Q66-E70 PolarHBondContact O-N 3.28Å; Q66-L238 HydrophobicContact CB-CD2 3.62Å
67	A	97.1	Very high	95.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-41.5	176.1	0	0	0	0	0	113	G63 A64 E70 C71 I113	G63-A67 WeakPolarHBondContact O-CB 3.29Å; G63-A67 PolarHBondContact O-N 3.38Å; A64-A67 PolarHBondContact O-N 2.91Å; A67-E70 PolarHBondContact O-N 2.88Å; A67-C71 VanDerWaalsContact O-CB 3.32Å; A67-C71 WeakPolarHBondContact O-CB 3.33Å; A67-C71 PolarHBondContact O-N 3.4Å; A67-I113 HydrophobicContact CB-CG1 4.3Å; A67-I113 WeakPolarHBondContact CB-O 3.16Å
68	I	94.8	Very high	95.8	Very high	30 Å²	30	42.7 Å²	42.7	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-46.4	175.7	-66.8	162.5	0	0	0	110.4	A64 R65 E70 C71 Q72 P84 I95 F96	A64-I68 WeakPolarHBondContact O-CD1 3.29Å; A64-I68 VanDerWaalsContact O-CG1 3.23Å; A64-I68 WeakPolarHBondContact O-CG1 3.13Å; A64-I68 PolarHBondContact O-N 2.77Å; R65-I68 PolarHBondContact O-N 3.31Å; I68-E70 VanDerWaalsContact C-N 3.33Å; I68-E70 PolarHBondContact O-N 2.93Å; I68-C71 WeakPolarHBondContact O-CB 3.43Å; I68-C71 PolarHBondContact O-N 3.15Å; I68-Q72 HydrophobicContact CG2-CG 4.49Å; I68-Q72 WeakPolarHBondContact O-CG 2.99Å; I68-Q72 PolarHBondContact O-N 2.69Å; I68-P84 HydrophobicContact CG2-CG 4.32Å; I68-I95 HydrophobicContact CD1-CD1 4.45Å; I68-I95 HydrophobicContact CD1-CG2 4.03Å; I68-F96 HydrophobicContact CG1-CE2 3.9Å; I68-F96 HydrophobicContact CG2-CE2 4.41Å; I68-F96 HydrophobicContact CG2-CZ 4.35Å
69	A	97	Very high	96	Very high	53 Å²	53	44.8 Å²	44.8	44%	0.438	21%	0.214	S	C	.	.	H	α-helix	trans	-61.3	-42.7	178.8	0	0	0	0	0	111.6	R65 Q66 Q72 W73	R65-A69 WeakPolarHBondContact O-CB 3.29Å; R65-A69 PolarHBondContact O-N 2.92Å; Q66-A69 PolarHBondContact O-N 3.09Å; A69-Q72 PolarHBondContact O-N 2.9Å; A69-W73 WeakPolarHBondContact O-CB 3.47Å; A69-W73 PolarHBondContact O-N 3.06Å
70	E	98.4	Very high	96	Very high	15 Å²	15	45.2 Å²	45.2	7%	0.07	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-39.7	176.2	-173.1	56	-144.9	0	0	111.7	Q66 A67 I68 Q72 W73 Q74 I113 L238	Q66-E70 WeakPolarHBondContact O-CB 3.02Å; Q66-E70 PolarHBondContact O-N 3.28Å; A67-E70 PolarHBondContact O-N 2.88Å; I68-E70 VanDerWaalsContact C-N 3.33Å; I68-E70 PolarHBondContact O-N 2.93Å; E70-Q72 PolarHBondContact O-N 3.4Å; E70-W73 WeakPolarHBondContact O-CB 3.22Å; E70-W73 PolarHBondContact O-N 3.3Å; E70-Q74 HydrophobicContact CG-CG 4.46Å; E70-Q74 VanDerWaalsContact O-CG 3.32Å; E70-Q74 WeakPolarHBondContact O-CG 3.25Å; E70-Q74 PolarHBondContact O-N 2.83Å; E70-Q74 WeakPolarHBondContact OE1-CG 3.49Å; E70-Q74 PolarHBondContact OE1-NE2 3.12Å; E70-I113 HydrophobicContact CB-CD1 4.27Å; E70-I113 HydrophobicContact CB-CG1 4.27Å; E70-I113 HydrophobicContact CG-CD1 3.84Å; E70-I113 HydrophobicContact CG-CG1 4.27Å; E70-L238 HydrophobicContact CB-CD2 4.36Å; E70-L238 HydrophobicContact CB-CG 4.45Å; E70-L238 HydrophobicContact CG-CG 4.4Å
71	C	98.1	Very high	96	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-46.4	174.6	-172.8	0	0	0	0	112.1	A67 I68 W73 Q74 F75 C82 F109 I113	A67-C71 VanDerWaalsContact O-CB 3.32Å; A67-C71 WeakPolarHBondContact O-CB 3.33Å; A67-C71 PolarHBondContact O-N 3.4Å; I68-C71 WeakPolarHBondContact O-CB 3.43Å; I68-C71 PolarHBondContact O-N 3.15Å; C71-W73 VanDerWaalsContact C-N 3.28Å; C71-W73 PolarHBondContact O-N 2.86Å; C71-Q74 PolarHBondContact O-N 2.77Å; C71-F75 WeakPolarHBondContact O-CB 3.03Å; C71-F75 WeakPolarHBondContact O-CD2 3.47Å; C71-F75 PolarHBondContact O-N 2.58Å; C71-C82 HydrophobicContact CB-CB 3.95Å; C71-C82 WeakPolarHBondContact CB-SG 3.37Å; C71-C82 WeakPolarHBondContact SG-CB 3.3Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.48Å; C71-F109 HydrophobicContact CB-CE1 4.01Å; C71-I113 HydrophobicContact CB-CG2 4.25Å
72	Q	97.2	Very high	96.1	Very high	71 Å²	71	45.8 Å²	45.8	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-60	-40.8	174.5	-72.1	174.4	-22.6	0	0	111.5	I68 A69 E70 F75 R76 C82	I68-Q72 HydrophobicContact CG2-CG 4.49Å; I68-Q72 WeakPolarHBondContact O-CG 2.99Å; I68-Q72 PolarHBondContact O-N 2.69Å; A69-Q72 PolarHBondContact O-N 2.9Å; E70-Q72 PolarHBondContact O-N 3.4Å; Q72-F75 PolarHBondContact O-N 3.33Å; Q72-R76 WeakPolarHBondContact O-CA 3.39Å; Q72-R76 WeakPolarHBondContact O-CB 3.06Å; Q72-R76 PolarHBondContact O-N 2.74Å; Q72-C82 HydrophobicContact CG-CB 4.32Å; Q72-C82 VanDerWaalsContact CG-O 3.24Å; Q72-C82 WeakPolarHBondContact CG-O 3.5Å
73	W	98.1	Very high	95.9	Very high	136 Å²	136	46.8 Å²	46.8	52%	0.515	22%	0.222	S	C	.	.	H	α-helix	trans	-61.7	-50.4	177	179.8	-106.3	0	0	0	112.2	A69 E70 C71 F75 R76	A69-W73 WeakPolarHBondContact O-CB 3.47Å; A69-W73 PolarHBondContact O-N 3.06Å; E70-W73 WeakPolarHBondContact O-CB 3.22Å; E70-W73 PolarHBondContact O-N 3.3Å; C71-W73 VanDerWaalsContact C-N 3.28Å; C71-W73 PolarHBondContact O-N 2.86Å; W73-F75 VanDerWaalsContact C-N 3.28Å; W73-F75 PolarHBondContact O-N 3.22Å; W73-R76 WeakPolarHBondContact O-CD 3.39Å; W73-R76 WeakPolarHBondContact O-CG 3.18Å; W73-R76 PolarHBondContact O-NH1 2.91Å
74	Q	98.2	Very high	95.3	Very high	26 Å²	26	49.1 Å²	49.1	12%	0.121	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-31.3	-178.4	-67.5	-62.7	-28.5	0	0	112.8	E70 C71 F109 K246	E70-Q74 HydrophobicContact CG-CG 4.46Å; E70-Q74 VanDerWaalsContact O-CG 3.32Å; E70-Q74 WeakPolarHBondContact O-CG 3.25Å; E70-Q74 PolarHBondContact O-N 2.83Å; E70-Q74 WeakPolarHBondContact OE1-CG 3.49Å; E70-Q74 PolarHBondContact OE1-NE2 3.12Å; C71-Q74 PolarHBondContact O-N 2.77Å; Q74-F109 HydrophobicContact CB-CZ 4.11Å; Q74-F109 HydrophobicContact CG-CZ 4.12Å; Q74-K246 HydrophobicContact CB-CB 4.49Å; Q74-K246 HydrophobicContact CB-CD 4.36Å; Q74-K246 HydrophobicContact CB-CG 4.46Å; Q74-K246 HydrophobicContact CG-CB 4.44Å
75	F	97.4	Very high	94.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-104.7	3	-175.8	-76.4	-90.2	0	0	0	114.6	C71 Q72 W73 L77 E78 W80 N81 C82 F109 K246 Y249	C71-F75 WeakPolarHBondContact O-CB 3.03Å; C71-F75 WeakPolarHBondContact O-CD2 3.47Å; C71-F75 PolarHBondContact O-N 2.58Å; Q72-F75 PolarHBondContact O-N 3.33Å; W73-F75 VanDerWaalsContact C-N 3.28Å; W73-F75 PolarHBondContact O-N 3.22Å; F75-L77 PolarHBondContact O-N 3.36Å; F75-E78 HydrophobicContact CD1-CB 4.26Å; F75-E78 HydrophobicContact CD1-CG 4.32Å; F75-E78 WeakPolarHBondContact CD1-OE2 3.39Å; F75-E78 WeakPolarHBondContact CE1-OE2 3.34Å; F75-E78 PolarHBondContact O-N 3.36Å; F75-W80 HydrophobicContact CB-CE3 4.31Å; F75-W80 HydrophobicContact CB-CZ3 4.36Å; F75-W80 WeakPolarHBondContact CB-O 3.47Å; F75-W80 AromaticContact CD1-CE3 3.43Å; F75-W80 HydrophobicContact CD1-CE3 3.43Å; F75-W80 VanDerWaalsContact CD1-CE3 3.43Å; F75-W80 AromaticContact CD1-CZ3 3.62Å; F75-W80 HydrophobicContact CD1-CZ3 3.62Å; F75-W80 HydrophobicContact CD2-CE3 4.37Å; F75-W80 AromaticContact CD2-CZ3 3.76Å; F75-W80 HydrophobicContact CD2-CZ3 3.76Å; F75-W80 AromaticContact CE1-CE3 3.73Å; F75-W80 HydrophobicContact CE1-CE3 3.73Å; F75-W80 AromaticContact CE1-CZ3 3.73Å; F75-W80 HydrophobicContact CE1-CZ3 3.73Å; F75-W80 AromaticContact CE2-CZ3 3.89Å; F75-W80 HydrophobicContact CE2-CZ3 3.89Å; F75-W80 AromaticContact CG-CE3 3.77Å; F75-W80 HydrophobicContact CG-CE3 3.77Å; F75-W80 AromaticContact CG-CZ3 3.62Å; F75-W80 HydrophobicContact CG-CZ3 3.62Å; F75-W80 HydrophobicContact CZ-CE3 4.34Å; F75-W80 AromaticContact CZ-CZ3 3.86Å; F75-W80 HydrophobicContact CZ-CZ3 3.86Å; F75-N81 WeakPolarHBondContact O-CA 3.07Å; F75-C82 HydrophobicContact CB-CB 4.23Å; F75-F109 HydrophobicContact CD2-CD1 4.26Å; F75-F109 HydrophobicContact CD2-CE1 4.12Å; F75-F109 HydrophobicContact CD2-CZ 4.45Å; F75-F109 HydrophobicContact CE2-CB 4.36Å; F75-F109 AromaticContact CE2-CD1 3.48Å; F75-F109 HydrophobicContact CE2-CD1 3.48Å; F75-F109 VanDerWaalsContact CE2-CD1 3.48Å; F75-F109 AromaticContact CE2-CD2 3.84Å; F75-F109 HydrophobicContact CE2-CD2 3.84Å; F75-F109 AromaticContact CE2-CE1 3.6Å; F75-F109 HydrophobicContact CE2-CE1 3.6Å; F75-F109 AromaticContact CE2-CE2 3.93Å; F75-F109 HydrophobicContact CE2-CE2 3.93Å; F75-F109 AromaticContact CE2-CG 3.61Å; F75-F109 HydrophobicContact CE2-CG 3.61Å; F75-F109 AromaticContact CE2-CZ 3.83Å; F75-F109 HydrophobicContact CE2-CZ 3.83Å; F75-F109 HydrophobicContact CZ-CB 4.35Å; F75-F109 HydrophobicContact CZ-CD1 4.28Å; F75-F109 HydrophobicContact CZ-CD2 4.22Å; F75-F109 HydrophobicContact CZ-CG 4.02Å; F75-K246 HydrophobicContact CE2-CD 4.02Å; F75-K246 HydrophobicContact CZ-CD 3.97Å; F75-Y249 HydrophobicContact CE1-CD1 4.12Å; F75-Y249 AromaticContact CE1-CE1 3.57Å; F75-Y249 HydrophobicContact CE1-CE1 3.57Å; F75-Y249 HydrophobicContact CE1-CE2 4.05Å; F75-Y249 AromaticContact CE1-CZ 3.53Å; F75-Y249 AromaticContact CZ-CD1 3.84Å; F75-Y249 HydrophobicContact CZ-CD1 3.84Å; F75-Y249 AromaticContact CZ-CD2 4Å; F75-Y249 HydrophobicContact CZ-CD2 4Å; F75-Y249 AromaticContact CZ-CE1 3.76Å; F75-Y249 HydrophobicContact CZ-CE1 3.76Å; F75-Y249 AromaticContact CZ-CE2 3.88Å; F75-Y249 HydrophobicContact CZ-CE2 3.88Å; F75-Y249 AromaticContact CZ-CG 3.97Å; F75-Y249 HydrophobicContact CZ-CG 3.97Å; F75-Y249 AromaticContact CZ-CZ 3.78Å
76	R	95.7	Very high	93.3	Very high	116 Å²	116	51.8 Å²	51.8	44%	0.438	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-28.7	-173.3	72.2	-167.3	-178.3	-85.2	1.1	114.8	Q72 W73 R305	Q72-R76 WeakPolarHBondContact O-CA 3.39Å; Q72-R76 WeakPolarHBondContact O-CB 3.06Å; Q72-R76 PolarHBondContact O-N 2.74Å; W73-R76 WeakPolarHBondContact O-CD 3.39Å; W73-R76 WeakPolarHBondContact O-CG 3.18Å; W73-R76 PolarHBondContact O-NH1 2.91Å; R76-R305 PolarHBondContact O-NH2 2.01Å
77	L	95	Very high	91.9	Very high	69 Å²	69	49 Å²	49	36%	0.361	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-4.2	-176.7	-64.5	-169.6	0	0	0	114.1	F75 T314 D315	F75-L77 PolarHBondContact O-N 3.36Å; L77-T314 CarbonylContact O-C 3.46Å; L77-T314 VanDerWaalsContact O-C 3.23Å; L77-T314 VanDerWaalsContact O-O 3.08Å; L77-D315 HydrophobicContact CB-CB 3.95Å; L77-D315 HydrophobicContact CD1-CB 4.03Å; L77-D315 HydrophobicContact CD2-CB 3.98Å; L77-D315 HydrophobicContact CG-CB 4.16Å; L77-D315 PolarHBondContact O-N 3.46Å
78	E	95.8	Very high	90.2	Very high	26 Å²	26	54 Å²	54	12%	0.121	26%	0.263	C	S	.	.	S	Bend	trans	-98.7	158.7	-178.8	-63.9	-166.4	-167.9	0	0	111.9	F75 W80 K246 R305 T314	F75-E78 HydrophobicContact CD1-CB 4.26Å; F75-E78 HydrophobicContact CD1-CG 4.32Å; F75-E78 WeakPolarHBondContact CD1-OE2 3.39Å; F75-E78 WeakPolarHBondContact CE1-OE2 3.34Å; F75-E78 PolarHBondContact O-N 3.36Å; E78-W80 CarbonylContact O-C 3.47Å; E78-W80 PolarHBondContact O-N 3.49Å; E78-K246 WeakPolarHBondContact OE1-CE 3.4Å; E78-K246 IonicContact OE1-NZ 3.76Å; E78-K246 PolarHBondContact OE1-NZ 3.33Å; E78-R305 PolarHBondContact O-NH1 3.21Å; E78-R305 PolarHBondContact O-NH2 3.5Å; E78-T314 HydrophobicContact CG-CG2 4.16Å
79	R	96.1	Very high	88.6	Confident	100 Å²	100	60.1 Å²	60.1	38%	0.377	30%	0.296	S	S	.	.	S	Bend	trans	-52.7	-41.4	178.6	-62.2	177.3	-177.7	148.1	-0.8	112.6	T302 R305 L319 L320 C322	R79-T302 HydrophobicContact CB-CG2 3.94Å; R79-T302 HydrophobicContact CG-CG2 4.06Å; R79-R305 VanDerWaalsContact C-NH1 3.34Å; R79-R305 PolarHBondContact O-NH1 3.15Å; R79-L319 VanDerWaalsContact CZ-O 3.24Å; R79-L319 PolarHBondContact NE-O 3.15Å; R79-L319 PolarHBondContact NH2-O 3.06Å; R79-L320 HydrophobicContact CG-CD1 4.25Å; R79-C322 PolarHBondContact NE-SG 3.35Å
80	W	95.1	Very high	87	Confident	18 Å²	18	59 Å²	59	7%	0.068	28%	0.282	C	S	.	.	S	Bend	trans	-93.5	114.8	164.8	-179.9	76.3	0	0	0	108.9	F75 E78 C82 T99 E106 I110 Y290	F75-W80 HydrophobicContact CB-CE3 4.31Å; F75-W80 HydrophobicContact CB-CZ3 4.36Å; F75-W80 WeakPolarHBondContact CB-O 3.47Å; F75-W80 AromaticContact CD1-CE3 3.43Å; F75-W80 HydrophobicContact CD1-CE3 3.43Å; F75-W80 VanDerWaalsContact CD1-CE3 3.43Å; F75-W80 AromaticContact CD1-CZ3 3.62Å; F75-W80 HydrophobicContact CD1-CZ3 3.62Å; F75-W80 HydrophobicContact CD2-CE3 4.37Å; F75-W80 AromaticContact CD2-CZ3 3.76Å; F75-W80 HydrophobicContact CD2-CZ3 3.76Å; F75-W80 AromaticContact CE1-CE3 3.73Å; F75-W80 HydrophobicContact CE1-CE3 3.73Å; F75-W80 AromaticContact CE1-CZ3 3.73Å; F75-W80 HydrophobicContact CE1-CZ3 3.73Å; F75-W80 AromaticContact CE2-CZ3 3.89Å; F75-W80 HydrophobicContact CE2-CZ3 3.89Å; F75-W80 AromaticContact CG-CE3 3.77Å; F75-W80 HydrophobicContact CG-CE3 3.77Å; F75-W80 AromaticContact CG-CZ3 3.62Å; F75-W80 HydrophobicContact CG-CZ3 3.62Å; F75-W80 HydrophobicContact CZ-CE3 4.34Å; F75-W80 AromaticContact CZ-CZ3 3.86Å; F75-W80 HydrophobicContact CZ-CZ3 3.86Å; E78-W80 CarbonylContact O-C 3.47Å; E78-W80 PolarHBondContact O-N 3.49Å; W80-C82 HydrophobicContact CE3-CB 4.48Å; W80-C82 HydrophobicContact CH2-CB 3.6Å; W80-C82 WeakPolarHBondContact CH2-SG 3.32Å; W80-C82 HydrophobicContact CZ2-CB 3.83Å; W80-C82 HydrophobicContact CZ3-CB 3.95Å; W80-T99 HydrophobicContact CZ2-CG2 4.08Å; W80-E106 HydrophobicContact CB-CG 4.44Å; W80-E106 HydrophobicContact CD2-CB 3.85Å; W80-E106 HydrophobicContact CD2-CG 3.6Å; W80-E106 HydrophobicContact CE3-CB 3.7Å; W80-E106 HydrophobicContact CE3-CG 3.4Å; W80-E106 HydrophobicContact CG-CG 4.07Å; W80-E106 HydrophobicContact CH2-CB 3.82Å; W80-E106 HydrophobicContact CH2-CG 4.47Å; W80-E106 HydrophobicContact CZ2-CB 3.98Å; W80-E106 HydrophobicContact CZ3-CB 3.68Å; W80-E106 HydrophobicContact CZ3-CG 3.87Å; W80-I110 HydrophobicContact CH2-CD1 3.75Å; W80-I110 HydrophobicContact CH2-CG1 3.82Å; W80-I110 HydrophobicContact CZ2-CD1 3.59Å; W80-I110 HydrophobicContact CZ2-CG1 4.18Å; W80-Y290 HydrophobicContact CB-CD1 3.8Å; W80-Y290 HydrophobicContact CB-CD2 3.82Å; W80-Y290 HydrophobicContact CB-CE1 3.84Å; W80-Y290 HydrophobicContact CB-CE2 3.84Å; W80-Y290 HydrophobicContact CB-CG 3.8Å; W80-Y290 AromaticContact CD1-CD1 3.89Å; W80-Y290 AromaticContact CD1-CE1 3.42Å; W80-Y290 VanDerWaalsContact CD1-CE1 3.42Å; W80-Y290 AromaticContact CD1-CZ 3.9Å; W80-Y290 HydrophobicContact CG-CD1 4.19Å; W80-Y290 AromaticContact CG-CE1 3.82Å; W80-Y290 HydrophobicContact CG-CE1 3.82Å; W80-Y290 HydrophobicContact CG-CE2 4.36Å; W80-Y290 AromaticContact CG-CZ 3.91Å
81	N	94.5	Very high	85.2	Confident	42 Å²	42	60.9 Å²	60.9	23%	0.225	30%	0.297	C	S	.	.			trans	-105.5	15.8	-172.5	68.8	-14.2	0	0	0	113.9	F75 T83	F75-N81 WeakPolarHBondContact O-CA 3.07Å; N81-T83 VanDerWaalsContact CG-OG1 3.28Å; N81-T83 PolarHBondContact ND2-OG1 3.41Å; N81-T83 PolarHBondContact O-N 2.9Å; N81-T83 VanDerWaalsContact O-N 3.17Å; N81-T83 WeakPolarHBondContact OD1-CB 3.37Å; N81-T83 PolarHBondContact OD1-N 3.31Å; N81-T83 PolarHBondContact OD1-OG1 3.23Å
82	C	94.2	Very high	83.3	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.323	C	S	.	.			trans	55.8	27.9	-176.6	-157.5	0	0	0	0	115	C71 Q72 F75 W80 P84 F96	C71-C82 HydrophobicContact CB-CB 3.95Å; C71-C82 WeakPolarHBondContact CB-SG 3.37Å; C71-C82 WeakPolarHBondContact SG-CB 3.3Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.48Å; Q72-C82 HydrophobicContact CG-CB 4.32Å; Q72-C82 VanDerWaalsContact CG-O 3.24Å; Q72-C82 WeakPolarHBondContact CG-O 3.5Å; F75-C82 HydrophobicContact CB-CB 4.23Å; W80-C82 HydrophobicContact CE3-CB 4.48Å; W80-C82 HydrophobicContact CH2-CB 3.6Å; W80-C82 WeakPolarHBondContact CH2-SG 3.32Å; W80-C82 HydrophobicContact CZ2-CB 3.83Å; W80-C82 HydrophobicContact CZ3-CB 3.95Å; C82-P84 WeakPolarHBondContact O-CD 3.4Å; C82-F96 WeakPolarHBondContact O-CE1 3.46Å; C82-F96 VanDerWaalsContact O-CZ 3.31Å; C82-F96 WeakPolarHBondContact O-CZ 3.35Å; C82-F96 WeakPolarHBondContact SG-CZ 3.44Å
83	T	90.7	Very high	81.4	Confident	52 Å²	52	65.1 Å²	65.1	32%	0.319	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-74.6	126.1	168.6	-60.3	0	0	0	0	110.1	N81 V85 L300	N81-T83 VanDerWaalsContact CG-OG1 3.28Å; N81-T83 PolarHBondContact ND2-OG1 3.41Å; N81-T83 PolarHBondContact O-N 2.9Å; N81-T83 VanDerWaalsContact O-N 3.17Å; N81-T83 WeakPolarHBondContact OD1-CB 3.37Å; N81-T83 PolarHBondContact OD1-N 3.31Å; N81-T83 PolarHBondContact OD1-OG1 3.23Å; T83-V85 PolarHBondContact O-N 3.39Å; T83-L300 HydrophobicContact CG2-CD1 4.01Å
84	P	83	Confident	79.9	Confident	50 Å²	50	61.8 Å²	61.8	33%	0.325	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-59.6	121.9	172.2	-24.5	34.2	0	0	0	111	I68 C82 I95 F96	I68-P84 HydrophobicContact CG2-CG 4.32Å; C82-P84 WeakPolarHBondContact O-CD 3.4Å; P84-I95 HydrophobicContact CB-CG2 4.16Å; P84-I95 HydrophobicContact CG-CG2 4.14Å; P84-F96 HydrophobicContact CB-CE1 4.23Å; P84-F96 HydrophobicContact CG-CE1 3.9Å; P84-F96 HydrophobicContact CG-CZ 3.82Å
85	V	76	Confident	78.7	Confident	35 Å²	35	63.2 Å²	63.2	21%	0.212	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-97.9	132.4	173.6	-174.4	0	0	0	0	108.2	T83 G298 L300	T83-V85 PolarHBondContact O-N 3.39Å; V85-G298 VanDerWaalsContact CG2-O 3.27Å; V85-G298 WeakPolarHBondContact CG2-O 3.24Å; V85-L300 HydrophobicContact CB-CD2 4.48Å; V85-L300 HydrophobicContact CG1-CD2 4.04Å; V85-L300 HydrophobicContact CG2-CD1 3.93Å; V85-L300 HydrophobicContact CG2-CD2 3.68Å; V85-L300 HydrophobicContact CG2-CG 3.53Å
86	R	70.1	Confident	77.7	Confident	171 Å²	171	63.8 Å²	63.8	65%	0.645	33%	0.327	S	S	*	.			trans	-87.7	108.3	166.4	-68.6	-178.5	178.1	164.1	-0.4	107.2
87	T	66.6	Low	76.9	Confident	15 Å²	15	59 Å²	59	9%	0.092	31%	0.312	C	S	.	.			trans	-77.9	155	167.7	64	0	0	0	0	109.4	N89 E90 E295	T87-N89 PolarHBondContact O-N 2.91Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.49Å; T87-E90 PolarHBondContact N-OE2 3.5Å; T87-E90 PolarHBondContact O-N 3.17Å; T87-E90 WeakPolarHBondContact OG1-CB 3.39Å; T87-E90 WeakPolarHBondContact OG1-CG 3.4Å; T87-E90 PolarHBondContact OG1-OE2 3.47Å; T87-E295 WeakPolarHBondContact CG2-O 3.27Å
88	P	62.4	Low	76.1	Confident	106 Å²	106	57 Å²	57	69%	0.688	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.9	-178.7	-27.1	34.9	0	0	0	114.5
89	N	61.9	Low	75.4	Confident	160 Å²	160	56.6 Å²	56.6	86%	0.856	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	3.7	-176.7	-64.3	-16.9	0	0	0	113.6	T87	T87-N89 PolarHBondContact O-N 2.91Å
90	E	62.9	Low	75	Confident	29 Å²	29	54.4 Å²	54.4	14%	0.136	30%	0.298	C	S	.	.			trans	-105.4	132.1	-177.4	-82.2	170.1	164.4	0	0	111.6	T87 D94 A97 T98	T87-E90 WeakPolarHBondContact CG2-OE2 3.49Å; T87-E90 PolarHBondContact N-OE2 3.5Å; T87-E90 PolarHBondContact O-N 3.17Å; T87-E90 WeakPolarHBondContact OG1-CB 3.39Å; T87-E90 WeakPolarHBondContact OG1-CG 3.4Å; T87-E90 PolarHBondContact OG1-OE2 3.47Å; E90-D94 HydrophobicContact CB-CB 4.07Å; E90-D94 HydrophobicContact CG-CB 4.11Å; E90-A97 HydrophobicContact CG-CB 4.42Å; E90-A97 VanDerWaalsContact OE1-CB 3.3Å; E90-A97 WeakPolarHBondContact OE1-CB 3.45Å; E90-T98 VanDerWaalsContact CD-OG1 3.28Å; E90-T98 WeakPolarHBondContact OE1-CA 3.31Å; E90-T98 WeakPolarHBondContact OE1-CB 3.41Å; E90-T98 PolarHBondContact OE1-N 2.76Å; E90-T98 PolarHBondContact OE1-OG1 2.92Å; E90-T98 PolarHBondContact OE2-OG1 3.12Å
91	S	60.1	Low	74.6	Confident	55 Å²	55	60.9 Å²	60.9	39%	0.385	33%	0.326	S	S	.	.			trans	-65.8	158.3	173.8	70.1	0	0	0	0	110.3	S93 D94	S91-S93 PolarHBondContact O-N 3.4Å; S91-S93 PolarHBondContact OG-OG 3.23Å; S91-D94 WeakPolarHBondContact CB-OD2 3.2Å; S91-D94 PolarHBondContact N-OD2 3.33Å; S91-D94 PolarHBondContact O-N 3.2Å; S91-D94 PolarHBondContact OG-N 3.43Å; S91-D94 PolarHBondContact OG-OD2 3.29Å
92	I	57.4	Low	74.2	Confident	110 Å²	110	60.6 Å²	60.6	56%	0.564	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.7	174.4	-68.3	170.4	0	0	0	111.6
93	S	57.8	Low	74.1	Confident	51 Å²	51	60.7 Å²	60.7	36%	0.357	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-14.8	179.3	43.2	0	0	0	0	115.5	S91 I95	S91-S93 PolarHBondContact O-N 3.4Å; S91-S93 PolarHBondContact OG-OG 3.23Å; S93-I95 PolarHBondContact O-N 3.49Å
94	D	67.9	Low	74.3	Confident	67 Å²	67	58.2 Å²	58.2	36%	0.358	31%	0.314	S	S	.	.			trans	-86.7	52.9	-176.1	-69.1	-38.8	0	0	0	112.5	E90 S91 F96 A97	E90-D94 HydrophobicContact CB-CB 4.07Å; E90-D94 HydrophobicContact CG-CB 4.11Å; S91-D94 WeakPolarHBondContact CB-OD2 3.2Å; S91-D94 PolarHBondContact N-OD2 3.33Å; S91-D94 PolarHBondContact O-N 3.2Å; S91-D94 PolarHBondContact OG-N 3.43Å; S91-D94 PolarHBondContact OG-OD2 3.29Å; D94-F96 PolarHBondContact O-N 2.68Å; D94-A97 HydrophobicContact CB-CB 3.73Å; D94-A97 WeakPolarHBondContact O-CB 3.4Å; D94-A97 PolarHBondContact O-N 3.36Å; D94-A97 VanDerWaalsContact O-N 3.11Å
95	I	71.6	Confident	75	Confident	56 Å²	56	59.4 Å²	59.4	29%	0.287	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	124.3	-179.4	-61	174.3	0	0	0	109.6	I68 P84 S93 A97	I68-I95 HydrophobicContact CD1-CD1 4.45Å; I68-I95 HydrophobicContact CD1-CG2 4.03Å; P84-I95 HydrophobicContact CB-CG2 4.16Å; P84-I95 HydrophobicContact CG-CG2 4.14Å; S93-I95 PolarHBondContact O-N 3.49Å; I95-A97 PolarHBondContact O-N 3.39Å
96	F	76.9	Confident	75.9	Confident	11 Å²	11	58.1 Å²	58.1	5%	0.048	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	14.2	-176.8	-57.7	-54.3	0	0	0	115.7	I68 C82 P84 D94 T98 T99 L100 I110	I68-F96 HydrophobicContact CG1-CE2 3.9Å; I68-F96 HydrophobicContact CG2-CE2 4.41Å; I68-F96 HydrophobicContact CG2-CZ 4.35Å; C82-F96 WeakPolarHBondContact O-CE1 3.46Å; C82-F96 VanDerWaalsContact O-CZ 3.31Å; C82-F96 WeakPolarHBondContact O-CZ 3.35Å; C82-F96 WeakPolarHBondContact SG-CZ 3.44Å; P84-F96 HydrophobicContact CB-CE1 4.23Å; P84-F96 HydrophobicContact CG-CE1 3.9Å; P84-F96 HydrophobicContact CG-CZ 3.82Å; D94-F96 PolarHBondContact O-N 2.68Å; F96-T98 VanDerWaalsContact C-N 3.27Å; F96-T98 PolarHBondContact O-N 2.84Å; F96-T99 PolarHBondContact O-N 3.09Å; F96-L100 HydrophobicContact CB-CD1 4.3Å; F96-L100 HydrophobicContact CB-CG 4.19Å; F96-L100 WeakPolarHBondContact O-CB 3.39Å; F96-L100 WeakPolarHBondContact O-CG 3.27Å; F96-L100 PolarHBondContact O-N 2.83Å; F96-I110 HydrophobicContact CB-CD1 4.18Å; F96-I110 HydrophobicContact CD1-CD1 4.19Å; F96-I110 HydrophobicContact CD2-CD1 4.19Å; F96-I110 HydrophobicContact CD2-CG2 4.02Å; F96-I110 HydrophobicContact CG-CD1 3.97Å
97	A	78.6	Confident	77.1	Confident	15 Å²	15	50.2 Å²	50.2	12%	0.124	27%	0.274	C	S	.	.	H	α-helix	trans	-56.5	-41.1	-175	0	0	0	0	0	112.5	E90 D94 I95 K101	E90-A97 HydrophobicContact CG-CB 4.42Å; E90-A97 VanDerWaalsContact OE1-CB 3.3Å; E90-A97 WeakPolarHBondContact OE1-CB 3.45Å; D94-A97 HydrophobicContact CB-CB 3.73Å; D94-A97 WeakPolarHBondContact O-CB 3.4Å; D94-A97 PolarHBondContact O-N 3.36Å; D94-A97 VanDerWaalsContact O-N 3.11Å; I95-A97 PolarHBondContact O-N 3.39Å; A97-K101 VanDerWaalsContact O-CB 3.29Å; A97-K101 WeakPolarHBondContact O-CB 3.32Å; A97-K101 WeakPolarHBondContact O-CD 3.05Å; A97-K101 WeakPolarHBondContact O-CG 3.43Å; A97-K101 PolarHBondContact O-N 2.83Å
98	T	79.5	Confident	78.6	Confident	28 Å²	28	49.5 Å²	49.5	17%	0.172	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-46.4	174.9	-66.8	0	0	0	0	112.2	E90 F96 L100 K101 S102 I297	E90-T98 VanDerWaalsContact CD-OG1 3.28Å; E90-T98 WeakPolarHBondContact OE1-CA 3.31Å; E90-T98 WeakPolarHBondContact OE1-CB 3.41Å; E90-T98 PolarHBondContact OE1-N 2.76Å; E90-T98 PolarHBondContact OE1-OG1 2.92Å; E90-T98 PolarHBondContact OE2-OG1 3.12Å; F96-T98 VanDerWaalsContact C-N 3.27Å; F96-T98 PolarHBondContact O-N 2.84Å; T98-L100 PolarHBondContact O-N 2.84Å; T98-K101 PolarHBondContact O-N 3.49Å; T98-S102 PolarHBondContact O-N 3.49Å; T98-I297 WeakPolarHBondContact CG2-O 3.4Å
99	T	80.4	Confident	80.3	Confident	17 Å²	17	44.4 Å²	44.4	10%	0.104	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-45.1	177.9	-49.6	0	0	0	0	111.2	W80 F96 K101 S102 E106 S107 I110	W80-T99 HydrophobicContact CZ2-CG2 4.08Å; F96-T99 PolarHBondContact O-N 3.09Å; T99-K101 PolarHBondContact O-N 3.44Å; T99-S102 VanDerWaalsContact O-CB 3.31Å; T99-S102 WeakPolarHBondContact O-CB 3.42Å; T99-S102 PolarHBondContact O-N 3.29Å; T99-S102 VanDerWaalsContact O-N 3.14Å; T99-S102 PolarHBondContact O-OG 3.26Å; T99-E106 HydrophobicContact CG2-CB 4.28Å; T99-S107 VanDerWaalsContact O-CB 3.3Å; T99-S107 WeakPolarHBondContact O-CB 3.43Å; T99-I110 HydrophobicContact CG2-CD1 3.62Å
100	L	86.9	Confident	82	Confident	55 Å²	55	37 Å²	37	29%	0.288	20%	0.197	S	C	.	.	H	α-helix	trans	-61.9	-43.2	177.2	-71.3	173.4	0	0	0	112.1	F96 T98 S102 G103 I110 E111	F96-L100 HydrophobicContact CB-CD1 4.3Å; F96-L100 HydrophobicContact CB-CG 4.19Å; F96-L100 WeakPolarHBondContact O-CB 3.39Å; F96-L100 WeakPolarHBondContact O-CG 3.27Å; F96-L100 PolarHBondContact O-N 2.83Å; T98-L100 PolarHBondContact O-N 2.84Å; L100-S102 PolarHBondContact O-N 3.17Å; L100-G103 PolarHBondContact O-N 2.97Å; L100-I110 HydrophobicContact CD2-CB 4.03Å; L100-I110 HydrophobicContact CD2-CG2 3.7Å; L100-I110 HydrophobicContact CG-CG2 4.35Å; L100-E111 HydrophobicContact CD2-CG 3.83Å
101	K	87.1	Confident	83.6	Confident	154 Å²	154	37 Å²	37	67%	0.67	20%	0.197	S	C	*	.	H	α-helix	trans	-63.9	-27.6	175.4	-74.9	169.4	-173.8	171.7	0	112.9	A97 T98 T99 G103	A97-K101 VanDerWaalsContact O-CB 3.29Å; A97-K101 WeakPolarHBondContact O-CB 3.32Å; A97-K101 WeakPolarHBondContact O-CD 3.05Å; A97-K101 WeakPolarHBondContact O-CG 3.43Å; A97-K101 PolarHBondContact O-N 2.83Å; T98-K101 PolarHBondContact O-N 3.49Å; T99-K101 PolarHBondContact O-N 3.44Å; K101-G103 PolarHBondContact O-N 2.84Å
102	S	86.8	Confident	85.5	Confident	35 Å²	35	34.3 Å²	34.3	25%	0.245	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-27.6	-178.5	81	0	0	0	0	113.2	T98 T99 L100 S104 N285	T98-S102 PolarHBondContact O-N 3.49Å; T99-S102 VanDerWaalsContact O-CB 3.31Å; T99-S102 WeakPolarHBondContact O-CB 3.42Å; T99-S102 PolarHBondContact O-N 3.29Å; T99-S102 VanDerWaalsContact O-N 3.14Å; T99-S102 PolarHBondContact O-OG 3.26Å; L100-S102 PolarHBondContact O-N 3.17Å; S102-S104 VanDerWaalsContact C-N 3.26Å; S102-S104 PolarHBondContact O-N 3.44Å; S102-S104 WeakPolarHBondContact OG-CB 3.39Å; S102-S104 PolarHBondContact OG-N 3.06Å; S102-S104 PolarHBondContact OG-OG 2.91Å; S102-N285 WeakPolarHBondContact O-CB 3.39Å; S102-N285 PolarHBondContact O-ND2 3.18Å
103	G	91.8	Very high	87.4	Confident	3 Å²	3	29.1 Å²	29.1	3%	0.031	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	27.4	-179.8	0	0	0	0	0	114.5	L100 K101 S107 H284 N285	L100-G103 PolarHBondContact O-N 2.97Å; K101-G103 PolarHBondContact O-N 2.84Å; G103-S107 VanDerWaalsContact C-OG 3.28Å; G103-S107 WeakPolarHBondContact CA-OG 3.4Å; G103-H284 VanDerWaalsContact CA-CE1 3.4Å; G103-H284 WeakPolarHBondContact CA-CE1 3.43Å; G103-H284 PolarHBondContact O-N 3.27Å; G103-N285 PolarHBondContact O-N 3.21Å
104	S	95.4	Very high	89.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-83.7	-177.7	-178.4	76.6	0	0	0	0	113.4	S102 E106 S107 A108 F283	S102-S104 VanDerWaalsContact C-N 3.26Å; S102-S104 PolarHBondContact O-N 3.44Å; S102-S104 WeakPolarHBondContact OG-CB 3.39Å; S102-S104 PolarHBondContact OG-N 3.06Å; S102-S104 PolarHBondContact OG-OG 2.91Å; S104-E106 VanDerWaalsContact C-N 3.27Å; S104-E106 WeakPolarHBondContact CB-OE2 3.45Å; S104-E106 PolarHBondContact OG-N 3.37Å; S104-E106 PolarHBondContact OG-OE2 3.48Å; S104-S107 PolarHBondContact N-OG 3Å; S104-S107 PolarHBondContact O-N 3.27Å; S104-S107 PolarHBondContact O-OG 3Å; S104-S107 PolarHBondContact OG-N 3.16Å; S104-A108 PolarHBondContact O-N 3.38Å; S104-F283 VanDerWaalsContact O-CB 3.27Å; S104-F283 WeakPolarHBondContact O-CB 3.41Å
105	R	96.9	Very high	90.8	Very high	75 Å²	75	25.5 Å²	25.5	28%	0.283	13%	0.132	S	C	.	.	H	α-helix	trans	-64.9	-37.2	174.2	-70.8	174.2	70.5	-178	5.4	111.2	A108 F109 Y249 A253 F283	R105-A108 WeakPolarHBondContact O-CB 3.24Å; R105-A108 PolarHBondContact O-N 2.84Å; R105-F109 PolarHBondContact O-N 3.32Å; R105-F109 VanDerWaalsContact O-N 3.08Å; R105-Y249 HydrophobicContact CB-CD2 4.02Å; R105-Y249 HydrophobicContact CB-CE2 3.44Å; R105-Y249 VanDerWaalsContact CB-CE2 3.44Å; R105-Y249 PolarHBondContact NH2-O 3.44Å; R105-A253 HydrophobicContact CG-CB 4.35Å; R105-F283 HydrophobicContact CB-CD1 4.43Å; R105-F283 HydrophobicContact CG-CD1 3.41Å; R105-F283 VanDerWaalsContact CG-CD1 3.41Å; R105-F283 HydrophobicContact CG-CD2 4.09Å; R105-F283 HydrophobicContact CG-CE1 3.39Å; R105-F283 HydrophobicContact CG-CE2 4.07Å; R105-F283 HydrophobicContact CG-CG 3.75Å; R105-F283 HydrophobicContact CG-CZ 3.72Å
106	E	96.1	Very high	92.1	Very high	7 Å²	7	22.9 Å²	22.9	3%	0.033	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-41.1	-179.8	-58	75	-161.3	0	0	110.1	W80 T99 S104 A108 F109 I110 Y249 S287 Y290	W80-E106 HydrophobicContact CB-CG 4.44Å; W80-E106 HydrophobicContact CD2-CB 3.85Å; W80-E106 HydrophobicContact CD2-CG 3.6Å; W80-E106 HydrophobicContact CE3-CB 3.7Å; W80-E106 HydrophobicContact CE3-CG 3.4Å; W80-E106 HydrophobicContact CG-CG 4.07Å; W80-E106 HydrophobicContact CH2-CB 3.82Å; W80-E106 HydrophobicContact CH2-CG 4.47Å; W80-E106 HydrophobicContact CZ2-CB 3.98Å; W80-E106 HydrophobicContact CZ3-CB 3.68Å; W80-E106 HydrophobicContact CZ3-CG 3.87Å; T99-E106 HydrophobicContact CG2-CB 4.28Å; S104-E106 VanDerWaalsContact C-N 3.27Å; S104-E106 WeakPolarHBondContact CB-OE2 3.45Å; S104-E106 PolarHBondContact OG-N 3.37Å; S104-E106 PolarHBondContact OG-OE2 3.48Å; E106-A108 VanDerWaalsContact C-N 3.3Å; E106-A108 PolarHBondContact O-N 2.9Å; E106-F109 PolarHBondContact O-N 3.12Å; E106-I110 WeakPolarHBondContact O-CG1 3.5Å; E106-I110 PolarHBondContact O-N 3.19Å; E106-Y249 HydrophobicContact CG-CE2 4.4Å; E106-Y249 PolarHBondContact OE1-OH 2.91Å; E106-S287 VanDerWaalsContact OE1-CB 3.31Å; E106-S287 WeakPolarHBondContact OE1-CB 3.45Å; E106-S287 PolarHBondContact OE1-OG 3.08Å; E106-S287 WeakPolarHBondContact OE2-CB 3.44Å; E106-S287 PolarHBondContact OE2-OG 3.09Å; E106-Y290 HydrophobicContact CG-CE2 4.21Å; E106-Y290 WeakPolarHBondContact CG-OH 3.19Å; E106-Y290 PolarHBondContact OE2-OH 2.81Å; E106-Y290 VanDerWaalsContact OE2-OH 3.12Å
107	S	95.1	Very high	93.1	Very high	5 Å²	5	22.3 Å²	22.3	4%	0.035	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-40.3	171.8	73	0	0	0	0	111.7	T99 G103 S104 F109 I110 E111	T99-S107 VanDerWaalsContact O-CB 3.3Å; T99-S107 WeakPolarHBondContact O-CB 3.43Å; G103-S107 VanDerWaalsContact C-OG 3.28Å; G103-S107 WeakPolarHBondContact CA-OG 3.4Å; S104-S107 PolarHBondContact N-OG 3Å; S104-S107 PolarHBondContact O-N 3.27Å; S104-S107 PolarHBondContact O-OG 3Å; S104-S107 PolarHBondContact OG-N 3.16Å; S107-F109 VanDerWaalsContact C-N 3.31Å; S107-F109 PolarHBondContact O-N 3.27Å; S107-I110 PolarHBondContact O-N 3.21Å; S107-E111 WeakPolarHBondContact O-CG 3.27Å; S107-E111 PolarHBondContact O-N 2.82Å
108	A	97.9	Very high	94	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-41	178.3	0	0	0	0	0	112.2	S104 R105 E106 A112 N201 L281 V282	S104-A108 PolarHBondContact O-N 3.38Å; R105-A108 WeakPolarHBondContact O-CB 3.24Å; R105-A108 PolarHBondContact O-N 2.84Å; E106-A108 VanDerWaalsContact C-N 3.3Å; E106-A108 PolarHBondContact O-N 2.9Å; A108-A112 PolarHBondContact O-N 2.99Å; A108-N201 WeakPolarHBondContact CA-ND2 3.34Å; A108-N201 VanDerWaalsContact CB-ND2 3.34Å; A108-N201 WeakPolarHBondContact CB-ND2 3.31Å; A108-L281 HydrophobicContact CB-CB 4.22Å; A108-V282 VanDerWaalsContact CB-O 3.22Å; A108-V282 WeakPolarHBondContact CB-O 3.31Å
109	F	98.2	Very high	94.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-47.4	173.6	-177	-84.6	0	0	0	111.7	C71 Q74 F75 R105 E106 S107 E111 A112 I113 L245 K246 Y249 L281	C71-F109 HydrophobicContact CB-CE1 4.01Å; Q74-F109 HydrophobicContact CB-CZ 4.11Å; Q74-F109 HydrophobicContact CG-CZ 4.12Å; F75-F109 HydrophobicContact CD2-CD1 4.26Å; F75-F109 HydrophobicContact CD2-CE1 4.12Å; F75-F109 HydrophobicContact CD2-CZ 4.45Å; F75-F109 HydrophobicContact CE2-CB 4.36Å; F75-F109 AromaticContact CE2-CD1 3.48Å; F75-F109 HydrophobicContact CE2-CD1 3.48Å; F75-F109 VanDerWaalsContact CE2-CD1 3.48Å; F75-F109 AromaticContact CE2-CD2 3.84Å; F75-F109 HydrophobicContact CE2-CD2 3.84Å; F75-F109 AromaticContact CE2-CE1 3.6Å; F75-F109 HydrophobicContact CE2-CE1 3.6Å; F75-F109 AromaticContact CE2-CE2 3.93Å; F75-F109 HydrophobicContact CE2-CE2 3.93Å; F75-F109 AromaticContact CE2-CG 3.61Å; F75-F109 HydrophobicContact CE2-CG 3.61Å; F75-F109 AromaticContact CE2-CZ 3.83Å; F75-F109 HydrophobicContact CE2-CZ 3.83Å; F75-F109 HydrophobicContact CZ-CB 4.35Å; F75-F109 HydrophobicContact CZ-CD1 4.28Å; F75-F109 HydrophobicContact CZ-CD2 4.22Å; F75-F109 HydrophobicContact CZ-CG 4.02Å; R105-F109 PolarHBondContact O-N 3.32Å; R105-F109 VanDerWaalsContact O-N 3.08Å; E106-F109 PolarHBondContact O-N 3.12Å; S107-F109 VanDerWaalsContact C-N 3.31Å; S107-F109 PolarHBondContact O-N 3.27Å; F109-E111 VanDerWaalsContact C-N 3.32Å; F109-E111 PolarHBondContact O-N 3.41Å; F109-A112 PolarHBondContact O-N 2.77Å; F109-A112 VanDerWaalsContact O-N 3.17Å; F109-I113 HydrophobicContact CD1-CB 4.38Å; F109-I113 HydrophobicContact CD1-CG2 3.95Å; F109-I113 HydrophobicContact CE1-CB 3.9Å; F109-I113 HydrophobicContact CE1-CG1 4.35Å; F109-I113 HydrophobicContact CE1-CG2 3.71Å; F109-I113 HydrophobicContact CZ-CB 4.29Å; F109-I113 WeakPolarHBondContact O-CG2 3.43Å; F109-I113 PolarHBondContact O-N 3.08Å; F109-L245 HydrophobicContact CD2-CB 4.21Å; F109-L245 HydrophobicContact CE2-CB 3.73Å; F109-L245 HydrophobicContact CZ-CB 4.48Å; F109-K246 HydrophobicContact CE2-CB 4.2Å; F109-Y249 HydrophobicContact CB-CD2 4.07Å; F109-L281 HydrophobicContact CB-CD1 4.45Å
110	I	97.1	Very high	95.8	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-56.1	-46.6	179	-68.4	163.6	0	0	0	111	W80 F96 T99 L100 E106 S107 A112 I113 S114	W80-I110 HydrophobicContact CH2-CD1 3.75Å; W80-I110 HydrophobicContact CH2-CG1 3.82Å; W80-I110 HydrophobicContact CZ2-CD1 3.59Å; W80-I110 HydrophobicContact CZ2-CG1 4.18Å; F96-I110 HydrophobicContact CB-CD1 4.18Å; F96-I110 HydrophobicContact CD1-CD1 4.19Å; F96-I110 HydrophobicContact CD2-CD1 4.19Å; F96-I110 HydrophobicContact CD2-CG2 4.02Å; F96-I110 HydrophobicContact CG-CD1 3.97Å; T99-I110 HydrophobicContact CG2-CD1 3.62Å; L100-I110 HydrophobicContact CD2-CB 4.03Å; L100-I110 HydrophobicContact CD2-CG2 3.7Å; L100-I110 HydrophobicContact CG-CG2 4.35Å; E106-I110 WeakPolarHBondContact O-CG1 3.5Å; E106-I110 PolarHBondContact O-N 3.19Å; S107-I110 PolarHBondContact O-N 3.21Å; I110-A112 VanDerWaalsContact C-N 3.32Å; I110-A112 PolarHBondContact O-N 2.77Å; I110-I113 WeakPolarHBondContact O-CG2 3.49Å; I110-S114 WeakPolarHBondContact O-CB 3.5Å; I110-S114 PolarHBondContact O-N 3.41Å; I110-S114 PolarHBondContact O-OG 3.41Å
111	E	97.4	Very high	96.3	Very high	29 Å²	29	19 Å²	19	14%	0.136	9%	0.094	C	C	.	.	H	α-helix	trans	-61.3	-41.9	180	-64.8	-76.7	-148.4	0	0	111.5	L100 S107 F109 T115 T198 N201 H202	L100-E111 HydrophobicContact CD2-CG 3.83Å; S107-E111 WeakPolarHBondContact O-CG 3.27Å; S107-E111 PolarHBondContact O-N 2.82Å; F109-E111 VanDerWaalsContact C-N 3.32Å; F109-E111 PolarHBondContact O-N 3.41Å; E111-T115 WeakPolarHBondContact O-CB 3.42Å; E111-T115 PolarHBondContact O-N 3.5Å; E111-T115 VanDerWaalsContact O-N 3.11Å; E111-T115 PolarHBondContact O-OG1 2.96Å; E111-T198 VanDerWaalsContact OE1-CG2 3.22Å; E111-T198 WeakPolarHBondContact OE1-CG2 3.21Å; E111-T198 PolarHBondContact OE1-OG1 3.43Å; E111-N201 HydrophobicContact CB-CB 3.77Å; E111-H202 IonicContact OE2-CD2 3.32Å; E111-H202 IonicContact OE2-NE2 2.9Å; E111-H202 PolarHBondContact OE2-NE2 3.4Å
112	A	98.5	Very high	96.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-70.1	-48.7	179.5	0	0	0	0	0	112.4	A108 F109 I110 S114 T115 A116 N201 G205 L245 L281	A108-A112 PolarHBondContact O-N 2.99Å; F109-A112 PolarHBondContact O-N 2.77Å; F109-A112 VanDerWaalsContact O-N 3.17Å; I110-A112 VanDerWaalsContact C-N 3.32Å; I110-A112 PolarHBondContact O-N 2.77Å; A112-S114 VanDerWaalsContact C-N 3.35Å; A112-S114 PolarHBondContact O-N 2.95Å; A112-T115 PolarHBondContact O-N 3.24Å; A112-A116 WeakPolarHBondContact O-CB 3.37Å; A112-A116 PolarHBondContact O-N 3.37Å; A112-N201 WeakPolarHBondContact CA-O 3.42Å; A112-G205 WeakPolarHBondContact O-CA 3.4Å; A112-L245 HydrophobicContact CB-CD1 4.08Å; A112-L245 HydrophobicContact CB-CD2 3.92Å; A112-L281 HydrophobicContact CB-CD2 3.63Å
113	I	98.4	Very high	97.4	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-68.9	-33.8	-179.6	-167.9	60.5	0	0	0	111.8	A67 E70 C71 F109 I110 A116 G117 L238 L245	A67-I113 HydrophobicContact CB-CG1 4.3Å; A67-I113 WeakPolarHBondContact CB-O 3.16Å; E70-I113 HydrophobicContact CB-CD1 4.27Å; E70-I113 HydrophobicContact CB-CG1 4.27Å; E70-I113 HydrophobicContact CG-CD1 3.84Å; E70-I113 HydrophobicContact CG-CG1 4.27Å; C71-I113 HydrophobicContact CB-CG2 4.25Å; F109-I113 HydrophobicContact CD1-CB 4.38Å; F109-I113 HydrophobicContact CD1-CG2 3.95Å; F109-I113 HydrophobicContact CE1-CB 3.9Å; F109-I113 HydrophobicContact CE1-CG1 4.35Å; F109-I113 HydrophobicContact CE1-CG2 3.71Å; F109-I113 HydrophobicContact CZ-CB 4.29Å; F109-I113 WeakPolarHBondContact O-CG2 3.43Å; F109-I113 PolarHBondContact O-N 3.08Å; I110-I113 WeakPolarHBondContact O-CG2 3.49Å; I113-A116 PolarHBondContact O-N 2.87Å; I113-G117 PolarHBondContact O-N 2.02Å; I113-L238 HydrophobicContact CD1-CD1 4.27Å; I113-L245 HydrophobicContact CB-CD1 4.12Å; I113-L245 HydrophobicContact CD1-CD1 3.96Å
114	S	97.7	Very high	97.7	Very high	41 Å²	41	12.1 Å²	12.1	29%	0.287	7%	0.065	S	C	.	.	H	α-helix	trans	-67.2	-40.5	175.6	-58.7	0	0	0	0	111.3	I110 A112 G117 L118	I110-S114 WeakPolarHBondContact O-CB 3.5Å; I110-S114 PolarHBondContact O-N 3.41Å; I110-S114 PolarHBondContact O-OG 3.41Å; A112-S114 VanDerWaalsContact C-N 3.35Å; A112-S114 PolarHBondContact O-N 2.95Å; S114-G117 PolarHBondContact O-N 2.61Å; S114-L118 WeakPolarHBondContact O-CB 3.3Å; S114-L118 PolarHBondContact O-N 3.14Å
115	T	98.4	Very high	97.7	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-65.4	-43.2	174.1	-57.8	0	0	0	0	111.6	E111 A112 L118 V119 L179 H202 R206	E111-T115 WeakPolarHBondContact O-CB 3.42Å; E111-T115 PolarHBondContact O-N 3.5Å; E111-T115 VanDerWaalsContact O-N 3.11Å; E111-T115 PolarHBondContact O-OG1 2.96Å; A112-T115 PolarHBondContact O-N 3.24Å; T115-L118 PolarHBondContact O-N 3.31Å; T115-V119 WeakPolarHBondContact O-CG2 3.21Å; T115-V119 PolarHBondContact O-N 3.02Å; T115-L179 HydrophobicContact CG2-CD1 3.85Å; T115-L179 WeakPolarHBondContact OG1-CD1 3.37Å; T115-H202 HydrophobicContact CG2-CB 4.3Å; T115-H202 VanDerWaalsContact CG2-O 3.32Å; T115-H202 WeakPolarHBondContact CG2-O 3.46Å; T115-H202 WeakPolarHBondContact OG1-CA 3.15Å; T115-H202 PolarHBondContact OG1-CD2 3.13Å; T115-R206 HydrophobicContact CG2-CG 3.6Å
116	A	98.6	Very high	97.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.1	-46.2	176.2	0	0	0	0	0	111.8	A112 I113 L118 V119 H120 I209 I241 L245	A112-A116 WeakPolarHBondContact O-CB 3.37Å; A112-A116 PolarHBondContact O-N 3.37Å; I113-A116 PolarHBondContact O-N 2.87Å; A116-L118 VanDerWaalsContact C-N 3.32Å; A116-L118 PolarHBondContact O-N 3.3Å; A116-V119 PolarHBondContact O-N 3.49Å; A116-H120 VanDerWaalsContact O-CB 3.25Å; A116-H120 WeakPolarHBondContact O-CB 3.24Å; A116-H120 PolarHBondContact O-N 3.44Å; A116-I209 HydrophobicContact CB-CD1 3.8Å; A116-I209 HydrophobicContact CB-CG1 4.25Å; A116-I209 VanDerWaalsContact O-CD1 3.23Å; A116-I209 WeakPolarHBondContact O-CD1 3.03Å; A116-I241 HydrophobicContact CB-CG2 3.77Å; A116-L245 HydrophobicContact CB-CD1 4.39Å
117	G	98.3	Very high	97.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.7	-39	176.7	0	0	0	0	0	112.7	G63 I113 S114 S121	G63-G117 VanDerWaalsContact CA-O 3.3Å; G63-G117 WeakPolarHBondContact CA-O 3.34Å; I113-G117 PolarHBondContact O-N 2.02Å; S114-G117 PolarHBondContact O-N 2.61Å; G117-S121 WeakPolarHBondContact O-CB 3.45Å; G117-S121 PolarHBondContact O-N 2.88Å; G117-S121 PolarHBondContact O-OG 3.42Å
118	L	98.2	Very high	97.7	Very high	9 Å²	9	13.1 Å²	13.1	5%	0.047	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-49.9	173.4	173.2	60.8	0	0	0	112.1	V60 S114 T115 A116 H120 S121 V122 F174 A175 F178 L179	V60-L118 HydrophobicContact CB-CD1 4.15Å; V60-L118 HydrophobicContact CG1-CD1 4.14Å; V60-L118 HydrophobicContact CG2-CD1 3.78Å; S114-L118 WeakPolarHBondContact O-CB 3.3Å; S114-L118 PolarHBondContact O-N 3.14Å; T115-L118 PolarHBondContact O-N 3.31Å; A116-L118 VanDerWaalsContact C-N 3.32Å; A116-L118 PolarHBondContact O-N 3.3Å; L118-H120 VanDerWaalsContact C-N 3.35Å; L118-S121 PolarHBondContact O-OG 2.8Å; L118-V122 HydrophobicContact CD1-CG2 3.89Å; L118-V122 WeakPolarHBondContact O-CB 3.32Å; L118-V122 VanDerWaalsContact O-CG2 3.24Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 3.5Å; L118-V122 VanDerWaalsContact O-N 3.09Å; L118-F174 HydrophobicContact CD1-CD1 4.32Å; L118-F174 HydrophobicContact CD1-CE1 4.09Å; L118-A175 HydrophobicContact CD2-CB 3.89Å; L118-A175 HydrophobicContact CG-CB 4.27Å; L118-F178 HydrophobicContact CD2-CD1 3.97Å; L118-L179 HydrophobicContact CD2-CD1 3.82Å; L118-L179 HydrophobicContact CD2-CD2 4.32Å; L118-L179 HydrophobicContact CD2-CG 3.91Å
119	V	98.6	Very high	97.6	Very high	0 Å²	0	16 Å²	16	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-47.3	178.4	171.5	0	0	0	0	110.1	T115 A116 S121 V122 V123 I168 L172 A175 R206 I209	T115-V119 WeakPolarHBondContact O-CG2 3.21Å; T115-V119 PolarHBondContact O-N 3.02Å; A116-V119 PolarHBondContact O-N 3.49Å; V119-S121 PolarHBondContact O-N 2.92Å; V119-V122 PolarHBondContact O-N 3.46Å; V119-V123 HydrophobicContact CG1-CG2 4.22Å; V119-V123 WeakPolarHBondContact O-CB 3.27Å; V119-V123 WeakPolarHBondContact O-CG2 3.16Å; V119-V123 PolarHBondContact O-N 2.74Å; V119-I168 HydrophobicContact CG1-CD1 3.47Å; V119-I168 VanDerWaalsContact CG1-CD1 3.47Å; V119-L172 HydrophobicContact CG1-CD2 4.35Å; V119-L172 HydrophobicContact CG2-CD2 4.35Å; V119-A175 HydrophobicContact CG2-CB 3.54Å; V119-R206 HydrophobicContact CG2-CG 4.15Å; V119-I209 HydrophobicContact CB-CD1 3.8Å; V119-I209 HydrophobicContact CG1-CD1 3.84Å; V119-I209 HydrophobicContact CG1-CG2 4.45Å
120	H	98.5	Very high	97.3	Very high	30 Å²	30	21.9 Å²	21.9	14%	0.139	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-49.4	-179.1	-175.1	-72.9	0	0	0	111.2	A116 L118 S124 I209 M235 L238	A116-H120 VanDerWaalsContact O-CB 3.25Å; A116-H120 WeakPolarHBondContact O-CB 3.24Å; A116-H120 PolarHBondContact O-N 3.44Å; L118-H120 VanDerWaalsContact C-N 3.35Å; H120-S124 WeakPolarHBondContact O-CB 3.29Å; H120-S124 PolarHBondContact O-N 3.34Å; H120-S124 PolarHBondContact O-OG 3.24Å; H120-I209 HydrophobicContact CB-CD1 4.5Å; H120-M235 WeakPolarHBondContact O-CE 3.25Å; H120-L238 HydrophobicContact CB-CD1 4.33Å
121	S	98.2	Very high	97.1	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-40.4	-178.6	67.8	0	0	0	0	113.2	S59 G63 G117 L118 V119 A125	S59-S121 VanDerWaalsContact O-CB 3.27Å; S59-S121 WeakPolarHBondContact O-CB 3.33Å; S59-S121 PolarHBondContact O-OG 3.02Å; G63-S121 VanDerWaalsContact CA-CB 3.44Å; G63-S121 VanDerWaalsContact CA-OG 3.26Å; G63-S121 WeakPolarHBondContact CA-OG 3.48Å; G63-S121 PolarHBondContact N-OG 3.02Å; G117-S121 WeakPolarHBondContact O-CB 3.45Å; G117-S121 PolarHBondContact O-N 2.88Å; G117-S121 PolarHBondContact O-OG 3.42Å; L118-S121 PolarHBondContact O-OG 2.8Å; V119-S121 PolarHBondContact O-N 2.92Å; S121-A125 WeakPolarHBondContact O-CB 3.07Å; S121-A125 PolarHBondContact O-N 2.74Å
122	V	97.9	Very high	96.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-49.2	177.8	170.1	0	0	0	0	110.4	T56 L118 V119 A125 C126 Y170 F174	T56-V122 HydrophobicContact CG2-CG1 4.05Å; T56-V122 HydrophobicContact CG2-CG2 3.83Å; L118-V122 HydrophobicContact CD1-CG2 3.89Å; L118-V122 WeakPolarHBondContact O-CB 3.32Å; L118-V122 VanDerWaalsContact O-CG2 3.24Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 3.5Å; L118-V122 VanDerWaalsContact O-N 3.09Å; V119-V122 PolarHBondContact O-N 3.46Å; V122-A125 WeakPolarHBondContact O-CB 3.48Å; V122-A125 PolarHBondContact O-N 3.38Å; V122-C126 PolarHBondContact O-N 3.04Å; V122-C126 PolarHBondContact O-SG 3.19Å; V122-Y170 HydrophobicContact CG1-CD1 3.83Å; V122-Y170 HydrophobicContact CG1-CE1 3.66Å; V122-F174 HydrophobicContact CG1-CB 4.5Å; V122-F174 HydrophobicContact CG1-CG 4.48Å; V122-F174 HydrophobicContact CG2-CD1 4.01Å; V122-F174 HydrophobicContact CG2-CE1 4.23Å
123	V	98.1	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-42.3	-179.3	176.3	0	0	0	0	111	V119 A125 C126 T127 D166 I168 M235	V119-V123 HydrophobicContact CG1-CG2 4.22Å; V119-V123 WeakPolarHBondContact O-CB 3.27Å; V119-V123 WeakPolarHBondContact O-CG2 3.16Å; V119-V123 PolarHBondContact O-N 2.74Å; V123-A125 VanDerWaalsContact C-N 3.26Å; V123-A125 PolarHBondContact O-N 3.23Å; V123-C126 WeakPolarHBondContact O-CB 3.41Å; V123-C126 PolarHBondContact O-N 3.5Å; V123-C126 VanDerWaalsContact O-N 3.14Å; V123-T127 PolarHBondContact O-N 2.56Å; V123-T127 PolarHBondContact O-OG1 3.23Å; V123-T127 VanDerWaalsContact O-OG1 3.1Å; V123-D166 HydrophobicContact CG1-CB 3.65Å; V123-I168 HydrophobicContact CG2-CD1 4.29Å; V123-M235 HydrophobicContact CB-CE 3.49Å; V123-M235 VanDerWaalsContact CB-CE 3.49Å; V123-M235 HydrophobicContact CB-SD 3.54Å; V123-M235 VanDerWaalsContact CB-SD 3.54Å; V123-M235 HydrophobicContact CG1-CE 3.46Å; V123-M235 VanDerWaalsContact CG1-CE 3.46Å; V123-M235 HydrophobicContact CG1-CG 4.26Å; V123-M235 HydrophobicContact CG1-SD 3.55Å; V123-M235 VanDerWaalsContact CG1-SD 3.55Å; V123-M235 HydrophobicContact CG2-SD 3.98Å
124	S	97.3	Very high	96.4	Very high	46 Å²	46	30.2 Å²	30.2	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-59.7	-37.4	174.8	-65.7	0	0	0	0	112.2	H120 A128	H120-S124 WeakPolarHBondContact O-CB 3.29Å; H120-S124 PolarHBondContact O-N 3.34Å; H120-S124 PolarHBondContact O-OG 3.24Å; S124-A128 VanDerWaalsContact O-CB 3.28Å; S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 2.9Å
125	A	97.2	Very high	96.3	Very high	8 Å²	8	31.6 Å²	31.6	7%	0.066	21%	0.209	C	C	.	.	H	α-helix	trans	-67.8	-39.8	175.3	0	0	0	0	0	112.5	S59 S121 V122 V123 A128 G129 N130 V131	S59-A125 WeakPolarHBondContact OG-CB 3.41Å; S121-A125 WeakPolarHBondContact O-CB 3.07Å; S121-A125 PolarHBondContact O-N 2.74Å; V122-A125 WeakPolarHBondContact O-CB 3.48Å; V122-A125 PolarHBondContact O-N 3.38Å; V123-A125 VanDerWaalsContact C-N 3.26Å; V123-A125 PolarHBondContact O-N 3.23Å; A125-A128 PolarHBondContact O-N 3.03Å; A125-G129 PolarHBondContact O-N 2.78Å; A125-G129 VanDerWaalsContact O-N 3.15Å; A125-N130 HydrophobicContact CB-CB 4.42Å; A125-N130 PolarHBondContact O-N 3.04Å; A125-V131 HydrophobicContact CB-CG1 3.96Å; A125-V131 HydrophobicContact CB-CG2 4.03Å
126	C	97.2	Very high	96.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-48.2	173.8	-55.8	0	0	0	0	111.1	V122 V123 A128 G129 C134 Y170	V122-C126 PolarHBondContact O-N 3.04Å; V122-C126 PolarHBondContact O-SG 3.19Å; V123-C126 WeakPolarHBondContact O-CB 3.41Å; V123-C126 PolarHBondContact O-N 3.5Å; V123-C126 VanDerWaalsContact O-N 3.14Å; C126-A128 VanDerWaalsContact C-N 3.31Å; C126-A128 PolarHBondContact O-N 3.3Å; C126-G129 PolarHBondContact O-N 3.47Å; C126-C134 VanDerWaalsContact CA-SG 3.55Å; C126-C134 HydrophobicContact CB-CB 3.81Å; C126-C134 WeakPolarHBondContact CB-SG 3.34Å; C126-C134 WeakPolarHBondContact SG-CB 3.34Å; C126-C134 CovalentContact SG-SG 2.01Å; C126-C134 PolarHBondContact SG-SG 2.84Å; C126-Y170 VanDerWaalsContact SG-CD1 3.59Å
127	T	95.8	Very high	96	Very high	39 Å²	39	35.3 Å²	35.3	24%	0.239	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-36.8	-179.5	-60.8	0	0	0	0	111.7	V123 G129 C164 D166	V123-T127 PolarHBondContact O-N 2.56Å; V123-T127 PolarHBondContact O-OG1 3.23Å; V123-T127 VanDerWaalsContact O-OG1 3.1Å; T127-G129 VanDerWaalsContact C-N 3.3Å; T127-G129 PolarHBondContact O-N 2.97Å; T127-C164 VanDerWaalsContact CA-SG 3.6Å; T127-C164 HydrophobicContact CG2-CB 4.3Å; T127-C164 WeakPolarHBondContact CG2-SG 3.39Å; T127-C164 PolarHBondContact O-SG 2.77Å; T127-C164 VanDerWaalsContact O-SG 3.38Å; T127-D166 WeakPolarHBondContact CB-OD1 3.02Å; T127-D166 VanDerWaalsContact CG2-OD1 3.25Å; T127-D166 WeakPolarHBondContact CG2-OD1 3.41Å; T127-D166 PolarHBondContact OG1-OD1 2.94Å
128	A	95.3	Very high	95.8	Very high	61 Å²	61	40.2 Å²	40.2	50%	0.504	26%	0.256	S	S	.	.	H	α-helix	trans	-77.4	-12.2	177.7	0	0	0	0	0	114	S124 A125 C126 N130	S124-A128 VanDerWaalsContact O-CB 3.28Å; S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 2.9Å; A125-A128 PolarHBondContact O-N 3.03Å; C126-A128 VanDerWaalsContact C-N 3.31Å; C126-A128 PolarHBondContact O-N 3.3Å; A128-N130 VanDerWaalsContact C-N 3.3Å
129	G	94.6	Very high	95.6	Very high	59 Å²	59	43.3 Å²	43.3	61%	0.608	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	20	-173.7	0	0	0	0	0	114	A125 C126 T127 V131	A125-G129 PolarHBondContact O-N 2.78Å; A125-G129 VanDerWaalsContact O-N 3.15Å; C126-G129 PolarHBondContact O-N 3.47Å; T127-G129 VanDerWaalsContact C-N 3.3Å; T127-G129 PolarHBondContact O-N 2.97Å; G129-V131 VanDerWaalsContact C-N 3.31Å
130	N	92.9	Very high	95.3	Very high	124 Å²	124	49.2 Å²	49.2	66%	0.663	30%	0.301	S	S	*	.			trans	-82	-9.4	-177.7	-75.6	-2.9	0	0	0	113.6	A125 A128	A125-N130 HydrophobicContact CB-CB 4.42Å; A125-N130 PolarHBondContact O-N 3.04Å; A128-N130 VanDerWaalsContact C-N 3.3Å
131	V	92	Very high	94.9	Very high	10 Å²	10	53.1 Å²	53.1	6%	0.061	32%	0.319	C	S	.	.			trans	-130.5	145.7	-179.2	-68.9	0	0	0	0	109.3	A125 G129 C134	A125-V131 HydrophobicContact CB-CG1 3.96Å; A125-V131 HydrophobicContact CB-CG2 4.03Å; G129-V131 VanDerWaalsContact C-N 3.31Å; V131-C134 WeakPolarHBondContact CG2-SG 3.37Å
132	T	91.4	Very high	94.5	Very high	133 Å²	133	55.3 Å²	55.3	82%	0.816	34%	0.343	S	S	*	.	S	Bend	trans	-88.8	-16.5	-179.3	54	0	0	0	0	112.8	S55 C134	S55-T132 PolarHBondContact OG-N 3.34Å; T132-C134 PolarHBondContact O-N 3.31Å
133	D	92.4	Very high	94.2	Very high	49 Å²	49	60.2 Å²	60.2	26%	0.262	37%	0.367	S	S	.	.	S	Bend	trans	-71.9	-16.9	-175.9	-64.2	-67.7	0	0	0	113.4	H53 S55 T56 Y170	H53-D133 IonicContact CE1-OD1 3.09Å; H53-D133 IonicContact CG-OD1 3.86Å; H53-D133 IonicContact ND1-OD1 3.25Å; H53-D133 PolarHBondContact ND1-OD1 2.8Å; S55-D133 PolarHBondContact OG-OD2 2.93Å; T56-D133 PolarHBondContact N-OD2 3.04Å; T56-D133 PolarHBondContact OG1-OD2 3.26Å; D133-Y170 WeakPolarHBondContact CB-OH 3.3Å; D133-Y170 WeakPolarHBondContact O-CE2 3.47Å
134	C	95.5	Very high	93.7	Very high	17 Å²	17	62.7 Å²	62.7	12%	0.115	39%	0.387	C	S	.	.			trans	-156.8	162.6	-175.3	55.1	0	0	0	0	112	C126 V131 T132 Y170	C126-C134 VanDerWaalsContact CA-SG 3.55Å; C126-C134 HydrophobicContact CB-CB 3.81Å; C126-C134 WeakPolarHBondContact CB-SG 3.34Å; C126-C134 WeakPolarHBondContact SG-CB 3.34Å; C126-C134 CovalentContact SG-SG 2.01Å; C126-C134 PolarHBondContact SG-SG 2.84Å; V131-C134 WeakPolarHBondContact CG2-SG 3.37Å; T132-C134 PolarHBondContact O-N 3.31Å; C134-Y170 HydrophobicContact CB-CD1 3.57Å; C134-Y170 HydrophobicContact CB-CD2 3.83Å; C134-Y170 HydrophobicContact CB-CE1 3.69Å; C134-Y170 HydrophobicContact CB-CE2 3.92Å; C134-Y170 HydrophobicContact CB-CG 3.67Å; C134-Y170 VanDerWaalsContact SG-CE1 3.57Å
135	S	95.7	Very high	93	Very high	70 Å²	70	61.2 Å²	61.2	49%	0.49	38%	0.378	S	S	.	.			trans	-138.3	-178.7	174.5	63.1	0	0	0	0	110.7	N167	S135-N167 WeakPolarHBondContact O-CB 3.4Å; S135-N167 PolarHBondContact O-ND2 3.36Å
136	C	95.6	Very high	92.1	Very high	28 Å²	28	66.6 Å²	66.6	19%	0.189	40%	0.4	C	S	.	.			trans	-49.3	151	169.4	-48.7	0	0	0	0	112.3	L138 C164	C136-L138 HydrophobicContact CB-CD2 4.09Å; C136-L138 HydrophobicContact CB-CG 4.44Å; C136-L138 PolarHBondContact O-N 3.27Å; C136-C164 HydrophobicContact CB-CB 3.92Å; C136-C164 WeakPolarHBondContact CB-SG 3.47Å; C136-C164 WeakPolarHBondContact SG-CB 3.49Å; C136-C164 CovalentContact SG-SG 2.01Å; C136-C164 PolarHBondContact SG-SG 3.11Å
137	D	96.1	Very high	90.8	Very high	51 Å²	51	69 Å²	69	27%	0.273	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-76.7	105.6	166.2	-175.9	2.2	0	0	0	110	S139 S165 N167	D137-S139 WeakPolarHBondContact OD1-CB 3.4Å; D137-S139 PolarHBondContact OD1-N 3.46Å; D137-S139 PolarHBondContact OD1-OG 3Å; D137-S139 PolarHBondContact OD2-OG 2.02Å; D137-S165 PolarHBondContact N-O 2.98Å; D137-S165 WeakPolarHBondContact O-CB 3.32Å; D137-N167 HydrophobicContact CB-CB 4.27Å
138	L	94.3	Very high	89.3	Confident	102 Å²	102	75.2 Å²	75.2	53%	0.534	44%	0.443	S	S	.	.			trans	-96.2	4.3	178.7	-59	179.1	0	0	0	113	C136 R140 H141	C136-L138 HydrophobicContact CB-CD2 4.09Å; C136-L138 HydrophobicContact CB-CG 4.44Å; C136-L138 PolarHBondContact O-N 3.27Å; L138-R140 PolarHBondContact O-N 3.01Å; L138-H141 HydrophobicContact CB-CB 4.36Å; L138-H141 HydrophobicContact CD2-CB 4.41Å; L138-H141 WeakPolarHBondContact O-CB 3.33Å; L138-H141 PolarHBondContact O-N 2.76Å
139	S	94.1	Very high	87.8	Confident	75 Å²	75	73.3 Å²	73.3	52%	0.524	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.9	-172.7	61.4	0	0	0	0	114.4	D137 M143	D137-S139 WeakPolarHBondContact OD1-CB 3.4Å; D137-S139 PolarHBondContact OD1-N 3.46Å; D137-S139 PolarHBondContact OD1-OG 3Å; D137-S139 PolarHBondContact OD2-OG 2.02Å; S139-M143 WeakPolarHBondContact O-CE 3.43Å
140	R	91.7	Very high	86.3	Confident	123 Å²	123	78.4 Å²	78.4	46%	0.464	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-3.8	178	-59.5	-177.3	-176.3	178.1	-1.5	113.4	L138 G142 M143 W161	L138-R140 PolarHBondContact O-N 3.01Å; R140-G142 PolarHBondContact O-N 2.77Å; R140-M143 HydrophobicContact CB-SD 4.38Å; R140-M143 VanDerWaalsContact O-CB 3.28Å; R140-M143 WeakPolarHBondContact O-CB 3.22Å; R140-M143 WeakPolarHBondContact O-CG 3.47Å; R140-M143 PolarHBondContact O-N 3.47Å; R140-W161 HydrophobicContact CB-CB 4.05Å; R140-W161 HydrophobicContact CB-CD2 3.86Å; R140-W161 HydrophobicContact CB-CE3 4.36Å; R140-W161 HydrophobicContact CB-CG 3.73Å; R140-W161 WeakPolarHBondContact O-CB 3.3Å
141	H	90.8	Very high	84.8	Confident	112 Å²	112	77.9 Å²	77.9	52%	0.519	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	130.6	-170.9	-173.5	-81.5	0	0	0	111.5	L138 M143	L138-H141 HydrophobicContact CB-CB 4.36Å; L138-H141 HydrophobicContact CD2-CB 4.41Å; L138-H141 WeakPolarHBondContact O-CB 3.33Å; L138-H141 PolarHBondContact O-N 2.76Å; H141-M143 VanDerWaalsContact C-N 3.27Å; H141-M143 PolarHBondContact O-N 2.87Å
142	G	88.9	Confident	83.4	Confident	52 Å²	52	83.7 Å²	83.7	54%	0.536	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-13	-178.5	0	0	0	0	0	115.1	R140 A144 W161	R140-G142 PolarHBondContact O-N 2.77Å; G142-A144 PolarHBondContact O-N 2.94Å; G142-W161 WeakPolarHBondContact CA-O 3.31Å; G142-W161 PolarHBondContact N-O 3.38Å
143	M	91	Very high	82	Confident	105 Å²	105	84.7 Å²	84.7	52%	0.517	48%	0.478	S	S	.	.			trans	-68.4	132.7	178.4	-62.6	-178.3	-174.3	0	0	110.8	S139 R140 H141 W161	S139-M143 WeakPolarHBondContact O-CE 3.43Å; R140-M143 HydrophobicContact CB-SD 4.38Å; R140-M143 VanDerWaalsContact O-CB 3.28Å; R140-M143 WeakPolarHBondContact O-CB 3.22Å; R140-M143 WeakPolarHBondContact O-CG 3.47Å; R140-M143 PolarHBondContact O-N 3.47Å; H141-M143 VanDerWaalsContact C-N 3.27Å; H141-M143 PolarHBondContact O-N 2.87Å; M143-W161 PolarHBondContact O-N 2.79Å
144	A	87.1	Confident	80.6	Confident	51 Å²	51	86.5 Å²	86.5	42%	0.421	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.4	169.1	0	0	0	0	0	109.6	G142 F146	G142-A144 PolarHBondContact O-N 2.94Å; A144-F146 HydrophobicContact CB-CE2 4.11Å
145	A	84	Confident	79	Confident	15 Å²	15	91.9 Å²	91.9	12%	0.124	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146	173.9	0	0	0	0	0	109.5	W159	A145-W159 HydrophobicContact CB-CD2 3.8Å; A145-W159 HydrophobicContact CB-CE3 4.15Å; A145-W159 HydrophobicContact CB-CG 4.5Å; A145-W159 HydrophobicContact CB-CH2 3.83Å; A145-W159 HydrophobicContact CB-CZ2 3.37Å; A145-W159 HydrophobicContact CB-CZ3 4.14Å; A145-W159 PolarHBondContact N-O 2.89Å; A145-W159 PolarHBondContact O-N 3.22Å
146	F	77	Confident	77.6	Confident	122 Å²	122	90.3 Å²	90.3	54%	0.535	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.5	-178.9	-62.7	-93.4	0	0	0	106.7	A144 R158	A144-F146 HydrophobicContact CB-CE2 4.11Å; F146-R158 HydrophobicContact CD1-CB 4.05Å; F146-R158 HydrophobicContact CD1-CG 3.86Å; F146-R158 HydrophobicContact CE1-CB 3.98Å; F146-R158 VanDerWaalsContact CE1-CD 3.45Å; F146-R158 HydrophobicContact CE1-CG 3.42Å; F146-R158 VanDerWaalsContact CE1-CG 3.42Å; F146-R158 HydrophobicContact CZ-CG 3.96Å; F146-R158 VanDerWaalsContact CZ-NE 3.29Å
147	S	70.5	Confident	76.6	Confident	52 Å²	52	92.9 Å²	92.9	36%	0.364	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.8	163.8	-162.9	0	0	0	0	106.9	G149 G156 E157	S147-G149 PolarHBondContact O-N 3.29Å; S147-G156 CarbonylContact O-C 3.38Å; S147-G156 WeakPolarHBondContact O-CA 3.37Å; S147-E157 PolarHBondContact N-O 3.42Å; S147-E157 PolarHBondContact O-N 3.24Å; S147-E157 VanDerWaalsContact O-N 3.1Å
148	H	65	Low	76	Confident	168 Å²	168	97.8 Å²	97.8	78%	0.778	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-64	133.6	160.8	-78	-71.1	0	0	0	107.6
149	G	62.5	Low	75.8	Confident	21 Å²	21	93.7 Å²	93.7	22%	0.216	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-62.6	149.3	169.2	0	0	0	0	0	109.9	S147 N151 D154	S147-G149 PolarHBondContact O-N 3.29Å; G149-N151 PolarHBondContact O-N 3Å; G149-D154 WeakPolarHBondContact CA-OD2 3.37Å
150	N	63.1	Low	75.7	Confident	166 Å²	166	97.8 Å²	97.8	89%	0.888	52%	0.519	S	S	*	.	S	Bend	trans	-69.1	-14.4	178.8	-76.1	-19.9	0	0	0	112.2
151	N	62.5	Low	75.8	Confident	114 Å²	114	93.5 Å²	93.5	61%	0.61	50%	0.504	S	S	*	.	S	Bend	trans	-117.5	147	176.3	-81.8	-27.8	0	0	0	110.6	G149 N153 D154	G149-N151 PolarHBondContact O-N 3Å; N151-N153 PolarHBondContact O-N 3.18Å; N151-N153 VanDerWaalsContact O-N 3.09Å; N151-D154 HydrophobicContact CB-CB 4.25Å; N151-D154 WeakPolarHBondContact O-CB 3.48Å; N151-D154 PolarHBondContact O-N 3.13Å
152	P	62	Low	75.9	Confident	131 Å²	131	88.4 Å²	88.4	85%	0.851	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21	176.4	10.2	-15.5	0	0	0	114
153	N	61.4	Low	76.1	Confident	155 Å²	155	88 Å²	88	83%	0.829	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-5.9	176.2	-63.6	-16.8	0	0	0	113.7	N151 V155	N151-N153 PolarHBondContact O-N 3.18Å; N151-N153 VanDerWaalsContact O-N 3.09Å; N153-V155 PolarHBondContact O-N 3.34Å
154	D	63.3	Low	76.3	Confident	87 Å²	87	84.7 Å²	84.7	47%	0.465	46%	0.463	S	S	.	.	S	Bend	trans	-89	106.4	-178.2	-174.9	22.3	0	0	0	108.7	G149 N151 G156	G149-D154 WeakPolarHBondContact CA-OD2 3.37Å; N151-D154 HydrophobicContact CB-CB 4.25Å; N151-D154 WeakPolarHBondContact O-CB 3.48Å; N151-D154 PolarHBondContact O-N 3.13Å; D154-G156 PolarHBondContact O-N 2.92Å
155	V	62.5	Low	76.8	Confident	130 Å²	130	82.7 Å²	82.7	79%	0.788	45%	0.447	S	S	*	.			trans	-61.1	109.7	-178.8	-176.2	0	0	0	0	107.4	N153 E157	N153-V155 PolarHBondContact O-N 3.34Å; V155-E157 PolarHBondContact O-N 3.49Å
156	G	66.8	Low	77.4	Confident	36 Å²	36	82.6 Å²	82.6	37%	0.371	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-49.1	127.6	-173.5	0	0	0	0	0	112.4	S147 D154 R158	S147-G156 CarbonylContact O-C 3.38Å; S147-G156 WeakPolarHBondContact O-CA 3.37Å; D154-G156 PolarHBondContact O-N 2.92Å; G156-R158 PolarHBondContact O-N 3.17Å
157	E	74.4	Confident	78.4	Confident	83 Å²	83	78.3 Å²	78.3	39%	0.388	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116.4	-176.9	-62.1	-171.9	134.7	0	0	110.3	S147 V155 K229	S147-E157 PolarHBondContact N-O 3.42Å; S147-E157 PolarHBondContact O-N 3.24Å; S147-E157 VanDerWaalsContact O-N 3.1Å; V155-E157 PolarHBondContact O-N 3.49Å; E157-K229 IonicContact OE1-NZ 2.61Å; E157-K229 PolarHBondContact OE1-NZ 3.07Å; E157-K229 IonicContact OE2-NZ 2.77Å; E157-K229 PolarHBondContact OE2-NZ 2.98Å
158	R	83.8	Confident	79.6	Confident	153 Å²	153	76.9 Å²	76.9	58%	0.577	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.6	170.2	-166.9	174.2	-165.7	170.9	3.3	109.9	F146 G156	F146-R158 HydrophobicContact CD1-CB 4.05Å; F146-R158 HydrophobicContact CD1-CG 3.86Å; F146-R158 HydrophobicContact CE1-CB 3.98Å; F146-R158 VanDerWaalsContact CE1-CD 3.45Å; F146-R158 HydrophobicContact CE1-CG 3.42Å; F146-R158 VanDerWaalsContact CE1-CG 3.42Å; F146-R158 HydrophobicContact CZ-CG 3.96Å; F146-R158 VanDerWaalsContact CZ-NE 3.29Å; G156-R158 PolarHBondContact O-N 3.17Å
159	W	89.7	Confident	81.2	Confident	17 Å²	17	77.9 Å²	77.9	6%	0.064	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	169.3	174.3	59.7	-79.8	0	0	0	109.8	A145 W161 R215 K229 C231	A145-W159 HydrophobicContact CB-CD2 3.8Å; A145-W159 HydrophobicContact CB-CE3 4.15Å; A145-W159 HydrophobicContact CB-CG 4.5Å; A145-W159 HydrophobicContact CB-CH2 3.83Å; A145-W159 HydrophobicContact CB-CZ2 3.37Å; A145-W159 HydrophobicContact CB-CZ3 4.14Å; A145-W159 PolarHBondContact N-O 2.89Å; A145-W159 PolarHBondContact O-N 3.22Å; W159-W161 AromaticContact CH2-CD2 3.53Å; W159-W161 HydrophobicContact CH2-CD2 3.53Å; W159-W161 AromaticContact CH2-CE2 3.2Å; W159-W161 AromaticContact CH2-CE3 3.94Å; W159-W161 HydrophobicContact CH2-CE3 3.94Å; W159-W161 HydrophobicContact CH2-CG 4.11Å; W159-W161 AromaticContact CH2-CH2 3.78Å; W159-W161 HydrophobicContact CH2-CH2 3.78Å; W159-W161 AromaticContact CH2-CZ2 3.37Å; W159-W161 HydrophobicContact CH2-CZ2 3.37Å; W159-W161 HydrophobicContact CH2-CZ3 4.04Å; W159-W161 AromaticContact CH2-NE1 3.55Å; W159-W161 HydrophobicContact CZ2-CZ2 4.23Å; W159-W161 HydrophobicContact CZ3-CB 4.4Å; W159-W161 AromaticContact CZ3-CD1 3.93Å; W159-W161 AromaticContact CZ3-CD2 3.42Å; W159-W161 HydrophobicContact CZ3-CD2 3.42Å; W159-W161 VanDerWaalsContact CZ3-CD2 3.42Å; W159-W161 AromaticContact CZ3-CE2 3.63Å; W159-W161 AromaticContact CZ3-CE3 3.78Å; W159-W161 HydrophobicContact CZ3-CE3 3.78Å; W159-W161 AromaticContact CZ3-CG 3.69Å; W159-W161 HydrophobicContact CZ3-CG 3.69Å; W159-W161 HydrophobicContact CZ3-CH2 4.44Å; W159-W161 HydrophobicContact CZ3-CZ2 4.17Å; W159-W161 HydrophobicContact CZ3-CZ3 4.26Å; W159-W161 AromaticContact CZ3-NE1 3.89Å; W159-R215 VanDerWaalsContact CD1-NH1 3.32Å; W159-R215 HydrophobicContact CH2-CG 4.28Å; W159-R215 VanDerWaalsContact CZ2-CD 3.45Å; W159-K229 HydrophobicContact CB-CD 4.48Å; W159-K229 HydrophobicContact CB-CG 3.64Å; W159-K229 WeakPolarHBondContact CB-O 3.03Å; W159-C231 HydrophobicContact CD2-CB 4.31Å; W159-C231 HydrophobicContact CE3-CB 3.48Å; W159-C231 VanDerWaalsContact CE3-CB 3.48Å; W159-C231 VanDerWaalsContact CE3-SG 3.51Å; W159-C231 HydrophobicContact CH2-CB 4.21Å; W159-C231 HydrophobicContact CZ3-CB 3.45Å; W159-C231 VanDerWaalsContact CZ3-CB 3.45Å
160	R	92.4	Very high	82.8	Confident	160 Å²	160	78.7 Å²	78.7	60%	0.604	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.3	177.2	-64.5	-175.7	-178.2	-176.6	0.1	110.5	K229 T230 C231	R160-K229 PolarHBondContact N-O 3.1Å; R160-T230 CarbonylContact O-C 3.6Å; R160-T230 WeakPolarHBondContact O-CA 3.32Å; R160-C231 PolarHBondContact O-N 2.94Å
161	W	93.7	Very high	84.5	Confident	34 Å²	34	70.8 Å²	70.8	13%	0.129	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.9	166.6	-74.6	103.1	0	0	0	109.1	R140 G142 M143 W159 C231 L233	R140-W161 HydrophobicContact CB-CB 4.05Å; R140-W161 HydrophobicContact CB-CD2 3.86Å; R140-W161 HydrophobicContact CB-CE3 4.36Å; R140-W161 HydrophobicContact CB-CG 3.73Å; R140-W161 WeakPolarHBondContact O-CB 3.3Å; G142-W161 WeakPolarHBondContact CA-O 3.31Å; G142-W161 PolarHBondContact N-O 3.38Å; M143-W161 PolarHBondContact O-N 2.79Å; W159-W161 AromaticContact CH2-CD2 3.53Å; W159-W161 HydrophobicContact CH2-CD2 3.53Å; W159-W161 AromaticContact CH2-CE2 3.2Å; W159-W161 AromaticContact CH2-CE3 3.94Å; W159-W161 HydrophobicContact CH2-CE3 3.94Å; W159-W161 HydrophobicContact CH2-CG 4.11Å; W159-W161 AromaticContact CH2-CH2 3.78Å; W159-W161 HydrophobicContact CH2-CH2 3.78Å; W159-W161 AromaticContact CH2-CZ2 3.37Å; W159-W161 HydrophobicContact CH2-CZ2 3.37Å; W159-W161 HydrophobicContact CH2-CZ3 4.04Å; W159-W161 AromaticContact CH2-NE1 3.55Å; W159-W161 HydrophobicContact CZ2-CZ2 4.23Å; W159-W161 HydrophobicContact CZ3-CB 4.4Å; W159-W161 AromaticContact CZ3-CD1 3.93Å; W159-W161 AromaticContact CZ3-CD2 3.42Å; W159-W161 HydrophobicContact CZ3-CD2 3.42Å; W159-W161 VanDerWaalsContact CZ3-CD2 3.42Å; W159-W161 AromaticContact CZ3-CE2 3.63Å; W159-W161 AromaticContact CZ3-CE3 3.78Å; W159-W161 HydrophobicContact CZ3-CE3 3.78Å; W159-W161 AromaticContact CZ3-CG 3.69Å; W159-W161 HydrophobicContact CZ3-CG 3.69Å; W159-W161 HydrophobicContact CZ3-CH2 4.44Å; W159-W161 HydrophobicContact CZ3-CZ2 4.17Å; W159-W161 HydrophobicContact CZ3-CZ3 4.26Å; W159-W161 AromaticContact CZ3-NE1 3.89Å; W161-C231 WeakPolarHBondContact CA-O 3.19Å; W161-L233 HydrophobicContact CZ3-CB 4.39Å
162	G	92.7	Very high	86.2	Confident	5 Å²	5	66.2 Å²	66.2	5%	0.052	34%	0.342	C	S	.	.			trans	-171.4	-172.9	177.6	0	0	0	0	0	111.1	T230 C231 W232	G162-T230 VanDerWaalsContact CA-CG2 3.41Å; G162-C231 PolarHBondContact N-O 3.01Å; G162-W232 WeakPolarHBondContact O-CB 3.42Å
163	G	92	Very high	87.9	Confident	43 Å²	43	65.1 Å²	65.1	44%	0.443	33%	0.326	S	S	.	.	S	Bend	trans	68.4	-159.3	-172.1	0	0	0	0	0	112.1
164	C	95.4	Very high	89.6	Confident	35 Å²	35	58 Å²	58	24%	0.236	29%	0.288	C	S	.	.			trans	-105.8	101.7	-179	177.2	0	0	0	0	109.5	T127 C136	T127-C164 VanDerWaalsContact CA-SG 3.6Å; T127-C164 HydrophobicContact CG2-CB 4.3Å; T127-C164 WeakPolarHBondContact CG2-SG 3.39Å; T127-C164 PolarHBondContact O-SG 2.77Å; T127-C164 VanDerWaalsContact O-SG 3.38Å; C136-C164 HydrophobicContact CB-CB 3.92Å; C136-C164 WeakPolarHBondContact CB-SG 3.47Å; C136-C164 WeakPolarHBondContact SG-CB 3.49Å; C136-C164 CovalentContact SG-SG 2.01Å; C136-C164 PolarHBondContact SG-SG 3.11Å
165	S	97.1	Very high	91.2	Very high	10 Å²	10	53.9 Å²	53.9	7%	0.07	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-75.3	138.3	172.4	-64.5	0	0	0	0	110.1	D137 N167 W232 L233	D137-S165 PolarHBondContact N-O 2.98Å; D137-S165 WeakPolarHBondContact O-CB 3.32Å; S165-N167 PolarHBondContact O-N 2.69Å; S165-W232 WeakPolarHBondContact OG-CA 3.36Å; S165-W232 WeakPolarHBondContact OG-CB 3.35Å; S165-L233 WeakPolarHBondContact CA-O 3.49Å; S165-L233 PolarHBondContact OG-N 2.79Å; S165-L233 VanDerWaalsContact OG-N 3.07Å
166	D	97.7	Very high	92.9	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.07	25%	0.246	C	C	.	.			trans	-63.5	121.4	178.9	-79.3	-25.2	0	0	0	110.7	V123 T127 I168 M213 L233 Q234 M235	V123-D166 HydrophobicContact CG1-CB 3.65Å; T127-D166 WeakPolarHBondContact CB-OD1 3.02Å; T127-D166 VanDerWaalsContact CG2-OD1 3.25Å; T127-D166 WeakPolarHBondContact CG2-OD1 3.41Å; T127-D166 PolarHBondContact OG1-OD1 2.94Å; D166-I168 PolarHBondContact O-N 3.25Å; D166-M213 HydrophobicContact CB-CE 3.94Å; D166-L233 PolarHBondContact N-O 2.9Å; D166-Q234 VanDerWaalsContact OD2-CA 3.32Å; D166-Q234 WeakPolarHBondContact OD2-CA 3.32Å; D166-M235 HydrophobicContact CB-CG 4.11Å; D166-M235 PolarHBondContact OD2-N 3.11Å
167	N	97.1	Very high	94.4	Very high	31 Å²	31	53.5 Å²	53.5	17%	0.166	24%	0.242	C	C	.	.			trans	-78.4	66.1	179.9	-168.2	-14.2	0	0	0	112.1	S135 D137 S165 R169 Y170 G171	S135-N167 WeakPolarHBondContact O-CB 3.4Å; S135-N167 PolarHBondContact O-ND2 3.36Å; D137-N167 HydrophobicContact CB-CB 4.27Å; S165-N167 PolarHBondContact O-N 2.69Å; N167-R169 PolarHBondContact O-N 2.88Å; N167-Y170 PolarHBondContact O-N 3.19Å; N167-Y170 PolarHBondContact OD1-N 2.95Å; N167-G171 PolarHBondContact O-N 2.91Å
168	I	97.1	Very high	95.4	Very high	22 Å²	22	50 Å²	50	11%	0.113	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-32.7	-179	-172.9	57.2	0	0	0	112.2	V119 V123 D166 Y170 G171 L172 I209 M213 M235	V119-I168 HydrophobicContact CG1-CD1 3.47Å; V119-I168 VanDerWaalsContact CG1-CD1 3.47Å; V123-I168 HydrophobicContact CG2-CD1 4.29Å; D166-I168 PolarHBondContact O-N 3.25Å; I168-Y170 VanDerWaalsContact C-N 3.34Å; I168-Y170 PolarHBondContact O-N 3.37Å; I168-G171 PolarHBondContact O-N 3.42Å; I168-L172 HydrophobicContact CD1-CD2 4.42Å; I168-L172 HydrophobicContact CD1-CG 4.11Å; I168-L172 HydrophobicContact CG1-CD1 3.98Å; I168-L172 HydrophobicContact CG1-CG 4.05Å; I168-L172 WeakPolarHBondContact O-CB 3.12Å; I168-L172 WeakPolarHBondContact O-CG 3.09Å; I168-L172 PolarHBondContact O-N 3.2Å; I168-I209 HydrophobicContact CD1-CB 4.42Å; I168-I209 HydrophobicContact CD1-CG2 3.58Å; I168-M213 HydrophobicContact CB-CE 4.01Å; I168-M213 HydrophobicContact CB-SD 4.04Å; I168-M213 HydrophobicContact CD1-SD 4.3Å; I168-M213 HydrophobicContact CG1-SD 3.96Å; I168-M213 HydrophobicContact CG2-CE 4.16Å; I168-M213 HydrophobicContact CG2-SD 4.38Å; I168-M235 HydrophobicContact CD1-CG 4.43Å; I168-M235 HydrophobicContact CD1-SD 4.09Å
169	R	97.3	Very high	96	Very high	190 Å²	190	44.2 Å²	44.2	72%	0.717	21%	0.206	S	C	*	.	H	α-helix	trans	-59	-45	178.6	-178.5	178.1	176.1	171.1	-1.5	111.6	N167 M173	N167-R169 PolarHBondContact O-N 2.88Å; R169-M173 WeakPolarHBondContact O-CB 3.43Å; R169-M173 PolarHBondContact O-N 3.48Å; R169-M173 VanDerWaalsContact O-N 3.08Å
170	Y	97.3	Very high	96.4	Very high	37 Å²	37	43.5 Å²	43.5	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-49.7	176.7	-179.5	-90.4	0	0	0	111.1	V122 C126 D133 C134 N167 I168 L172 M173 F174	V122-Y170 HydrophobicContact CG1-CD1 3.83Å; V122-Y170 HydrophobicContact CG1-CE1 3.66Å; C126-Y170 VanDerWaalsContact SG-CD1 3.59Å; D133-Y170 WeakPolarHBondContact CB-OH 3.3Å; D133-Y170 WeakPolarHBondContact O-CE2 3.47Å; C134-Y170 HydrophobicContact CB-CD1 3.57Å; C134-Y170 HydrophobicContact CB-CD2 3.83Å; C134-Y170 HydrophobicContact CB-CE1 3.69Å; C134-Y170 HydrophobicContact CB-CE2 3.92Å; C134-Y170 HydrophobicContact CB-CG 3.67Å; C134-Y170 VanDerWaalsContact SG-CE1 3.57Å; N167-Y170 PolarHBondContact O-N 3.19Å; N167-Y170 PolarHBondContact OD1-N 2.95Å; I168-Y170 VanDerWaalsContact C-N 3.34Å; I168-Y170 PolarHBondContact O-N 3.37Å; Y170-L172 VanDerWaalsContact C-N 3.33Å; Y170-L172 PolarHBondContact O-N 3.11Å; Y170-M173 WeakPolarHBondContact O-CB 3.42Å; Y170-M173 PolarHBondContact O-N 3.26Å; Y170-M173 VanDerWaalsContact O-N 3.09Å; Y170-F174 HydrophobicContact CE1-CB 4.32Å; Y170-F174 HydrophobicContact CE1-CD2 4.46Å; Y170-F174 WeakPolarHBondContact O-CB 3.35Å; Y170-F174 PolarHBondContact O-N 3.2Å
171	G	97.6	Very high	96.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-42.5	179.1	0	0	0	0	0	113.5	N167 I168 A175	N167-G171 PolarHBondContact O-N 2.91Å; I168-G171 PolarHBondContact O-N 3.42Å; G171-A175 VanDerWaalsContact O-CB 3.31Å; G171-A175 WeakPolarHBondContact O-CB 3.4Å; G171-A175 PolarHBondContact O-N 2.64Å
172	L	98.3	Very high	96.6	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-40	175.6	-68.5	175.9	0	0	0	112.5	V119 I168 Y170 R176 R206	V119-L172 HydrophobicContact CG1-CD2 4.35Å; V119-L172 HydrophobicContact CG2-CD2 4.35Å; I168-L172 HydrophobicContact CD1-CD2 4.42Å; I168-L172 HydrophobicContact CD1-CG 4.11Å; I168-L172 HydrophobicContact CG1-CD1 3.98Å; I168-L172 HydrophobicContact CG1-CG 4.05Å; I168-L172 WeakPolarHBondContact O-CB 3.12Å; I168-L172 WeakPolarHBondContact O-CG 3.09Å; I168-L172 PolarHBondContact O-N 3.2Å; Y170-L172 VanDerWaalsContact C-N 3.33Å; Y170-L172 PolarHBondContact O-N 3.11Å; L172-R176 VanDerWaalsContact O-CG 3.28Å; L172-R176 WeakPolarHBondContact O-CG 3.41Å; L172-R176 PolarHBondContact O-N 3Å; L172-R176 VanDerWaalsContact O-N 3.13Å; L172-R206 HydrophobicContact CD2-CB 3.6Å; L172-R206 HydrophobicContact CD2-CG 3.8Å
173	M	97.7	Very high	96.7	Very high	107 Å²	107	43 Å²	43	53%	0.527	20%	0.204	S	C	.	.	H	α-helix	trans	-66.5	-49.7	177.4	-174	-167.5	-50.9	0	0	110.9	R169 Y170 A175 R176 E177	R169-M173 WeakPolarHBondContact O-CB 3.43Å; R169-M173 PolarHBondContact O-N 3.48Å; R169-M173 VanDerWaalsContact O-N 3.08Å; Y170-M173 WeakPolarHBondContact O-CB 3.42Å; Y170-M173 PolarHBondContact O-N 3.26Å; Y170-M173 VanDerWaalsContact O-N 3.09Å; M173-A175 PolarHBondContact O-N 3.19Å; M173-R176 PolarHBondContact O-N 2.79Å; M173-E177 PolarHBondContact O-N 2.92Å
174	F	97.7	Very high	96.9	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-49.8	177.8	-175.2	-83.5	0	0	0	111	M49 H53 T56 V60 L118 V122 Y170 R176 E177 F178	M49-F174 HydrophobicContact CE-CD2 3.79Å; M49-F174 HydrophobicContact CE-CE2 3.68Å; M49-F174 HydrophobicContact CE-CG 4.36Å; M49-F174 HydrophobicContact CE-CZ 4.15Å; H53-F174 HydrophobicContact CB-CE2 4.03Å; T56-F174 HydrophobicContact CG2-CD1 4.49Å; T56-F174 HydrophobicContact CG2-CD2 3.93Å; T56-F174 HydrophobicContact CG2-CE1 4.11Å; T56-F174 HydrophobicContact CG2-CE2 3.47Å; T56-F174 VanDerWaalsContact CG2-CE2 3.47Å; T56-F174 HydrophobicContact CG2-CG 4.43Å; T56-F174 HydrophobicContact CG2-CZ 3.57Å; V60-F174 HydrophobicContact CG2-CE1 3.74Å; V60-F174 HydrophobicContact CG2-CZ 3.93Å; L118-F174 HydrophobicContact CD1-CD1 4.32Å; L118-F174 HydrophobicContact CD1-CE1 4.09Å; V122-F174 HydrophobicContact CG1-CB 4.5Å; V122-F174 HydrophobicContact CG1-CG 4.48Å; V122-F174 HydrophobicContact CG2-CD1 4.01Å; V122-F174 HydrophobicContact CG2-CE1 4.23Å; Y170-F174 HydrophobicContact CE1-CB 4.32Å; Y170-F174 HydrophobicContact CE1-CD2 4.46Å; Y170-F174 WeakPolarHBondContact O-CB 3.35Å; Y170-F174 PolarHBondContact O-N 3.2Å; F174-R176 VanDerWaalsContact C-N 3.35Å; F174-R176 PolarHBondContact O-N 3.09Å; F174-E177 PolarHBondContact O-N 3.43Å; F174-F178 HydrophobicContact CD1-CB 4.38Å; F174-F178 HydrophobicContact CE1-CB 4.12Å; F174-F178 HydrophobicContact CE1-CD2 4.27Å; F174-F178 HydrophobicContact CE1-CG 4.21Å; F174-F178 HydrophobicContact CZ-CD2 4.34Å; F174-F178 VanDerWaalsContact O-CB 3.26Å; F174-F178 WeakPolarHBondContact O-CB 3.37Å; F174-F178 PolarHBondContact O-N 2.94Å
175	A	97.9	Very high	96.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-38.6	179.9	0	0	0	0	0	112.9	L118 V119 G171 M173 L179	L118-A175 HydrophobicContact CD2-CB 3.89Å; L118-A175 HydrophobicContact CG-CB 4.27Å; V119-A175 HydrophobicContact CG2-CB 3.54Å; G171-A175 VanDerWaalsContact O-CB 3.31Å; G171-A175 WeakPolarHBondContact O-CB 3.4Å; G171-A175 PolarHBondContact O-N 2.64Å; M173-A175 PolarHBondContact O-N 3.19Å; A175-L179 VanDerWaalsContact O-CB 3.28Å; A175-L179 WeakPolarHBondContact O-CB 3.05Å; A175-L179 WeakPolarHBondContact O-CG 3.36Å; A175-L179 PolarHBondContact O-N 3.44Å
176	R	97.9	Very high	96.8	Very high	94 Å²	94	50.2 Å²	50.2	36%	0.355	21%	0.213	S	C	.	.	I	π-helix	trans	-63.1	-46.5	175	-78	174.4	-175.5	134.4	0.7	111.8	L172 M173 F174 D180 E203	L172-R176 VanDerWaalsContact O-CG 3.28Å; L172-R176 WeakPolarHBondContact O-CG 3.41Å; L172-R176 PolarHBondContact O-N 3Å; L172-R176 VanDerWaalsContact O-N 3.13Å; M173-R176 PolarHBondContact O-N 2.79Å; F174-R176 VanDerWaalsContact C-N 3.35Å; F174-R176 PolarHBondContact O-N 3.09Å; R176-D180 WeakPolarHBondContact O-CA 3.43Å; R176-D180 VanDerWaalsContact O-CB 3.22Å; R176-D180 WeakPolarHBondContact O-CB 3.48Å; R176-D180 PolarHBondContact O-N 3.23Å; R176-E203 IonicContact NE-OE2 3.46Å; R176-E203 IonicContact NH2-OE1 2.9Å; R176-E203 IonicContact NH2-OE2 2.66Å
177	E	96.7	Very high	96.6	Very high	64 Å²	64	50.7 Å²	50.7	30%	0.299	21%	0.214	S	C	.	.	I	π-helix	trans	-69.6	-37.3	-178.3	-174.7	62.3	-163.9	0	0	112.1	Q45 M49 M173 F174 R181	Q45-E177 PolarHBondContact NE2-O 2.94Å; Q45-E177 VanDerWaalsContact NE2-O 3.1Å; Q45-E177 PolarHBondContact NE2-OE1 3.43Å; M49-E177 HydrophobicContact CE-CB 3.99Å; M49-E177 HydrophobicContact CE-CG 3.87Å; M49-E177 HydrophobicContact CG-CG 4.28Å; M49-E177 HydrophobicContact SD-CB 4.17Å; M49-E177 HydrophobicContact SD-CG 3.37Å; M49-E177 WeakPolarHBondContact SD-CG 3.25Å; M173-E177 PolarHBondContact O-N 2.92Å; F174-E177 PolarHBondContact O-N 3.43Å; E177-R181 WeakPolarHBondContact OE1-CD 3.32Å; E177-R181 IonicContact OE1-CZ 3.95Å; E177-R181 IonicContact OE1-NE 3.82Å; E177-R181 IonicContact OE1-NH1 2.93Å; E177-R181 PolarHBondContact OE1-NH1 3.01Å; E177-R181 WeakPolarHBondContact OE2-CD 3.35Å
178	F	96.7	Very high	96.4	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.039	23%	0.234	C	C	.	.	I	π-helix	trans	-72.5	-42	-179.8	-169.8	-97.1	0	0	0	113	L42 Q46 M49 M57 V60 L118 F174	L42-F178 HydrophobicContact CD2-CZ 4.25Å; Q46-F178 HydrophobicContact CB-CD2 4.43Å; Q46-F178 HydrophobicContact CB-CE2 3.82Å; Q46-F178 HydrophobicContact CB-CZ 4Å; Q46-F178 HydrophobicContact CG-CD1 4.36Å; Q46-F178 HydrophobicContact CG-CD2 4.17Å; Q46-F178 HydrophobicContact CG-CE1 4.03Å; Q46-F178 HydrophobicContact CG-CE2 3.83Å; Q46-F178 HydrophobicContact CG-CG 4.41Å; Q46-F178 HydrophobicContact CG-CZ 3.75Å; Q46-F178 WeakPolarHBondContact CG-O 3.26Å; M49-F178 HydrophobicContact CB-CD2 3.82Å; M49-F178 HydrophobicContact CB-CE2 4.36Å; M49-F178 HydrophobicContact CE-CB 4.41Å; M49-F178 HydrophobicContact CG-CD2 4.25Å; M57-F178 HydrophobicContact CE-CE2 4.35Å; M57-F178 HydrophobicContact CE-CZ 4.48Å; M57-F178 HydrophobicContact SD-CE2 3.89Å; M57-F178 HydrophobicContact SD-CZ 4.5Å; V60-F178 HydrophobicContact CG1-CE1 3.93Å; V60-F178 HydrophobicContact CG1-CZ 3.85Å; L118-F178 HydrophobicContact CD2-CD1 3.97Å; F174-F178 HydrophobicContact CD1-CB 4.38Å; F174-F178 HydrophobicContact CE1-CB 4.12Å; F174-F178 HydrophobicContact CE1-CD2 4.27Å; F174-F178 HydrophobicContact CE1-CG 4.21Å; F174-F178 HydrophobicContact CZ-CD2 4.34Å; F174-F178 VanDerWaalsContact O-CB 3.26Å; F174-F178 WeakPolarHBondContact O-CB 3.37Å; F174-F178 PolarHBondContact O-N 2.94Å
179	L	96.2	Very high	96.2	Very high	31 Å²	31	61.4 Å²	61.4	16%	0.162	26%	0.262	C	S	.	.	I	π-helix	trans	-98.5	-46.4	-173.9	-60.1	175.3	0	0	0	113.2	T115 L118 A175 M183	T115-L179 HydrophobicContact CG2-CD1 3.85Å; T115-L179 WeakPolarHBondContact OG1-CD1 3.37Å; L118-L179 HydrophobicContact CD2-CD1 3.82Å; L118-L179 HydrophobicContact CD2-CD2 4.32Å; L118-L179 HydrophobicContact CD2-CG 3.91Å; A175-L179 VanDerWaalsContact O-CB 3.28Å; A175-L179 WeakPolarHBondContact O-CB 3.05Å; A175-L179 WeakPolarHBondContact O-CG 3.36Å; A175-L179 PolarHBondContact O-N 3.44Å; L179-M183 WeakPolarHBondContact O-CG 3.22Å
180	D	97.4	Very high	96	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.011	25%	0.254	C	S	.	.	I	π-helix	trans	-85.5	-29.2	-165.5	-65.8	8.2	0	0	0	113.2	R176 H182 M183 R184 L199 H202 R206	R176-D180 WeakPolarHBondContact O-CA 3.43Å; R176-D180 VanDerWaalsContact O-CB 3.22Å; R176-D180 WeakPolarHBondContact O-CB 3.48Å; R176-D180 PolarHBondContact O-N 3.23Å; D180-H182 VanDerWaalsContact C-N 3.35Å; D180-H182 PolarHBondContact O-N 2.94Å; D180-M183 PolarHBondContact O-N 2.7Å; D180-R184 WeakPolarHBondContact O-CB 3.42Å; D180-R184 WeakPolarHBondContact O-CG 3.48Å; D180-R184 PolarHBondContact O-N 3.04Å; D180-R184 IonicContact OD2-NH2 2.84Å; D180-L199 HydrophobicContact CB-CD2 3.46Å; D180-L199 VanDerWaalsContact CB-CD2 3.46Å; D180-L199 VanDerWaalsContact CG-CD2 3.47Å; D180-H202 IonicContact OD1-CG 2.72Å; D180-H202 IonicContact OD1-ND1 3.6Å; D180-H202 PolarHBondContact OD1-ND1 3.37Å; D180-R206 VanDerWaalsContact CG-NH1 3.32Å; D180-R206 IonicContact OD1-CZ 2.77Å; D180-R206 IonicContact OD1-NH1 3.96Å; D180-R206 PolarHBondContact OD1-NH1 2.73Å; D180-R206 IonicContact OD1-NH2 3.87Å; D180-R206 IonicContact OD2-CZ 3.47Å; D180-R206 IonicContact OD2-NH1 2.68Å; D180-R206 PolarHBondContact OD2-NH1 2.67Å; D180-R206 IonicContact OD2-NH2 3.31Å; D180-R206 PolarHBondContact OD2-NH2 3.29Å
181	R	96.5	Very high	95.7	Very high	92 Å²	92	62.6 Å²	62.6	35%	0.347	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-39.9	-171.3	-176.5	165.5	-177.5	-158.9	8.8	112.4	Q45 E177 R185	Q45-R181 HydrophobicContact CG-CB 3.99Å; Q45-R181 HydrophobicContact CG-CG 4.28Å; E177-R181 WeakPolarHBondContact OE1-CD 3.32Å; E177-R181 IonicContact OE1-CZ 3.95Å; E177-R181 IonicContact OE1-NE 3.82Å; E177-R181 IonicContact OE1-NH1 2.93Å; E177-R181 PolarHBondContact OE1-NH1 3.01Å; E177-R181 WeakPolarHBondContact OE2-CD 3.35Å; R181-R185 WeakPolarHBondContact O-CG 3.4Å; R181-R185 PolarHBondContact O-N 2.88Å
182	H	94.7	Very high	95.4	Very high	62 Å²	62	64.7 Å²	64.7	29%	0.287	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-49.2	172.3	176.4	58.4	0	0	0	111.1	N43 Q45 D180 R184 R185 S186	N43-H182 PolarHBondContact ND2-CD2 3.42Å; Q45-H182 HydrophobicContact CB-CB 4.29Å; D180-H182 VanDerWaalsContact C-N 3.35Å; D180-H182 PolarHBondContact O-N 2.94Å; H182-R184 VanDerWaalsContact C-N 3.32Å; H182-R184 PolarHBondContact O-N 3.3Å; H182-R185 WeakPolarHBondContact O-CB 3.27Å; H182-R185 PolarHBondContact O-N 3.45Å; H182-R185 VanDerWaalsContact O-N 3.1Å; H182-S186 PolarHBondContact CE1-OG 2.88Å; H182-S186 PolarHBondContact O-N 2.81Å; H182-S186 PolarHBondContact O-OG 3.24Å; H182-S186 VanDerWaalsContact O-OG 3.11Å
183	M	94.7	Very high	95.1	Very high	35 Å²	35	64 Å²	64	17%	0.172	28%	0.282	C	S	.	.	H	α-helix	trans	-57	-41.6	179.9	-64.9	-67.4	113.3	0	0	113	L179 D180 S186 W187 F195 T198 L199	L179-M183 WeakPolarHBondContact O-CG 3.22Å; D180-M183 PolarHBondContact O-N 2.7Å; M183-S186 PolarHBondContact O-N 2.8Å; M183-W187 WeakPolarHBondContact O-CB 3.35Å; M183-W187 PolarHBondContact O-N 3.4Å; M183-F195 HydrophobicContact CE-CD1 4.42Å; M183-F195 HydrophobicContact CE-CE1 4.46Å; M183-F195 HydrophobicContact SD-CD1 3.71Å; M183-F195 HydrophobicContact SD-CE1 4.29Å; M183-T198 HydrophobicContact CG-CG2 4.06Å; M183-T198 HydrophobicContact SD-CG2 3.78Å; M183-L199 HydrophobicContact CB-CD1 4.32Å; M183-L199 HydrophobicContact CB-CD2 3.78Å; M183-L199 HydrophobicContact CB-CG 3.86Å
184	R	95.8	Very high	94.9	Very high	136 Å²	136	65 Å²	65	51%	0.513	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-42.9	176.8	-72.8	177.9	-171.8	-167.9	3.5	112	D180 H182 W187 Q188 L199	D180-R184 WeakPolarHBondContact O-CB 3.42Å; D180-R184 WeakPolarHBondContact O-CG 3.48Å; D180-R184 PolarHBondContact O-N 3.04Å; D180-R184 IonicContact OD2-NH2 2.84Å; H182-R184 VanDerWaalsContact C-N 3.32Å; H182-R184 PolarHBondContact O-N 3.3Å; R184-W187 PolarHBondContact O-N 3.09Å; R184-Q188 VanDerWaalsContact O-CG 3.31Å; R184-Q188 WeakPolarHBondContact O-CG 3.38Å; R184-Q188 PolarHBondContact O-N 2.03Å; R184-L199 HydrophobicContact CG-CD1 3.83Å; R184-L199 HydrophobicContact CG-CD2 3.99Å
185	R	95.8	Very high	94.7	Very high	96 Å²	96	66 Å²	66	36%	0.362	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-46.2	175.6	-72.7	174.9	175.5	176.3	-2.1	110.9	R181 H182 W187 Q188 Q189	R181-R185 WeakPolarHBondContact O-CG 3.4Å; R181-R185 PolarHBondContact O-N 2.88Å; H182-R185 WeakPolarHBondContact O-CB 3.27Å; H182-R185 PolarHBondContact O-N 3.45Å; H182-R185 VanDerWaalsContact O-N 3.1Å; R185-W187 VanDerWaalsContact C-N 3.32Å; R185-W187 PolarHBondContact O-N 3.19Å; R185-Q188 WeakPolarHBondContact O-CB 3.43Å; R185-Q188 PolarHBondContact O-N 3.37Å; R185-Q188 VanDerWaalsContact O-N 3.11Å; R185-Q189 WeakPolarHBondContact O-CG 3.49Å; R185-Q189 PolarHBondContact O-N 2.96Å
186	S	94.3	Very high	94.6	Very high	7 Å²	7	67.1 Å²	67.1	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-36.1	178	-55	0	0	0	0	112.7	H182 M183 Q189 N190 F195	H182-S186 PolarHBondContact CE1-OG 2.88Å; H182-S186 PolarHBondContact O-N 2.81Å; H182-S186 PolarHBondContact O-OG 3.24Å; H182-S186 VanDerWaalsContact O-OG 3.11Å; M183-S186 PolarHBondContact O-N 2.8Å; S186-Q189 PolarHBondContact O-N 2.88Å; S186-N190 WeakPolarHBondContact O-CB 3.28Å; S186-N190 PolarHBondContact O-N 3.19Å; S186-N190 PolarHBondContact O-ND2 3.04Å; S186-F195 VanDerWaalsContact CB-CE1 3.41Å; S186-F195 VanDerWaalsContact CB-CZ 3.44Å
187	W	93.4	Very high	94.6	Very high	24 Å²	24	62.8 Å²	62.8	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-44.9	170.7	167	-113.3	0	0	0	112.3	M183 R184 R185 Q189 R191 D192 F195 L196 P260	M183-W187 WeakPolarHBondContact O-CB 3.35Å; M183-W187 PolarHBondContact O-N 3.4Å; R184-W187 PolarHBondContact O-N 3.09Å; R185-W187 VanDerWaalsContact C-N 3.32Å; R185-W187 PolarHBondContact O-N 3.19Å; W187-Q189 VanDerWaalsContact C-N 3.27Å; W187-Q189 PolarHBondContact O-N 3.14Å; W187-R191 HydrophobicContact CH2-CB 4.48Å; W187-R191 HydrophobicContact CZ3-CB 4.37Å; W187-R191 WeakPolarHBondContact CZ3-O 3.37Å; W187-R191 WeakPolarHBondContact O-CA 3.48Å; W187-R191 PolarHBondContact O-N 3.01Å; W187-D192 WeakPolarHBondContact CZ3-O 3.41Å; W187-F195 HydrophobicContact CB-CB 3.85Å; W187-L196 HydrophobicContact CD2-CD1 4.09Å; W187-L196 HydrophobicContact CD2-CD2 3.95Å; W187-L196 HydrophobicContact CD2-CG 3.7Å; W187-L196 HydrophobicContact CE3-CD1 4.07Å; W187-L196 HydrophobicContact CE3-CD2 4.49Å; W187-L196 HydrophobicContact CE3-CG 3.75Å; W187-L196 HydrophobicContact CG-CD2 4.06Å; W187-L196 HydrophobicContact CG-CG 4.26Å; W187-L196 HydrophobicContact CH2-CD1 3.57Å; W187-L196 HydrophobicContact CH2-CG 4.2Å; W187-L196 HydrophobicContact CZ2-CD1 3.57Å; W187-L196 HydrophobicContact CZ2-CG 4.15Å; W187-L196 HydrophobicContact CZ3-CD1 3.8Å; W187-L196 HydrophobicContact CZ3-CG 3.97Å; W187-P260 HydrophobicContact CH2-CG 4.03Å; W187-P260 HydrophobicContact CZ3-CG 4.23Å
188	Q	93.4	Very high	94.5	Very high	128 Å²	128	60.7 Å²	60.7	60%	0.598	27%	0.266	S	S	*	.	H	α-helix	trans	-61.5	-37.5	179.6	-74.2	170.1	-16.3	0	0	111.9	R184 R185	R184-Q188 VanDerWaalsContact O-CG 3.31Å; R184-Q188 WeakPolarHBondContact O-CG 3.38Å; R184-Q188 PolarHBondContact O-N 2.03Å; R185-Q188 WeakPolarHBondContact O-CB 3.43Å; R185-Q188 PolarHBondContact O-N 3.37Å; R185-Q188 VanDerWaalsContact O-N 3.11Å
189	Q	93.4	Very high	94.6	Very high	149 Å²	149	61.4 Å²	61.4	70%	0.696	27%	0.27	S	S	*	.	H	α-helix	trans	-78.2	-52.2	-180	-69.4	171.4	-15.2	0	0	112.7	R185 S186 W187	R185-Q189 WeakPolarHBondContact O-CG 3.49Å; R185-Q189 PolarHBondContact O-N 2.96Å; S186-Q189 PolarHBondContact O-N 2.88Å; W187-Q189 VanDerWaalsContact C-N 3.27Å; W187-Q189 PolarHBondContact O-N 3.14Å
190	N	91.8	Very high	94.6	Very high	103 Å²	103	61.3 Å²	61.3	55%	0.551	27%	0.269	S	S	*	.	H	α-helix	trans	-99	-17.1	-166.6	-60.4	-38.6	0	0	0	114.1	S186 D192 F195	S186-N190 WeakPolarHBondContact O-CB 3.28Å; S186-N190 PolarHBondContact O-N 3.19Å; S186-N190 PolarHBondContact O-ND2 3.04Å; N190-D192 HydrophobicContact CB-CB 4.38Å; N190-D192 PolarHBondContact O-N 3.45Å; N190-F195 HydrophobicContact CB-CE2 4.1Å
191	R	91.2	Very high	94.7	Very high	149 Å²	149	61.3 Å²	61.3	56%	0.562	27%	0.269	S	S	*	.			trans	51.8	27.9	-173.1	-57.8	-63.6	-175.1	178.1	1	114.1	W187	W187-R191 HydrophobicContact CH2-CB 4.48Å; W187-R191 HydrophobicContact CZ3-CB 4.37Å; W187-R191 WeakPolarHBondContact CZ3-O 3.37Å; W187-R191 WeakPolarHBondContact O-CA 3.48Å; W187-R191 PolarHBondContact O-N 3.01Å
192	D	91.8	Very high	94.8	Very high	45 Å²	45	57.3 Å²	57.3	24%	0.241	25%	0.254	C	S	.	.			trans	-82.1	127.2	178.3	-167.1	-43.4	0	0	0	111.3	W187 N190 R194 F195	W187-D192 WeakPolarHBondContact CZ3-O 3.41Å; N190-D192 HydrophobicContact CB-CB 4.38Å; N190-D192 PolarHBondContact O-N 3.45Å; D192-R194 HydrophobicContact CB-CG 4.21Å; D192-R194 PolarHBondContact O-N 3.26Å; D192-R194 VanDerWaalsContact O-N 3.09Å; D192-R194 WeakPolarHBondContact OD1-CB 3.39Å; D192-R194 WeakPolarHBondContact OD1-CG 3.13Å; D192-R194 PolarHBondContact OD1-N 3.49Å; D192-R194 IonicContact OD1-NE 3.21Å; D192-R194 PolarHBondContact OD1-NE 3.23Å; D192-R194 IonicContact OD2-CZ 3.71Å; D192-R194 IonicContact OD2-NE 2.71Å; D192-R194 PolarHBondContact OD2-NE 2.83Å; D192-R194 IonicContact OD2-NH2 3.6Å; D192-R194 PolarHBondContact OD2-NH2 3.38Å; D192-F195 HydrophobicContact CB-CD2 3.8Å; D192-F195 HydrophobicContact CB-CE2 3.76Å; D192-F195 PolarHBondContact O-N 3.49Å
193	A	92.3	Very high	94.9	Very high	3 Å²	3	56 Å²	56	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-54.1	-29.7	179.9	0	0	0	0	0	113.8	F195 L196 V197 K258 P260	A193-F195 PolarHBondContact O-N 3.33Å; A193-L196 PolarHBondContact O-N 3.03Å; A193-L196 VanDerWaalsContact O-N 3.12Å; A193-V197 WeakPolarHBondContact O-CG2 3.44Å; A193-V197 PolarHBondContact O-N 3.01Å; A193-K258 VanDerWaalsContact CB-O 3.27Å; A193-K258 WeakPolarHBondContact CB-O 3.41Å; A193-P260 HydrophobicContact CB-CG 3.77Å
194	R	93.2	Very high	95.1	Very high	128 Å²	128	54.3 Å²	54.3	48%	0.483	24%	0.24	S	C	.	.	H	α-helix	trans	-53.8	-40.2	-178.7	77.4	-178.2	77.5	178.2	9.7	111.9	D192 L196 V197 T198	D192-R194 HydrophobicContact CB-CG 4.21Å; D192-R194 PolarHBondContact O-N 3.26Å; D192-R194 VanDerWaalsContact O-N 3.09Å; D192-R194 WeakPolarHBondContact OD1-CB 3.39Å; D192-R194 WeakPolarHBondContact OD1-CG 3.13Å; D192-R194 PolarHBondContact OD1-N 3.49Å; D192-R194 IonicContact OD1-NE 3.21Å; D192-R194 PolarHBondContact OD1-NE 3.23Å; D192-R194 IonicContact OD2-CZ 3.71Å; D192-R194 IonicContact OD2-NE 2.71Å; D192-R194 PolarHBondContact OD2-NE 2.83Å; D192-R194 IonicContact OD2-NH2 3.6Å; D192-R194 PolarHBondContact OD2-NH2 3.38Å; R194-L196 PolarHBondContact O-N 3.42Å; R194-V197 WeakPolarHBondContact O-CB 3.34Å; R194-V197 PolarHBondContact O-N 3.29Å; R194-T198 PolarHBondContact O-N 3.28Å; R194-T198 PolarHBondContact O-OG1 2.92Å
195	F	94.6	Very high	95.3	Very high	28 Å²	28	47.9 Å²	47.9	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-38.1	-178.1	-61	-60.8	0	0	0	112.1	M183 S186 W187 N190 D192 A193 L199	M183-F195 HydrophobicContact CE-CD1 4.42Å; M183-F195 HydrophobicContact CE-CE1 4.46Å; M183-F195 HydrophobicContact SD-CD1 3.71Å; M183-F195 HydrophobicContact SD-CE1 4.29Å; S186-F195 VanDerWaalsContact CB-CE1 3.41Å; S186-F195 VanDerWaalsContact CB-CZ 3.44Å; W187-F195 HydrophobicContact CB-CB 3.85Å; N190-F195 HydrophobicContact CB-CE2 4.1Å; D192-F195 HydrophobicContact CB-CD2 3.8Å; D192-F195 HydrophobicContact CB-CE2 3.76Å; D192-F195 PolarHBondContact O-N 3.49Å; A193-F195 PolarHBondContact O-N 3.33Å; F195-L199 WeakPolarHBondContact O-CB 3.22Å; F195-L199 WeakPolarHBondContact O-CD1 3.37Å; F195-L199 WeakPolarHBondContact O-CG 3.22Å; F195-L199 PolarHBondContact O-N 3.02Å
196	L	95.6	Very high	95.4	Very high	24 Å²	24	43.4 Å²	43.4	13%	0.126	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-37.3	174.6	-71.9	-177	0	0	0	112	W187 A193 R194 L199 H200 P260 L264	W187-L196 HydrophobicContact CD2-CD1 4.09Å; W187-L196 HydrophobicContact CD2-CD2 3.95Å; W187-L196 HydrophobicContact CD2-CG 3.7Å; W187-L196 HydrophobicContact CE3-CD1 4.07Å; W187-L196 HydrophobicContact CE3-CD2 4.49Å; W187-L196 HydrophobicContact CE3-CG 3.75Å; W187-L196 HydrophobicContact CG-CD2 4.06Å; W187-L196 HydrophobicContact CG-CG 4.26Å; W187-L196 HydrophobicContact CH2-CD1 3.57Å; W187-L196 HydrophobicContact CH2-CG 4.2Å; W187-L196 HydrophobicContact CZ2-CD1 3.57Å; W187-L196 HydrophobicContact CZ2-CG 4.15Å; W187-L196 HydrophobicContact CZ3-CD1 3.8Å; W187-L196 HydrophobicContact CZ3-CG 3.97Å; A193-L196 PolarHBondContact O-N 3.03Å; A193-L196 VanDerWaalsContact O-N 3.12Å; R194-L196 PolarHBondContact O-N 3.42Å; L196-L199 HydrophobicContact CD2-CD1 4.43Å; L196-H200 WeakPolarHBondContact O-CB 3.23Å; L196-H200 PolarHBondContact O-N 3.36Å; L196-P260 HydrophobicContact CD1-CB 4.13Å; L196-P260 HydrophobicContact CD1-CG 3.83Å; L196-L264 HydrophobicContact CB-CD1 4.28Å; L196-L264 HydrophobicContact CB-CD2 3.68Å; L196-L264 HydrophobicContact CB-CG 3.88Å; L196-L264 HydrophobicContact CD1-CD2 4.25Å; L196-L264 HydrophobicContact CD1-CG 4.48Å
197	V	96.6	Very high	95.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.024	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-50.8	175	168.1	0	0	0	0	110.4	A193 R194 H200 N201 V256 L264 V282 H284	A193-V197 WeakPolarHBondContact O-CG2 3.44Å; A193-V197 PolarHBondContact O-N 3.01Å; R194-V197 WeakPolarHBondContact O-CB 3.34Å; R194-V197 PolarHBondContact O-N 3.29Å; V197-H200 PolarHBondContact O-N 3.45Å; V197-N201 PolarHBondContact O-N 2.75Å; V197-N201 VanDerWaalsContact O-N 3.08Å; V197-N201 PolarHBondContact O-ND2 3.26Å; V197-V256 HydrophobicContact CG2-CG2 3.65Å; V197-L264 HydrophobicContact CG2-CD1 4.33Å; V197-L264 HydrophobicContact CG2-CD2 4.14Å; V197-V282 HydrophobicContact CB-CG2 4.47Å; V197-V282 HydrophobicContact CG1-CG2 4.16Å; V197-V282 WeakPolarHBondContact CG1-O 3.44Å; V197-V282 HydrophobicContact CG2-CG2 4.47Å; V197-H284 HydrophobicContact CG2-CB 4.37Å
198	T	96.1	Very high	95.8	Very high	20 Å²	20	44.8 Å²	44.8	12%	0.123	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-48.8	176.1	-67.8	0	0	0	0	111.7	E111 M183 R194 H200 N201 H202	E111-T198 VanDerWaalsContact OE1-CG2 3.22Å; E111-T198 WeakPolarHBondContact OE1-CG2 3.21Å; E111-T198 PolarHBondContact OE1-OG1 3.43Å; M183-T198 HydrophobicContact CG-CG2 4.06Å; M183-T198 HydrophobicContact SD-CG2 3.78Å; R194-T198 PolarHBondContact O-N 3.28Å; R194-T198 PolarHBondContact O-OG1 2.92Å; T198-H200 VanDerWaalsContact C-N 3.29Å; T198-H200 PolarHBondContact O-N 3.3Å; T198-N201 PolarHBondContact O-N 2.98Å; T198-H202 WeakPolarHBondContact CG2-CE1 3.29Å; T198-H202 WeakPolarHBondContact CG2-NE2 3.44Å; T198-H202 PolarHBondContact O-CD2 3.26Å; T198-H202 VanDerWaalsContact O-CG 3.32Å; T198-H202 PolarHBondContact O-N 2.99Å
199	L	97	Very high	96	Very high	24 Å²	24	38.7 Å²	38.7	13%	0.126	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-39.2	177.8	-76.6	169.2	0	0	0	113.3	D180 M183 R184 F195 L196 E203	D180-L199 HydrophobicContact CB-CD2 3.46Å; D180-L199 VanDerWaalsContact CB-CD2 3.46Å; D180-L199 VanDerWaalsContact CG-CD2 3.47Å; M183-L199 HydrophobicContact CB-CD1 4.32Å; M183-L199 HydrophobicContact CB-CD2 3.78Å; M183-L199 HydrophobicContact CB-CG 3.86Å; R184-L199 HydrophobicContact CG-CD1 3.83Å; R184-L199 HydrophobicContact CG-CD2 3.99Å; F195-L199 WeakPolarHBondContact O-CB 3.22Å; F195-L199 WeakPolarHBondContact O-CD1 3.37Å; F195-L199 WeakPolarHBondContact O-CG 3.22Å; F195-L199 PolarHBondContact O-N 3.02Å; L196-L199 HydrophobicContact CD2-CD1 4.43Å; L199-E203 PolarHBondContact O-N 2.89Å; L199-E203 VanDerWaalsContact O-N 3.13Å
200	H	97.9	Very high	96.2	Very high	29 Å²	29	33.4 Å²	33.4	13%	0.134	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-49.1	176.4	-179.7	90.8	0	0	0	111	L196 V197 T198 H202 E203 V204 L264 I276 R277 E280 V282	L196-H200 WeakPolarHBondContact O-CB 3.23Å; L196-H200 PolarHBondContact O-N 3.36Å; V197-H200 PolarHBondContact O-N 3.45Å; T198-H200 VanDerWaalsContact C-N 3.29Å; T198-H200 PolarHBondContact O-N 3.3Å; H200-H202 VanDerWaalsContact C-N 3.32Å; H200-H202 PolarHBondContact O-N 2.82Å; H200-E203 WeakPolarHBondContact O-CA 3.49Å; H200-E203 WeakPolarHBondContact O-CB 3.42Å; H200-E203 PolarHBondContact O-N 2.86Å; H200-V204 WeakPolarHBondContact NE2-CG2 3.41Å; H200-V204 WeakPolarHBondContact O-CG2 3.38Å; H200-V204 PolarHBondContact O-N 2.93Å; H200-L264 HydrophobicContact CB-CD1 4.01Å; H200-I276 WeakPolarHBondContact CE1-CG2 3.31Å; H200-R277 PolarHBondContact CE1-O 3.11Å; H200-E280 PolarHBondContact NE2-O 3.5Å; H200-V282 HydrophobicContact CB-CG2 3.75Å; H200-V282 WeakPolarHBondContact CD2-CG2 3.28Å
201	N	98.4	Very high	96.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-33.3	-178.4	-65.1	-34.5	0	0	0	112.3	A108 E111 A112 V197 T198 E203 V204 G205 V282	A108-N201 WeakPolarHBondContact CA-ND2 3.34Å; A108-N201 VanDerWaalsContact CB-ND2 3.34Å; A108-N201 WeakPolarHBondContact CB-ND2 3.31Å; E111-N201 HydrophobicContact CB-CB 3.77Å; A112-N201 WeakPolarHBondContact CA-O 3.42Å; V197-N201 PolarHBondContact O-N 2.75Å; V197-N201 VanDerWaalsContact O-N 3.08Å; V197-N201 PolarHBondContact O-ND2 3.26Å; T198-N201 PolarHBondContact O-N 2.98Å; N201-E203 VanDerWaalsContact C-N 3.33Å; N201-V204 PolarHBondContact O-N 3.49Å; N201-G205 PolarHBondContact O-N 3.23Å; N201-V282 PolarHBondContact ND2-O 2.83Å; N201-V282 PolarHBondContact OD1-N 2.89Å; N201-V282 PolarHBondContact OD1-O 2.92Å
202	H	98.4	Very high	96.7	Very high	8 Å²	8	28 Å²	28	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-44.7	167.8	-67.4	175.6	0	0	0	111.8	E111 T115 D180 T198 H200 V204 G205 R206	E111-H202 IonicContact OE2-CD2 3.32Å; E111-H202 IonicContact OE2-NE2 2.9Å; E111-H202 PolarHBondContact OE2-NE2 3.4Å; T115-H202 HydrophobicContact CG2-CB 4.3Å; T115-H202 VanDerWaalsContact CG2-O 3.32Å; T115-H202 WeakPolarHBondContact CG2-O 3.46Å; T115-H202 WeakPolarHBondContact OG1-CA 3.15Å; T115-H202 PolarHBondContact OG1-CD2 3.13Å; D180-H202 IonicContact OD1-CG 2.72Å; D180-H202 IonicContact OD1-ND1 3.6Å; D180-H202 PolarHBondContact OD1-ND1 3.37Å; T198-H202 WeakPolarHBondContact CG2-CE1 3.29Å; T198-H202 WeakPolarHBondContact CG2-NE2 3.44Å; T198-H202 PolarHBondContact O-CD2 3.26Å; T198-H202 VanDerWaalsContact O-CG 3.32Å; T198-H202 PolarHBondContact O-N 2.99Å; H200-H202 VanDerWaalsContact C-N 3.32Å; H200-H202 PolarHBondContact O-N 2.82Å; H202-V204 VanDerWaalsContact C-N 3.34Å; H202-V204 PolarHBondContact O-N 3.12Å; H202-G205 PolarHBondContact O-N 3.31Å; H202-R206 PolarHBondContact O-N 2.89Å
203	E	98.4	Very high	97	Very high	35 Å²	35	27.4 Å²	27.4	16%	0.164	13%	0.13	C	C	.	.	H	α-helix	trans	-65.5	-38.2	178.1	-173.2	61.8	-168.5	0	0	111.9	R176 L199 H200 N201 G205 R206 K207	R176-E203 IonicContact NE-OE2 3.46Å; R176-E203 IonicContact NH2-OE1 2.9Å; R176-E203 IonicContact NH2-OE2 2.66Å; L199-E203 PolarHBondContact O-N 2.89Å; L199-E203 VanDerWaalsContact O-N 3.13Å; H200-E203 WeakPolarHBondContact O-CA 3.49Å; H200-E203 WeakPolarHBondContact O-CB 3.42Å; H200-E203 PolarHBondContact O-N 2.86Å; N201-E203 VanDerWaalsContact C-N 3.33Å; E203-G205 VanDerWaalsContact C-N 3.35Å; E203-G205 PolarHBondContact O-N 3.17Å; E203-R206 PolarHBondContact O-N 3.08Å; E203-R206 IonicContact OE2-CZ 3Å; E203-R206 VanDerWaalsContact OE2-CZ 3.29Å; E203-R206 IonicContact OE2-NE 2.67Å; E203-R206 PolarHBondContact OE2-NE 2.97Å; E203-R206 IonicContact OE2-NH2 3.81Å; E203-R206 PolarHBondContact OE2-NH2 3.47Å; E203-K207 HydrophobicContact CG-CG 4.11Å; E203-K207 VanDerWaalsContact O-CB 3.27Å; E203-K207 WeakPolarHBondContact O-CB 3.48Å; E203-K207 VanDerWaalsContact O-CG 3.22Å; E203-K207 WeakPolarHBondContact O-CG 3.18Å; E203-K207 PolarHBondContact O-N 3.06Å; E203-K207 VanDerWaalsContact OE1-CE 3.26Å; E203-K207 WeakPolarHBondContact OE1-CE 3.49Å
204	V	98.6	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-47.6	172.1	176	0	0	0	0	110.6	H200 N201 H202 R206 K207 V208 L245 Y248 E280 L281	H200-V204 WeakPolarHBondContact NE2-CG2 3.41Å; H200-V204 WeakPolarHBondContact O-CG2 3.38Å; H200-V204 PolarHBondContact O-N 2.93Å; N201-V204 PolarHBondContact O-N 3.49Å; H202-V204 VanDerWaalsContact C-N 3.34Å; H202-V204 PolarHBondContact O-N 3.12Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 3.22Å; V204-K207 PolarHBondContact O-N 2.92Å; V204-V208 WeakPolarHBondContact O-CG1 3.46Å; V204-V208 PolarHBondContact O-N 2.83Å; V204-L245 HydrophobicContact CG1-CD2 3.92Å; V204-Y248 HydrophobicContact CG1-CD2 4Å; V204-Y248 HydrophobicContact CG1-CE2 4.31Å; V204-E280 WeakPolarHBondContact CG2-O 3.4Å; V204-L281 HydrophobicContact CB-CD2 4.15Å; V204-L281 HydrophobicContact CG1-CD2 3.75Å; V204-L281 HydrophobicContact CG1-CG 4.49Å; V204-L281 HydrophobicContact CG2-CD2 4.46Å
205	G	98.5	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-34.9	177.2	0	0	0	0	0	114	A112 N201 H202 E203 V208	A112-G205 WeakPolarHBondContact O-CA 3.4Å; N201-G205 PolarHBondContact O-N 3.23Å; H202-G205 PolarHBondContact O-N 3.31Å; E203-G205 VanDerWaalsContact C-N 3.35Å; E203-G205 PolarHBondContact O-N 3.17Å; G205-V208 VanDerWaalsContact O-CG1 3.28Å; G205-V208 WeakPolarHBondContact O-CG1 3.26Å
206	R	98.7	Very high	97.2	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-71.6	-44.9	172.5	-77.4	-173.1	-64.5	-104.4	2.8	112.4	T115 V119 L172 D180 H202 E203 V204 I209 S210	T115-R206 HydrophobicContact CG2-CG 3.6Å; V119-R206 HydrophobicContact CG2-CG 4.15Å; L172-R206 HydrophobicContact CD2-CB 3.6Å; L172-R206 HydrophobicContact CD2-CG 3.8Å; D180-R206 VanDerWaalsContact CG-NH1 3.32Å; D180-R206 IonicContact OD1-CZ 2.77Å; D180-R206 IonicContact OD1-NH1 3.96Å; D180-R206 PolarHBondContact OD1-NH1 2.73Å; D180-R206 IonicContact OD1-NH2 3.87Å; D180-R206 IonicContact OD2-CZ 3.47Å; D180-R206 IonicContact OD2-NH1 2.68Å; D180-R206 PolarHBondContact OD2-NH1 2.67Å; D180-R206 IonicContact OD2-NH2 3.31Å; D180-R206 PolarHBondContact OD2-NH2 3.29Å; H202-R206 PolarHBondContact O-N 2.89Å; E203-R206 PolarHBondContact O-N 3.08Å; E203-R206 IonicContact OE2-CZ 3Å; E203-R206 VanDerWaalsContact OE2-CZ 3.29Å; E203-R206 IonicContact OE2-NE 2.67Å; E203-R206 PolarHBondContact OE2-NE 2.97Å; E203-R206 IonicContact OE2-NH2 3.81Å; E203-R206 PolarHBondContact OE2-NH2 3.47Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 3.22Å; R206-I209 PolarHBondContact O-N 3.26Å; R206-S210 PolarHBondContact O-N 3.37Å; R206-S210 PolarHBondContact O-OG 3.09Å
207	K	98.2	Very high	97.1	Very high	58 Å²	58	32.3 Å²	32.3	25%	0.252	16%	0.157	S	C	.	.	H	α-helix	trans	-64.9	-44.7	-175.4	-78.8	-73	-174	173.4	0	112	E203 V204 I209 S210 E211 H278	E203-K207 HydrophobicContact CG-CG 4.11Å; E203-K207 VanDerWaalsContact O-CB 3.27Å; E203-K207 WeakPolarHBondContact O-CB 3.48Å; E203-K207 VanDerWaalsContact O-CG 3.22Å; E203-K207 WeakPolarHBondContact O-CG 3.18Å; E203-K207 PolarHBondContact O-N 3.06Å; E203-K207 VanDerWaalsContact OE1-CE 3.26Å; E203-K207 WeakPolarHBondContact OE1-CE 3.49Å; V204-K207 PolarHBondContact O-N 2.92Å; K207-I209 PolarHBondContact O-N 3.05Å; K207-I209 VanDerWaalsContact O-N 3.14Å; K207-S210 WeakPolarHBondContact CA-OG 3.39Å; K207-S210 PolarHBondContact O-N 2.99Å; K207-S210 VanDerWaalsContact O-N 3.09Å; K207-S210 PolarHBondContact O-OG 2.98Å; K207-E211 WeakPolarHBondContact O-CB 3.05Å; K207-E211 WeakPolarHBondContact O-CG 3.3Å; K207-E211 PolarHBondContact O-N 3.48Å; K207-H278 HydrophobicContact CB-CB 4.35Å; K207-H278 HydrophobicContact CG-CB 4.13Å
208	V	98	Very high	97	Very high	1 Å²	1	40 Å²	40	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-57.3	-31.8	179.7	69.2	0	0	0	0	112.4	V204 G205 N212 I241 R244 L245 Y248	V204-V208 WeakPolarHBondContact O-CG1 3.46Å; V204-V208 PolarHBondContact O-N 2.83Å; G205-V208 VanDerWaalsContact O-CG1 3.28Å; G205-V208 WeakPolarHBondContact O-CG1 3.26Å; V208-N212 WeakPolarHBondContact O-CB 3.45Å; V208-N212 PolarHBondContact O-ND2 3.15Å; V208-I241 HydrophobicContact CG1-CG2 3.71Å; V208-I241 HydrophobicContact CG2-CG2 4.46Å; V208-R244 HydrophobicContact CG2-CB 3.82Å; V208-L245 HydrophobicContact CB-CD2 4.31Å; V208-L245 HydrophobicContact CG1-CD1 4.33Å; V208-L245 HydrophobicContact CG1-CD2 3.93Å; V208-L245 HydrophobicContact CG1-CG 4.12Å; V208-Y248 HydrophobicContact CG2-CE2 4.36Å
209	I	97.9	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-75.4	-54.3	174.1	-57.3	-176.7	0	0	0	110.1	A116 V119 H120 I168 R206 K207 E211 N212 M213 M235 I241	A116-I209 HydrophobicContact CB-CD1 3.8Å; A116-I209 HydrophobicContact CB-CG1 4.25Å; A116-I209 VanDerWaalsContact O-CD1 3.23Å; A116-I209 WeakPolarHBondContact O-CD1 3.03Å; V119-I209 HydrophobicContact CB-CD1 3.8Å; V119-I209 HydrophobicContact CG1-CD1 3.84Å; V119-I209 HydrophobicContact CG1-CG2 4.45Å; H120-I209 HydrophobicContact CB-CD1 4.5Å; I168-I209 HydrophobicContact CD1-CB 4.42Å; I168-I209 HydrophobicContact CD1-CG2 3.58Å; R206-I209 PolarHBondContact O-N 3.26Å; K207-I209 PolarHBondContact O-N 3.05Å; K207-I209 VanDerWaalsContact O-N 3.14Å; I209-E211 VanDerWaalsContact C-N 3.26Å; I209-E211 PolarHBondContact O-N 3.4Å; I209-N212 CarbonylContact O-C 3.51Å; I209-N212 PolarHBondContact O-N 3.13Å; I209-M213 HydrophobicContact CG2-SD 4.29Å; I209-M213 PolarHBondContact O-N 3.42Å; I209-M235 HydrophobicContact CG2-CG 4.04Å; I209-M235 HydrophobicContact CG2-SD 4.01Å; I209-I241 HydrophobicContact CD1-CD1 3.95Å; I209-I241 HydrophobicContact CG1-CD1 3.62Å; I209-I241 HydrophobicContact CG1-CG1 4.16Å; I209-I241 HydrophobicContact CG1-CG2 4.46Å
210	S	97.4	Very high	96.7	Very high	39 Å²	39	44.6 Å²	44.6	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-33.1	-173.5	65.9	0	0	0	0	113.7	R206 K207 N212 M213	R206-S210 PolarHBondContact O-N 3.37Å; R206-S210 PolarHBondContact O-OG 3.09Å; K207-S210 WeakPolarHBondContact CA-OG 3.39Å; K207-S210 PolarHBondContact O-N 2.99Å; K207-S210 VanDerWaalsContact O-N 3.09Å; K207-S210 PolarHBondContact O-OG 2.98Å; S210-N212 VanDerWaalsContact C-N 3.34Å; S210-M213 WeakPolarHBondContact O-CG 3.05Å
211	E	96.9	Very high	96.3	Very high	106 Å²	106	43.8 Å²	43.8	50%	0.495	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-14	179.6	-68.4	175.3	175.7	0	0	112.7	K207 I209	K207-E211 WeakPolarHBondContact O-CB 3.05Å; K207-E211 WeakPolarHBondContact O-CG 3.3Å; K207-E211 PolarHBondContact O-N 3.48Å; I209-E211 VanDerWaalsContact C-N 3.26Å; I209-E211 PolarHBondContact O-N 3.4Å
212	N	97.3	Very high	96.1	Very high	32 Å²	32	50 Å²	50	17%	0.171	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	18.6	-178.7	-65.3	-70.1	0	0	0	113	V208 I209 S210 P236 R244	V208-N212 WeakPolarHBondContact O-CB 3.45Å; V208-N212 PolarHBondContact O-ND2 3.15Å; I209-N212 CarbonylContact O-C 3.51Å; I209-N212 PolarHBondContact O-N 3.13Å; S210-N212 VanDerWaalsContact C-N 3.34Å; N212-P236 HydrophobicContact CB-CB 4.47Å; N212-P236 HydrophobicContact CB-CG 4.03Å; N212-P236 WeakPolarHBondContact O-CD 3.39Å; N212-R244 PolarHBondContact ND2-NH1 3.43Å; N212-R244 PolarHBondContact OD1-NH1 3.49Å; N212-R244 PolarHBondContact OD1-NH2 3.47Å
213	M	97	Very high	95.8	Very high	33 Å²	33	55.8 Å²	55.8	16%	0.163	29%	0.287	C	S	.	.			trans	-59.1	136.9	165.5	-61.3	-64.6	-64.4	0	0	109.3	D166 I168 I209 S210 L233 M235	D166-M213 HydrophobicContact CB-CE 3.94Å; I168-M213 HydrophobicContact CB-CE 4.01Å; I168-M213 HydrophobicContact CB-SD 4.04Å; I168-M213 HydrophobicContact CD1-SD 4.3Å; I168-M213 HydrophobicContact CG1-SD 3.96Å; I168-M213 HydrophobicContact CG2-CE 4.16Å; I168-M213 HydrophobicContact CG2-SD 4.38Å; I209-M213 HydrophobicContact CG2-SD 4.29Å; I209-M213 PolarHBondContact O-N 3.42Å; S210-M213 WeakPolarHBondContact O-CG 3.05Å; M213-L233 HydrophobicContact CB-CD1 3.86Å; M213-L233 HydrophobicContact CB-CD2 4.14Å; M213-L233 HydrophobicContact CB-CG 4Å; M213-L233 HydrophobicContact CE-CD2 3.77Å; M213-L233 HydrophobicContact CE-CG 3.69Å; M213-L233 HydrophobicContact CG-CD2 4.38Å; M213-M235 HydrophobicContact CE-CB 4.45Å; M213-M235 HydrophobicContact CE-CG 3.75Å; M213-M235 HydrophobicContact SD-CB 4.13Å; M213-M235 HydrophobicContact SD-CG 3.51Å; M213-M235 VanDerWaalsContact SD-CG 3.51Å
214	R	95.1	Very high	95.4	Very high	107 Å²	107	56.6 Å²	56.6	40%	0.404	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.5	-177.8	65.5	-177.3	-174.1	-177	3.9	111.4	S216 Q234	R214-S216 PolarHBondContact O-N 2.92Å; R214-Q234 HydrophobicContact CG-CB 4.33Å; R214-Q234 PolarHBondContact N-O 3.15Å; R214-Q234 PolarHBondContact O-N 2.64Å
215	R	93.9	Very high	95	Very high	101 Å²	101	59 Å²	59	38%	0.381	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.2	167.6	-178.1	-177	63.4	153	-1.5	108.3	W159 C231 W232	W159-R215 VanDerWaalsContact CD1-NH1 3.32Å; W159-R215 HydrophobicContact CH2-CG 4.28Å; W159-R215 VanDerWaalsContact CZ2-CD 3.45Å; R215-C231 HydrophobicContact CG-CB 3.6Å; R215-W232 WeakPolarHBondContact CA-O 3.44Å
216	S	94.5	Very high	94.6	Very high	31 Å²	31	62.2 Å²	62.2	22%	0.217	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.3	170.5	-168.8	0	0	0	0	109.1	R214 C231 W232	R214-S216 PolarHBondContact O-N 2.92Å; S216-C231 CarbonylContact O-C 3.48Å; S216-C231 WeakPolarHBondContact O-CA 3.43Å; S216-C231 WeakPolarHBondContact O-CB 3.49Å; S216-W232 PolarHBondContact N-O 2.84Å; S216-W232 PolarHBondContact O-N 3.38Å
217	C	94.1	Very high	94.1	Very high	46 Å²	46	68.7 Å²	68.7	31%	0.311	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.8	-174.6	-59.2	0	0	0	0	111.3	K229 T230 C231	C217-K229 HydrophobicContact CB-CD 4.46Å; C217-T230 CarbonylContact C-O 3.53Å; C217-T230 VanDerWaalsContact CA-O 3.3Å; C217-T230 WeakPolarHBondContact CA-O 3.22Å; C217-C231 HydrophobicContact CB-CB 3.95Å; C217-C231 WeakPolarHBondContact CB-SG 3.27Å; C217-C231 WeakPolarHBondContact SG-CB 3.46Å; C217-C231 CovalentContact SG-SG 2.03Å; C217-C231 PolarHBondContact SG-SG 3.01Å
218	R	94.4	Very high	93.6	Very high	165 Å²	165	72.3 Å²	72.3	62%	0.623	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.1	166.9	-175	171.8	-178.9	175.5	1.2	109.7	H220 K229 T230 W232	R218-H220 PolarHBondContact O-CD2 3.34Å; R218-H220 VanDerWaalsContact O-CD2 3.3Å; R218-H220 PolarHBondContact O-NE2 3.03Å; R218-K229 CarbonylContact O-C 3.6Å; R218-K229 VanDerWaalsContact O-CA 3.23Å; R218-K229 WeakPolarHBondContact O-CA 3.32Å; R218-K229 WeakPolarHBondContact O-CB 3.23Å; R218-T230 PolarHBondContact N-O 3.45Å; R218-T230 PolarHBondContact O-N 2.87Å; R218-W232 HydrophobicContact CB-CH2 3.89Å; R218-W232 HydrophobicContact CB-CZ3 3.85Å
219	C	94.4	Very high	93.3	Very high	39 Å²	39	73.5 Å²	73.5	26%	0.264	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.2	177	-59	0	0	0	0	110.3	S225 C226	C219-S225 WeakPolarHBondContact CB-O 3.46Å; C219-C226 HydrophobicContact CB-CB 3.86Å; C219-C226 WeakPolarHBondContact CB-SG 3.19Å; C219-C226 VanDerWaalsContact SG-CA 3.53Å; C219-C226 WeakPolarHBondContact SG-CB 3.47Å; C219-C226 CovalentContact SG-SG 2.02Å; C219-C226 PolarHBondContact SG-SG 2.94Å
220	H	93.1	Very high	93.1	Very high	102 Å²	102	75.3 Å²	75.3	47%	0.472	41%	0.406	S	S	.	.			trans	-126.8	1.1	-171.9	-60.6	-75.3	0	0	0	113.4	R218 F228 T230	R218-H220 PolarHBondContact O-CD2 3.34Å; R218-H220 VanDerWaalsContact O-CD2 3.3Å; R218-H220 PolarHBondContact O-NE2 3.03Å; H220-F228 PolarHBondContact N-O 3.21Å; H220-T230 PolarHBondContact CD2-OG1 2.94Å; H220-T230 PolarHBondContact NE2-OG1 3.21Å; H220-T230 VanDerWaalsContact NE2-OG1 3.11Å
221	G	89.4	Confident	93	Very high	12 Å²	12	73.4 Å²	73.4	12%	0.124	39%	0.393	C	S	.	.	S	Bend	trans	-69.6	169.4	178.5	0	0	0	0	0	112.8	S223 G224 S225	G221-S223 PolarHBondContact O-N 3.49Å; G221-G224 PolarHBondContact O-N 3.45Å; G221-S225 WeakPolarHBondContact CA-O 3.48Å; G221-S225 PolarHBondContact N-O 2.87Å; G221-S225 PolarHBondContact O-N 3.13Å
222	V	93.8	Very high	93	Very high	131 Å²	131	71.1 Å²	71.1	79%	0.794	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-52.7	132.6	179.4	-176.2	0	0	0	0	109.9	G224 S225	V222-G224 PolarHBondContact O-N 3.3Å; V222-G224 VanDerWaalsContact O-N 3.13Å; V222-S225 VanDerWaalsContact O-CB 3.26Å; V222-S225 WeakPolarHBondContact O-CB 3.49Å; V222-S225 PolarHBondContact O-N 3.36Å
223	S	92.2	Very high	92.9	Very high	130 Å²	130	71.5 Å²	71.5	91%	0.909	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	55.3	27	-177.6	-55.5	0	0	0	0	115.1	G221	G221-S223 PolarHBondContact O-N 3.49Å
224	G	90.2	Very high	92.9	Very high	52 Å²	52	72.7 Å²	72.7	54%	0.536	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	86.9	10.2	-179.1	0	0	0	0	0	114.5	G221 V222	G221-G224 PolarHBondContact O-N 3.45Å; V222-G224 PolarHBondContact O-N 3.3Å; V222-G224 VanDerWaalsContact O-N 3.13Å
225	S	90.7	Very high	93	Very high	51 Å²	51	68 Å²	68	36%	0.357	37%	0.37	S	S	.	.			trans	-54	142	174.3	172.4	0	0	0	0	112.2	C219 G221 V222 E227	C219-S225 WeakPolarHBondContact CB-O 3.46Å; G221-S225 WeakPolarHBondContact CA-O 3.48Å; G221-S225 PolarHBondContact N-O 2.87Å; G221-S225 PolarHBondContact O-N 3.13Å; V222-S225 VanDerWaalsContact O-CB 3.26Å; V222-S225 WeakPolarHBondContact O-CB 3.49Å; V222-S225 PolarHBondContact O-N 3.36Å; S225-E227 PolarHBondContact OG-N 3.06Å
226	C	90	Very high	93.2	Very high	68 Å²	68	63.6 Å²	63.6	46%	0.459	35%	0.354	S	S	.	.	S	Bend	trans	-94.8	12.4	-179.6	-67	0	0	0	0	114.2	C219 F228	C219-C226 HydrophobicContact CB-CB 3.86Å; C219-C226 WeakPolarHBondContact CB-SG 3.19Å; C219-C226 VanDerWaalsContact SG-CA 3.53Å; C219-C226 WeakPolarHBondContact SG-CB 3.47Å; C219-C226 CovalentContact SG-SG 2.02Å; C219-C226 PolarHBondContact SG-SG 2.94Å; C226-F228 PolarHBondContact O-N 3.39Å
227	E	86.6	Confident	93.4	Very high	138 Å²	138	68.2 Å²	68.2	65%	0.645	37%	0.37	S	S	*	.	S	Bend	trans	-54.3	-40.3	173.2	-173.9	-177.8	179.3	0	0	111.6	S225	S225-E227 PolarHBondContact OG-N 3.06Å
228	F	88.5	Confident	93.5	Very high	134 Å²	134	67 Å²	67	59%	0.588	36%	0.36	S	S	*	.	S	Bend	trans	-114.8	118	169.5	-54.3	-77.9	0	0	0	109.4	H220 C226	H220-F228 PolarHBondContact N-O 3.21Å; C226-F228 PolarHBondContact O-N 3.39Å
229	K	92.1	Very high	93.7	Very high	26 Å²	26	61.9 Å²	61.9	11%	0.113	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.7	177.2	67	-168.6	178.8	-171	0	112.6	E157 W159 R160 C217 R218	E157-K229 IonicContact OE1-NZ 2.61Å; E157-K229 PolarHBondContact OE1-NZ 3.07Å; E157-K229 IonicContact OE2-NZ 2.77Å; E157-K229 PolarHBondContact OE2-NZ 2.98Å; W159-K229 HydrophobicContact CB-CD 4.48Å; W159-K229 HydrophobicContact CB-CG 3.64Å; W159-K229 WeakPolarHBondContact CB-O 3.03Å; R160-K229 PolarHBondContact N-O 3.1Å; C217-K229 HydrophobicContact CB-CD 4.46Å; R218-K229 CarbonylContact O-C 3.6Å; R218-K229 VanDerWaalsContact O-CA 3.23Å; R218-K229 WeakPolarHBondContact O-CA 3.32Å; R218-K229 WeakPolarHBondContact O-CB 3.23Å
230	T	93.5	Very high	93.9	Very high	38 Å²	38	62.3 Å²	62.3	23%	0.233	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.7	174.3	-54	0	0	0	0	108.1	R160 G162 C217 R218 H220	R160-T230 CarbonylContact O-C 3.6Å; R160-T230 WeakPolarHBondContact O-CA 3.32Å; G162-T230 VanDerWaalsContact CA-CG2 3.41Å; C217-T230 CarbonylContact C-O 3.53Å; C217-T230 VanDerWaalsContact CA-O 3.3Å; C217-T230 WeakPolarHBondContact CA-O 3.22Å; R218-T230 PolarHBondContact N-O 3.45Å; R218-T230 PolarHBondContact O-N 2.87Å; H220-T230 PolarHBondContact CD2-OG1 2.94Å; H220-T230 PolarHBondContact NE2-OG1 3.21Å; H220-T230 VanDerWaalsContact NE2-OG1 3.11Å
231	C	95.6	Very high	94.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.8	178.7	-42.7	0	0	0	0	113	W159 R160 W161 G162 R215 S216 C217	W159-C231 HydrophobicContact CD2-CB 4.31Å; W159-C231 HydrophobicContact CE3-CB 3.48Å; W159-C231 VanDerWaalsContact CE3-CB 3.48Å; W159-C231 VanDerWaalsContact CE3-SG 3.51Å; W159-C231 HydrophobicContact CH2-CB 4.21Å; W159-C231 HydrophobicContact CZ3-CB 3.45Å; W159-C231 VanDerWaalsContact CZ3-CB 3.45Å; R160-C231 PolarHBondContact O-N 2.94Å; W161-C231 WeakPolarHBondContact CA-O 3.19Å; G162-C231 PolarHBondContact N-O 3.01Å; R215-C231 HydrophobicContact CG-CB 3.6Å; S216-C231 CarbonylContact O-C 3.48Å; S216-C231 WeakPolarHBondContact O-CA 3.43Å; S216-C231 WeakPolarHBondContact O-CB 3.49Å; C217-C231 HydrophobicContact CB-CB 3.95Å; C217-C231 WeakPolarHBondContact CB-SG 3.27Å; C217-C231 WeakPolarHBondContact SG-CB 3.46Å; C217-C231 CovalentContact SG-SG 2.03Å; C217-C231 PolarHBondContact SG-SG 3.01Å
232	W	96.2	Very high	94.6	Very high	57 Å²	57	56.9 Å²	56.9	22%	0.216	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	163.1	176.3	55.8	101.3	0	0	0	110.4	G162 S165 R215 S216 R218	G162-W232 WeakPolarHBondContact O-CB 3.42Å; S165-W232 WeakPolarHBondContact OG-CA 3.36Å; S165-W232 WeakPolarHBondContact OG-CB 3.35Å; R215-W232 WeakPolarHBondContact CA-O 3.44Å; S216-W232 PolarHBondContact N-O 2.84Å; S216-W232 PolarHBondContact O-N 3.38Å; R218-W232 HydrophobicContact CB-CH2 3.89Å; R218-W232 HydrophobicContact CB-CZ3 3.85Å
233	L	96.4	Very high	94.8	Very high	40 Å²	40	56 Å²	56	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.9	172.8	-164.9	69.6	0	0	0	109.3	W161 S165 D166 M213	W161-L233 HydrophobicContact CZ3-CB 4.39Å; S165-L233 WeakPolarHBondContact CA-O 3.49Å; S165-L233 PolarHBondContact OG-N 2.79Å; S165-L233 VanDerWaalsContact OG-N 3.07Å; D166-L233 PolarHBondContact N-O 2.9Å; M213-L233 HydrophobicContact CB-CD1 3.86Å; M213-L233 HydrophobicContact CB-CD2 4.14Å; M213-L233 HydrophobicContact CB-CG 4Å; M213-L233 HydrophobicContact CE-CD2 3.77Å; M213-L233 HydrophobicContact CE-CG 3.69Å; M213-L233 HydrophobicContact CG-CD2 4.38Å
234	Q	97	Very high	95.1	Very high	59 Å²	59	54.5 Å²	54.5	28%	0.276	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.9	-177.5	-165.6	-177.4	34.6	0	0	110.5	D166 R214	D166-Q234 VanDerWaalsContact OD2-CA 3.32Å; D166-Q234 WeakPolarHBondContact OD2-CA 3.32Å; R214-Q234 HydrophobicContact CG-CB 4.33Å; R214-Q234 PolarHBondContact N-O 3.15Å; R214-Q234 PolarHBondContact O-N 2.64Å
235	M	97.1	Very high	95.5	Very high	9 Å²	9	52 Å²	52	4%	0.044	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-63.3	149	169.5	-70.7	-172.4	-57	0	0	111.1	H120 V123 D166 I168 I209 M213	H120-M235 WeakPolarHBondContact O-CE 3.25Å; V123-M235 HydrophobicContact CB-CE 3.49Å; V123-M235 VanDerWaalsContact CB-CE 3.49Å; V123-M235 HydrophobicContact CB-SD 3.54Å; V123-M235 VanDerWaalsContact CB-SD 3.54Å; V123-M235 HydrophobicContact CG1-CE 3.46Å; V123-M235 VanDerWaalsContact CG1-CE 3.46Å; V123-M235 HydrophobicContact CG1-CG 4.26Å; V123-M235 HydrophobicContact CG1-SD 3.55Å; V123-M235 VanDerWaalsContact CG1-SD 3.55Å; V123-M235 HydrophobicContact CG2-SD 3.98Å; D166-M235 HydrophobicContact CB-CG 4.11Å; D166-M235 PolarHBondContact OD2-N 3.11Å; I168-M235 HydrophobicContact CD1-CG 4.43Å; I168-M235 HydrophobicContact CD1-SD 4.09Å; I209-M235 HydrophobicContact CG2-CG 4.04Å; I209-M235 HydrophobicContact CG2-SD 4.01Å; M213-M235 HydrophobicContact CE-CB 4.45Å; M213-M235 HydrophobicContact CE-CG 3.75Å; M213-M235 HydrophobicContact SD-CB 4.13Å; M213-M235 HydrophobicContact SD-CG 3.51Å; M213-M235 VanDerWaalsContact SD-CG 3.51Å
236	P	97.5	Very high	95.9	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.052	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-64.1	158	168.2	29.5	-33.8	0	0	0	110.2	N212 D240 I241	N212-P236 HydrophobicContact CB-CB 4.47Å; N212-P236 HydrophobicContact CB-CG 4.03Å; N212-P236 WeakPolarHBondContact O-CD 3.39Å; P236-D240 HydrophobicContact CB-CB 4.35Å; P236-I241 HydrophobicContact CB-CG1 4.3Å; P236-I241 HydrophobicContact CG-CD1 3.9Å; P236-I241 HydrophobicContact CG-CG1 3.69Å
237	K	97.7	Very high	96.3	Very high	127 Å²	127	51.1 Å²	51.1	55%	0.552	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-64.4	149.7	174.3	-64	176	172.8	177.4	0	109.2	T239 D240 I241	K237-T239 WeakPolarHBondContact CB-OG1 3.46Å; K237-T239 PolarHBondContact O-N 3.38Å; K237-D240 PolarHBondContact N-OD2 3.33Å; K237-D240 WeakPolarHBondContact O-CB 3.43Å; K237-D240 PolarHBondContact O-N 2.92Å; K237-I241 PolarHBondContact O-N 3.4Å; K237-I241 VanDerWaalsContact O-N 3.12Å
238	L	97.8	Very high	96.8	Very high	20 Å²	20	45.6 Å²	45.6	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-30.6	176.6	-167.9	65	0	0	0	112.9	Q66 E70 I113 H120 I241 G242	Q66-L238 HydrophobicContact CB-CD2 3.62Å; E70-L238 HydrophobicContact CB-CD2 4.36Å; E70-L238 HydrophobicContact CB-CG 4.45Å; E70-L238 HydrophobicContact CG-CG 4.4Å; I113-L238 HydrophobicContact CD1-CD1 4.27Å; H120-L238 HydrophobicContact CB-CD1 4.33Å; L238-I241 HydrophobicContact CD1-CB 4.49Å; L238-I241 HydrophobicContact CD1-CD1 4.16Å; L238-I241 WeakPolarHBondContact O-CB 3.35Å; L238-I241 PolarHBondContact O-N 3.27Å; L238-G242 PolarHBondContact O-N 3.21Å
239	T	98.3	Very high	97.3	Very high	58 Å²	58	39.8 Å²	39.8	36%	0.356	19%	0.187	S	C	.	.	H	α-helix	trans	-60.3	-46.4	172.2	52.4	0	0	0	0	112.1	K237 I241 G242 E243	K237-T239 WeakPolarHBondContact CB-OG1 3.46Å; K237-T239 PolarHBondContact O-N 3.38Å; T239-I241 VanDerWaalsContact C-N 3.27Å; T239-I241 PolarHBondContact O-N 3.07Å; T239-G242 PolarHBondContact O-N 2.86Å; T239-G242 VanDerWaalsContact O-N 3.16Å; T239-E243 WeakPolarHBondContact O-CG 3.26Å; T239-E243 PolarHBondContact O-N 2.84Å
240	D	98.3	Very high	97.5	Very high	48 Å²	48	42.3 Å²	42.3	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-66.4	-34.1	-179.8	-47.6	-21.3	0	0	0	110.5	P236 K237 R244	P236-D240 HydrophobicContact CB-CB 4.35Å; K237-D240 PolarHBondContact N-OD2 3.33Å; K237-D240 WeakPolarHBondContact O-CB 3.43Å; K237-D240 PolarHBondContact O-N 2.92Å; D240-R244 WeakPolarHBondContact O-CG 3.39Å; D240-R244 PolarHBondContact O-N 2.9Å
241	I	98.5	Very high	97.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-45.6	173.4	-64.1	158.4	0	0	0	110.5	A116 V208 I209 P236 K237 L238 T239 E243 R244 L245	A116-I241 HydrophobicContact CB-CG2 3.77Å; V208-I241 HydrophobicContact CG1-CG2 3.71Å; V208-I241 HydrophobicContact CG2-CG2 4.46Å; I209-I241 HydrophobicContact CD1-CD1 3.95Å; I209-I241 HydrophobicContact CG1-CD1 3.62Å; I209-I241 HydrophobicContact CG1-CG1 4.16Å; I209-I241 HydrophobicContact CG1-CG2 4.46Å; P236-I241 HydrophobicContact CB-CG1 4.3Å; P236-I241 HydrophobicContact CG-CD1 3.9Å; P236-I241 HydrophobicContact CG-CG1 3.69Å; K237-I241 PolarHBondContact O-N 3.4Å; K237-I241 VanDerWaalsContact O-N 3.12Å; L238-I241 HydrophobicContact CD1-CB 4.49Å; L238-I241 HydrophobicContact CD1-CD1 4.16Å; L238-I241 WeakPolarHBondContact O-CB 3.35Å; L238-I241 PolarHBondContact O-N 3.27Å; T239-I241 VanDerWaalsContact C-N 3.27Å; T239-I241 PolarHBondContact O-N 3.07Å; I241-E243 PolarHBondContact O-N 3.29Å; I241-R244 PolarHBondContact O-N 2.97Å; I241-L245 HydrophobicContact CG2-CD1 3.95Å; I241-L245 HydrophobicContact CG2-CG 4.31Å; I241-L245 WeakPolarHBondContact O-CB 3.42Å; I241-L245 WeakPolarHBondContact O-CG 3.35Å; I241-L245 PolarHBondContact O-N 2.71Å
242	G	98.5	Very high	97.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-46.2	176.8	0	0	0	0	0	112.1	L238 T239 R244 L245 K246	L238-G242 PolarHBondContact O-N 3.21Å; T239-G242 PolarHBondContact O-N 2.86Å; T239-G242 VanDerWaalsContact O-N 3.16Å; G242-R244 PolarHBondContact O-N 3.39Å; G242-L245 PolarHBondContact O-N 2.9Å; G242-K246 VanDerWaalsContact O-CB 3.27Å; G242-K246 WeakPolarHBondContact O-CB 3.3Å; G242-K246 PolarHBondContact O-N 3Å
243	E	98.5	Very high	97.7	Very high	111 Å²	111	50.2 Å²	50.2	52%	0.519	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-43.4	176.7	-72.5	174.4	-176.9	0	0	112.2	T239 I241 K246 M247	T239-E243 WeakPolarHBondContact O-CG 3.26Å; T239-E243 PolarHBondContact O-N 2.84Å; I241-E243 PolarHBondContact O-N 3.29Å; E243-K246 PolarHBondContact O-N 2.83Å; E243-M247 PolarHBondContact O-N 3.39Å
244	R	98.3	Very high	97.7	Very high	100 Å²	100	49.3 Å²	49.3	38%	0.377	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-44.8	176.8	-75.2	173.2	179.1	-101.4	6.8	112.2	V208 N212 D240 I241 G242 K246 M247 Y248	V208-R244 HydrophobicContact CG2-CB 3.82Å; N212-R244 PolarHBondContact ND2-NH1 3.43Å; N212-R244 PolarHBondContact OD1-NH1 3.49Å; N212-R244 PolarHBondContact OD1-NH2 3.47Å; D240-R244 WeakPolarHBondContact O-CG 3.39Å; D240-R244 PolarHBondContact O-N 2.9Å; I241-R244 PolarHBondContact O-N 2.97Å; G242-R244 PolarHBondContact O-N 3.39Å; R244-K246 VanDerWaalsContact C-N 3.26Å; R244-K246 PolarHBondContact O-N 3.39Å; R244-M247 WeakPolarHBondContact O-CB 3.45Å; R244-M247 PolarHBondContact O-N 2.94Å; R244-Y248 WeakPolarHBondContact O-CD1 3.43Å; R244-Y248 PolarHBondContact O-N 3.49Å
245	L	98.7	Very high	97.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-34	175.3	-71.4	177.8	0	0	0	111.4	F109 A112 I113 A116 V204 V208 I241 G242 Y248 Y249	F109-L245 HydrophobicContact CD2-CB 4.21Å; F109-L245 HydrophobicContact CE2-CB 3.73Å; F109-L245 HydrophobicContact CZ-CB 4.48Å; A112-L245 HydrophobicContact CB-CD1 4.08Å; A112-L245 HydrophobicContact CB-CD2 3.92Å; I113-L245 HydrophobicContact CB-CD1 4.12Å; I113-L245 HydrophobicContact CD1-CD1 3.96Å; A116-L245 HydrophobicContact CB-CD1 4.39Å; V204-L245 HydrophobicContact CG1-CD2 3.92Å; V208-L245 HydrophobicContact CB-CD2 4.31Å; V208-L245 HydrophobicContact CG1-CD1 4.33Å; V208-L245 HydrophobicContact CG1-CD2 3.93Å; V208-L245 HydrophobicContact CG1-CG 4.12Å; I241-L245 HydrophobicContact CG2-CD1 3.95Å; I241-L245 HydrophobicContact CG2-CG 4.31Å; I241-L245 WeakPolarHBondContact O-CB 3.42Å; I241-L245 WeakPolarHBondContact O-CG 3.35Å; I241-L245 PolarHBondContact O-N 2.71Å; G242-L245 PolarHBondContact O-N 2.9Å; L245-Y248 HydrophobicContact CD2-CD2 4.05Å; L245-Y248 PolarHBondContact O-N 2.95Å; L245-Y249 WeakPolarHBondContact O-CB 3.27Å; L245-Y249 PolarHBondContact O-N 2.9Å
246	K	98.4	Very high	97.7	Very high	21 Å²	21	47.9 Å²	47.9	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-41.7	175.9	-175.7	59	169.4	72	0	111	Q74 F75 E78 F109 G242 E243 R244 Y248 Y249 D250	Q74-K246 HydrophobicContact CB-CB 4.49Å; Q74-K246 HydrophobicContact CB-CD 4.36Å; Q74-K246 HydrophobicContact CB-CG 4.46Å; Q74-K246 HydrophobicContact CG-CB 4.44Å; F75-K246 HydrophobicContact CE2-CD 4.02Å; F75-K246 HydrophobicContact CZ-CD 3.97Å; E78-K246 WeakPolarHBondContact OE1-CE 3.4Å; E78-K246 IonicContact OE1-NZ 3.76Å; E78-K246 PolarHBondContact OE1-NZ 3.33Å; F109-K246 HydrophobicContact CE2-CB 4.2Å; G242-K246 VanDerWaalsContact O-CB 3.27Å; G242-K246 WeakPolarHBondContact O-CB 3.3Å; G242-K246 PolarHBondContact O-N 3Å; E243-K246 PolarHBondContact O-N 2.83Å; R244-K246 VanDerWaalsContact C-N 3.26Å; R244-K246 PolarHBondContact O-N 3.39Å; K246-Y248 VanDerWaalsContact C-N 3.3Å; K246-Y248 PolarHBondContact O-N 2.62Å; K246-Y249 HydrophobicContact CD-CD1 4.06Å; K246-Y249 WeakPolarHBondContact O-CB 3.46Å; K246-Y249 PolarHBondContact O-N 3.1Å; K246-Y249 VanDerWaalsContact O-N 3.15Å; K246-D250 IonicContact NZ-OD1 2.73Å; K246-D250 PolarHBondContact NZ-OD1 3.11Å; K246-D250 IonicContact NZ-OD2 3.08Å; K246-D250 PolarHBondContact NZ-OD2 3.41Å; K246-D250 PolarHBondContact O-N 3.14Å
247	M	98.1	Very high	97.5	Very high	79 Å²	79	48.9 Å²	48.9	39%	0.389	23%	0.23	S	C	.	.	H	α-helix	trans	-58.8	-41.4	170.8	-177.5	-175.3	65.7	0	0	111.7	E243 R244 D250 R251	E243-M247 PolarHBondContact O-N 3.39Å; R244-M247 WeakPolarHBondContact O-CB 3.45Å; R244-M247 PolarHBondContact O-N 2.94Å; M247-D250 PolarHBondContact O-N 2.96Å; M247-R251 WeakPolarHBondContact O-CB 3.33Å; M247-R251 PolarHBondContact O-N 3.44Å
248	Y	98.3	Very high	97.1	Very high	22 Å²	22	49 Å²	49	9%	0.086	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-41.4	174.7	-62.1	-14.7	0	0	0	111.9	V204 V208 R244 L245 K246 D250 S252 A253 S279	V204-Y248 HydrophobicContact CG1-CD2 4Å; V204-Y248 HydrophobicContact CG1-CE2 4.31Å; V208-Y248 HydrophobicContact CG2-CE2 4.36Å; R244-Y248 WeakPolarHBondContact O-CD1 3.43Å; R244-Y248 PolarHBondContact O-N 3.49Å; L245-Y248 HydrophobicContact CD2-CD2 4.05Å; L245-Y248 PolarHBondContact O-N 2.95Å; K246-Y248 VanDerWaalsContact C-N 3.3Å; K246-Y248 PolarHBondContact O-N 2.62Å; Y248-D250 PolarHBondContact O-N 2.97Å; Y248-S252 WeakPolarHBondContact CA-OG 3.4Å; Y248-S252 WeakPolarHBondContact CB-OG 3.23Å; Y248-S252 CarbonylContact O-C 3.15Å; Y248-S252 WeakPolarHBondContact O-CA 3.05Å; Y248-S252 PolarHBondContact O-N 2.98Å; Y248-S252 PolarHBondContact O-OG 3.42Å; Y248-S252 VanDerWaalsContact O-OG 3.12Å; Y248-A253 PolarHBondContact O-N 3.49Å; Y248-S279 WeakPolarHBondContact CD1-O 3.2Å
249	Y	98.3	Very high	96.7	Very high	12 Å²	12	59.2 Å²	59.2	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-46.7	174.6	169.1	-89.1	0	0	0	111.2	F75 R105 E106 F109 L245 K246 A253	F75-Y249 HydrophobicContact CE1-CD1 4.12Å; F75-Y249 AromaticContact CE1-CE1 3.57Å; F75-Y249 HydrophobicContact CE1-CE1 3.57Å; F75-Y249 HydrophobicContact CE1-CE2 4.05Å; F75-Y249 AromaticContact CE1-CZ 3.53Å; F75-Y249 AromaticContact CZ-CD1 3.84Å; F75-Y249 HydrophobicContact CZ-CD1 3.84Å; F75-Y249 AromaticContact CZ-CD2 4Å; F75-Y249 HydrophobicContact CZ-CD2 4Å; F75-Y249 AromaticContact CZ-CE1 3.76Å; F75-Y249 HydrophobicContact CZ-CE1 3.76Å; F75-Y249 AromaticContact CZ-CE2 3.88Å; F75-Y249 HydrophobicContact CZ-CE2 3.88Å; F75-Y249 AromaticContact CZ-CG 3.97Å; F75-Y249 HydrophobicContact CZ-CG 3.97Å; F75-Y249 AromaticContact CZ-CZ 3.78Å; R105-Y249 HydrophobicContact CB-CD2 4.02Å; R105-Y249 HydrophobicContact CB-CE2 3.44Å; R105-Y249 VanDerWaalsContact CB-CE2 3.44Å; R105-Y249 PolarHBondContact NH2-O 3.44Å; E106-Y249 HydrophobicContact CG-CE2 4.4Å; E106-Y249 PolarHBondContact OE1-OH 2.91Å; F109-Y249 HydrophobicContact CB-CD2 4.07Å; L245-Y249 WeakPolarHBondContact O-CB 3.27Å; L245-Y249 PolarHBondContact O-N 2.9Å; K246-Y249 HydrophobicContact CD-CD1 4.06Å; K246-Y249 WeakPolarHBondContact O-CB 3.46Å; K246-Y249 PolarHBondContact O-N 3.1Å; K246-Y249 VanDerWaalsContact O-N 3.15Å; Y249-A253 WeakPolarHBondContact O-CB 3.41Å
250	D	97	Very high	96.1	Very high	79 Å²	79	57 Å²	57	42%	0.422	26%	0.255	S	S	.	.	H	α-helix	trans	-71.9	-44.4	-176.3	-69.3	-28	0	0	0	112.9	K246 M247 Y248	K246-D250 IonicContact NZ-OD1 2.73Å; K246-D250 PolarHBondContact NZ-OD1 3.11Å; K246-D250 IonicContact NZ-OD2 3.08Å; K246-D250 PolarHBondContact NZ-OD2 3.41Å; K246-D250 PolarHBondContact O-N 3.14Å; M247-D250 PolarHBondContact O-N 2.96Å; Y248-D250 PolarHBondContact O-N 2.97Å
251	R	96.5	Very high	95.4	Very high	212 Å²	212	64.2 Å²	64.2	80%	0.8	28%	0.284	S	S	*	.	H	α-helix	trans	-106.9	-25	-166.9	-58.3	-175.5	-179.5	-174.5	-0.8	114.7	M247	M247-R251 WeakPolarHBondContact O-CB 3.33Å; M247-R251 PolarHBondContact O-N 3.44Å
252	S	95.6	Very high	94.8	Very high	26 Å²	26	74.9 Å²	74.9	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-135.2	20.2	-169.1	71.3	0	0	0	0	114.2	Y248 S279 E280 L281	Y248-S252 WeakPolarHBondContact CA-OG 3.4Å; Y248-S252 WeakPolarHBondContact CB-OG 3.23Å; Y248-S252 CarbonylContact O-C 3.15Å; Y248-S252 WeakPolarHBondContact O-CA 3.05Å; Y248-S252 PolarHBondContact O-N 2.98Å; Y248-S252 PolarHBondContact O-OG 3.42Å; Y248-S252 VanDerWaalsContact O-OG 3.12Å; S252-S279 PolarHBondContact OG-O 2.97Å; S252-E280 WeakPolarHBondContact O-CA 3.49Å; S252-E280 WeakPolarHBondContact O-CB 3.26Å; S252-L281 PolarHBondContact O-N 3.45Å
253	A	97.2	Very high	94.5	Very high	22 Å²	22	81.8 Å²	81.8	18%	0.182	35%	0.354	C	S	.	.			trans	-77.7	123.7	170.8	0	0	0	0	0	110.8	R105 Y248 Y249 L281 F283	R105-A253 HydrophobicContact CG-CB 4.35Å; Y248-A253 PolarHBondContact O-N 3.49Å; Y249-A253 WeakPolarHBondContact O-CB 3.41Å; A253-L281 CarbonylContact C-O 3.54Å; A253-L281 VanDerWaalsContact CA-O 3.32Å; A253-L281 WeakPolarHBondContact CA-O 3.2Å; A253-L281 HydrophobicContact CB-CB 4.42Å; A253-F283 HydrophobicContact CB-CD1 4.28Å; A253-F283 HydrophobicContact CB-CE1 4.13Å
254	I	96.6	Very high	94.3	Very high	22 Å²	22	77.6 Å²	77.6	11%	0.113	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.3	-170.8	-62.7	168.8	0	0	0	111.7	V256 R266 E280 L281 V282 F283	I254-V256 PolarHBondContact O-N 3.15Å; I254-R266 VanDerWaalsContact CD1-NH2 3.32Å; I254-R266 HydrophobicContact CG2-CB 4.36Å; I254-R266 HydrophobicContact CG2-CG 3.96Å; I254-E280 HydrophobicContact CD1-CB 3.96Å; I254-E280 HydrophobicContact CD1-CG 3.79Å; I254-E280 WeakPolarHBondContact CD1-OE1 3.41Å; I254-E280 VanDerWaalsContact CD1-OE2 3.3Å; I254-E280 WeakPolarHBondContact CD1-OE2 3.34Å; I254-L281 PolarHBondContact N-O 3.19Å; I254-V282 WeakPolarHBondContact O-CA 3.1Å; I254-F283 WeakPolarHBondContact O-CD1 3.28Å; I254-F283 PolarHBondContact O-N 2.83Å
255	Q	96.7	Very high	94.2	Very high	37 Å²	37	78.8 Å²	78.8	17%	0.173	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.5	171.6	-162.6	171.3	19.5	0	0	110.9	K267 F283 H284	Q255-K267 HydrophobicContact CB-CB 4.31Å; Q255-K267 HydrophobicContact CB-CD 4.31Å; Q255-K267 HydrophobicContact CG-CB 4.3Å; Q255-K267 HydrophobicContact CG-CD 3.73Å; Q255-K267 VanDerWaalsContact O-CB 3.24Å; Q255-K267 WeakPolarHBondContact O-CB 3.44Å; Q255-K267 PolarHBondContact O-N 3.36Å; Q255-K267 VanDerWaalsContact OE1-CD 3.24Å; Q255-F283 CarbonylContact C-O 3.52Å; Q255-F283 VanDerWaalsContact CA-O 3.29Å; Q255-F283 WeakPolarHBondContact CA-O 3.38Å; Q255-F283 HydrophobicContact CB-CD2 4.19Å; Q255-F283 HydrophobicContact CB-CE1 4.29Å; Q255-F283 HydrophobicContact CB-CE2 3.58Å; Q255-F283 HydrophobicContact CB-CZ 3.64Å; Q255-F283 HydrophobicContact CG-CD2 4.02Å; Q255-F283 HydrophobicContact CG-CE2 3.67Å; Q255-F283 HydrophobicContact CG-CZ 4.27Å; Q255-H284 PolarHBondContact NE2-O 3.02Å
256	V	96.7	Very high	94	Very high	1 Å²	1	79.9 Å²	79.9	1%	0.006	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-102.9	164.6	177.4	-62.3	0	0	0	0	112.7	V197 I254 L264 R265 I276 V282 F283 H284	V197-V256 HydrophobicContact CG2-CG2 3.65Å; I254-V256 PolarHBondContact O-N 3.15Å; V256-L264 HydrophobicContact CG1-CB 4.42Å; V256-L264 HydrophobicContact CG2-CD2 4.12Å; V256-R265 VanDerWaalsContact CA-O 3.26Å; V256-R265 WeakPolarHBondContact CA-O 3.42Å; V256-R265 WeakPolarHBondContact CB-O 3.2Å; V256-I276 HydrophobicContact CG1-CD1 3.73Å; V256-V282 HydrophobicContact CG1-CB 3.82Å; V256-V282 HydrophobicContact CG1-CG1 3.85Å; V256-V282 HydrophobicContact CG2-CB 4.5Å; V256-F283 WeakPolarHBondContact CG2-O 3.46Å; V256-F283 PolarHBondContact N-O 2.99Å; V256-H284 HydrophobicContact CG2-CB 4.19Å
257	T	93.3	Very high	93.8	Very high	28 Å²	28	83 Å²	83	17%	0.172	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-67	135	177.1	58.3	0	0	0	0	111.9	R259 R265	T257-R259 PolarHBondContact O-N 3.09Å; T257-R265 HydrophobicContact CG2-CB 4.41Å; T257-R265 PolarHBondContact N-O 3.04Å
258	K	90.5	Very high	93.6	Very high	129 Å²	129	82.8 Å²	82.8	56%	0.561	36%	0.357	S	S	*	.	S	Bend	trans	-70.4	-12.5	176.5	-59.1	-167.4	-175.4	-163.5	0	115	A193 H284 N285	A193-K258 VanDerWaalsContact CB-O 3.27Å; A193-K258 WeakPolarHBondContact CB-O 3.41Å; K258-H284 HydrophobicContact CG-CB 4.46Å; K258-N285 WeakPolarHBondContact CE-OD1 3.39Å; K258-N285 PolarHBondContact NZ-OD1 3.18Å
259	R	88	Confident	93.3	Very high	235 Å²	235	90.8 Å²	90.8	89%	0.887	39%	0.387	S	S	*	.	S	Bend	trans	-129.9	69	-178.7	-64.5	-175.6	-179.4	174.6	-0.4	110.9	T257	T257-R259 PolarHBondContact O-N 3.09Å
260	P	85.8	Confident	93.1	Very high	12 Å²	12	100 Å²	100	8%	0.078	42%	0.424	C	S	.	.			trans	-72.6	137.6	176.4	31.2	-32.5	0	0	0	110.2	W187 A193 L196 K263 L264	W187-P260 HydrophobicContact CH2-CG 4.03Å; W187-P260 HydrophobicContact CZ3-CG 4.23Å; A193-P260 HydrophobicContact CB-CG 3.77Å; L196-P260 HydrophobicContact CD1-CB 4.13Å; L196-P260 HydrophobicContact CD1-CG 3.83Å; P260-K263 WeakPolarHBondContact CB-O 3.46Å; P260-L264 HydrophobicContact CB-CD2 4.3Å; P260-L264 HydrophobicContact CG-CD2 4.19Å
261	K	83.4	Confident	92.9	Very high	200 Å²	200	99.1 Å²	99.1	87%	0.87	42%	0.417	S	S	*	.	S	Bend	trans	-75.3	-48.1	175.3	-69.1	-171.3	175.6	-171.9	0	112.6
262	R	87.4	Confident	92.7	Very high	224 Å²	224	94 Å²	94	85%	0.845	40%	0.398	S	S	*	.	S	Bend	trans	-140.7	-42.2	-177.2	-74.1	-173.4	174.1	179.4	-1.7	112.5
263	K	91.2	Very high	92.5	Very high	145 Å²	145	102.3 Å²	102.3	63%	0.63	43%	0.431	S	S	*	.	S	Bend	trans	-124.2	151.3	178.5	64.2	-179	-178.4	179.2	0	110.7	P260	P260-K263 WeakPolarHBondContact CB-O 3.46Å
264	L	94.8	Very high	92.4	Very high	23 Å²	23	104.9 Å²	104.9	12%	0.12	44%	0.441	C	S	.	.			trans	-61.1	146	169.8	-65.3	-179.9	0	0	0	110.1	L196 V197 H200 V256 P260 I276 V282	L196-L264 HydrophobicContact CB-CD1 4.28Å; L196-L264 HydrophobicContact CB-CD2 3.68Å; L196-L264 HydrophobicContact CB-CG 3.88Å; L196-L264 HydrophobicContact CD1-CD2 4.25Å; L196-L264 HydrophobicContact CD1-CG 4.48Å; V197-L264 HydrophobicContact CG2-CD1 4.33Å; V197-L264 HydrophobicContact CG2-CD2 4.14Å; H200-L264 HydrophobicContact CB-CD1 4.01Å; V256-L264 HydrophobicContact CG1-CB 4.42Å; V256-L264 HydrophobicContact CG2-CD2 4.12Å; P260-L264 HydrophobicContact CB-CD2 4.3Å; P260-L264 HydrophobicContact CG-CD2 4.19Å; L264-I276 HydrophobicContact CB-CD1 3.54Å; L264-V282 HydrophobicContact CD1-CG2 3.88Å
265	R	95.1	Very high	92.3	Very high	125 Å²	125	108.7 Å²	108.7	47%	0.472	47%	0.467	S	S	.	.			trans	-136.9	149.2	173.5	-64	-173.7	-179.1	-157.4	-0.4	108.6	V256 T257	V256-R265 VanDerWaalsContact CA-O 3.26Å; V256-R265 WeakPolarHBondContact CA-O 3.42Å; V256-R265 WeakPolarHBondContact CB-O 3.2Å; T257-R265 HydrophobicContact CG2-CB 4.41Å; T257-R265 PolarHBondContact N-O 3.04Å
266	R	96	Very high	92.3	Very high	23 Å²	23	108.6 Å²	108.6	9%	0.087	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-56.1	139.5	171.1	-57.3	-173.3	170.3	-148.4	-2.6	109.8	I254 N268 E271 R272 I276 E280	I254-R266 VanDerWaalsContact CD1-NH2 3.32Å; I254-R266 HydrophobicContact CG2-CB 4.36Å; I254-R266 HydrophobicContact CG2-CG 3.96Å; R266-N268 VanDerWaalsContact C-N 3.34Å; R266-E271 HydrophobicContact CB-CB 4.06Å; R266-E271 HydrophobicContact CG-CB 4.39Å; R266-E271 IonicContact CZ-OE1 2.79Å; R266-E271 IonicContact NH1-OE1 3.94Å; R266-E271 PolarHBondContact NH1-OE1 3.12Å; R266-R272 VanDerWaalsContact O-CG 3.25Å; R266-R272 WeakPolarHBondContact O-CG 3.45Å; R266-I276 HydrophobicContact CG-CG1 4.41Å; R266-E280 IonicContact CZ-OE1 3.94Å; R266-E280 IonicContact NH2-OE1 3.29Å; R266-E280 PolarHBondContact NH2-OE1 3.28Å; R266-E280 IonicContact NH2-OE2 3.67Å; R266-E280 PolarHBondContact NH2-OE2 3.46Å; R266-E280 VanDerWaalsContact NH2-OE2 3.09Å
267	K	94.6	Very high	92.2	Very high	88 Å²	88	116.1 Å²	116.1	38%	0.383	50%	0.495	S	S	.	.	S	Bend	trans	-63	-42.7	-179	178.3	179.2	171.6	-176.8	0	111.4	Q255 R269 R272	Q255-K267 HydrophobicContact CB-CB 4.31Å; Q255-K267 HydrophobicContact CB-CD 4.31Å; Q255-K267 HydrophobicContact CG-CB 4.3Å; Q255-K267 HydrophobicContact CG-CD 3.73Å; Q255-K267 VanDerWaalsContact O-CB 3.24Å; Q255-K267 WeakPolarHBondContact O-CB 3.44Å; Q255-K267 PolarHBondContact O-N 3.36Å; Q255-K267 VanDerWaalsContact OE1-CD 3.24Å; K267-R269 PolarHBondContact O-N 3.3Å; K267-R272 PolarHBondContact O-NH2 2.95Å
268	N	93.2	Very high	92.3	Very high	73 Å²	73	119 Å²	119	39%	0.39	51%	0.507	S	S	.	.	S	Bend	trans	-59.5	126	178.7	-175.2	-5.4	0	0	0	110.9	R266 Y270 E271 R272	R266-N268 VanDerWaalsContact C-N 3.34Å; N268-Y270 VanDerWaalsContact C-N 3.3Å; N268-Y270 PolarHBondContact O-N 3.21Å; N268-Y270 WeakPolarHBondContact OD1-CD2 3.49Å; N268-Y270 PolarHBondContact OD1-N 3.03Å; N268-E271 HydrophobicContact CB-CB 4.34Å; N268-E271 HydrophobicContact CB-CG 4.24Å; N268-E271 WeakPolarHBondContact CB-OE2 3.37Å; N268-E271 PolarHBondContact ND2-OE2 3.2Å; N268-E271 PolarHBondContact O-N 3.38Å; N268-R272 WeakPolarHBondContact O-CG 3.22Å; N268-R272 PolarHBondContact O-N 3.15Å
269	R	91.9	Very high	92.6	Very high	190 Å²	190	114.9 Å²	114.9	72%	0.717	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-58.7	-40.7	-174.8	-174.2	178.4	-179.8	178.7	-0.5	112.2	K267 E271 R272	K267-R269 PolarHBondContact O-N 3.3Å; R269-E271 VanDerWaalsContact C-N 3.29Å; R269-E271 PolarHBondContact O-N 3.13Å; R269-R272 PolarHBondContact O-N 2.97Å
270	Y	93.6	Very high	93	Very high	206 Å²	206	104.6 Å²	104.6	81%	0.808	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-69.4	-27.6	-177.1	-56.6	-69.2	0	0	0	112.6	N268	N268-Y270 VanDerWaalsContact C-N 3.3Å; N268-Y270 PolarHBondContact O-N 3.21Å; N268-Y270 WeakPolarHBondContact OD1-CD2 3.49Å; N268-Y270 PolarHBondContact OD1-N 3.03Å
271	E	93.4	Very high	93.6	Very high	60 Å²	60	104 Å²	104	28%	0.28	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-98.8	-0.2	-176.6	-55.4	177.7	88	0	0	113.5	R266 N268 R269 K273 I274	R266-E271 HydrophobicContact CB-CB 4.06Å; R266-E271 HydrophobicContact CG-CB 4.39Å; R266-E271 IonicContact CZ-OE1 2.79Å; R266-E271 IonicContact NH1-OE1 3.94Å; R266-E271 PolarHBondContact NH1-OE1 3.12Å; N268-E271 HydrophobicContact CB-CB 4.34Å; N268-E271 HydrophobicContact CB-CG 4.24Å; N268-E271 WeakPolarHBondContact CB-OE2 3.37Å; N268-E271 PolarHBondContact ND2-OE2 3.2Å; N268-E271 PolarHBondContact O-N 3.38Å; R269-E271 VanDerWaalsContact C-N 3.29Å; R269-E271 PolarHBondContact O-N 3.13Å; E271-K273 PolarHBondContact O-N 3.36Å; E271-I274 HydrophobicContact CB-CD1 4.04Å; E271-I274 HydrophobicContact CB-CG1 4.5Å; E271-I274 HydrophobicContact CG-CD1 4.19Å; E271-I274 WeakPolarHBondContact O-CB 3.38Å; E271-I274 PolarHBondContact O-N 3.5Å
272	R	91.7	Very high	94.3	Very high	105 Å²	105	94.5 Å²	94.5	40%	0.396	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.3	-177	-80.1	172.9	-168.7	168.9	6.7	114.6	R266 K267 N268 R269	R266-R272 VanDerWaalsContact O-CG 3.25Å; R266-R272 WeakPolarHBondContact O-CG 3.45Å; K267-R272 PolarHBondContact O-NH2 2.95Å; N268-R272 WeakPolarHBondContact O-CG 3.22Å; N268-R272 PolarHBondContact O-N 3.15Å; R269-R272 PolarHBondContact O-N 2.97Å
273	K	91.8	Very high	94.8	Very high	201 Å²	201	84.8 Å²	84.8	87%	0.874	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-21.4	176.6	-66.7	-175.3	-180	-179.3	0	112.4	E271 P275	E271-K273 PolarHBondContact O-N 3.36Å; K273-P275 WeakPolarHBondContact O-CD 3.25Å
274	I	94.6	Very high	95	Very high	76 Å²	76	78.9 Å²	78.9	39%	0.39	35%	0.349	S	S	.	.	S	Bend	trans	-74.5	121.9	179.5	-54.8	177.9	0	0	0	108.5	E271	E271-I274 HydrophobicContact CB-CD1 4.04Å; E271-I274 HydrophobicContact CB-CG1 4.5Å; E271-I274 HydrophobicContact CG-CD1 4.19Å; E271-I274 WeakPolarHBondContact O-CB 3.38Å; E271-I274 PolarHBondContact O-N 3.5Å
275	P	94.2	Very high	95	Very high	102 Å²	102	79.7 Å²	79.7	66%	0.662	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-61.9	146	175.9	-21.5	33.5	0	0	0	111.9	K273	K273-P275 WeakPolarHBondContact O-CD 3.25Å
276	I	96.2	Very high	95	Very high	34 Å²	34	83.1 Å²	83.1	17%	0.174	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-79.6	126.6	172.2	-57.9	167.6	0	0	0	107.5	H200 V256 L264 R266 E280 V282	H200-I276 WeakPolarHBondContact CE1-CG2 3.31Å; V256-I276 HydrophobicContact CG1-CD1 3.73Å; L264-I276 HydrophobicContact CB-CD1 3.54Å; R266-I276 HydrophobicContact CG-CG1 4.41Å; I276-E280 WeakPolarHBondContact CA-OE2 3.38Å; I276-E280 HydrophobicContact CG2-CB 4.26Å; I276-V282 HydrophobicContact CD1-CG1 4.27Å; I276-V282 HydrophobicContact CG2-CG1 3.57Å
277	R	96.1	Very high	94.9	Very high	160 Å²	160	84 Å²	84	60%	0.604	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-85.5	161	-176.4	-57.4	177	176.7	-174.3	-0.8	111.2	H200 S279 E280	H200-R277 PolarHBondContact CE1-O 3.11Å; R277-S279 PolarHBondContact O-N 3.16Å; R277-E280 HydrophobicContact CB-CG 4Å; R277-E280 PolarHBondContact N-OE2 2.87Å; R277-E280 PolarHBondContact O-N 3.26Å
278	H	94.1	Very high	94.8	Very high	89 Å²	89	82 Å²	82	41%	0.412	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.6	172.6	-66.6	-64.9	0	0	0	113.6	K207	K207-H278 HydrophobicContact CB-CB 4.35Å; K207-H278 HydrophobicContact CG-CB 4.13Å
279	S	96.5	Very high	94.9	Very high	42 Å²	42	83.4 Å²	83.4	29%	0.294	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	16.9	173	66.1	0	0	0	0	113	Y248 S252 R277	Y248-S279 WeakPolarHBondContact CD1-O 3.2Å; S252-S279 PolarHBondContact OG-O 2.97Å; R277-S279 PolarHBondContact O-N 3.16Å
280	E	98	Very high	95	Very high	18 Å²	18	75.7 Å²	75.7	8%	0.084	35%	0.351	C	S	.	.			trans	-124.3	122.1	-177.9	-67.7	175.7	157.2	0	0	109.1	H200 V204 S252 I254 R266 I276 R277	H200-E280 PolarHBondContact NE2-O 3.5Å; V204-E280 WeakPolarHBondContact CG2-O 3.4Å; S252-E280 WeakPolarHBondContact O-CA 3.49Å; S252-E280 WeakPolarHBondContact O-CB 3.26Å; I254-E280 HydrophobicContact CD1-CB 3.96Å; I254-E280 HydrophobicContact CD1-CG 3.79Å; I254-E280 WeakPolarHBondContact CD1-OE1 3.41Å; I254-E280 VanDerWaalsContact CD1-OE2 3.3Å; I254-E280 WeakPolarHBondContact CD1-OE2 3.34Å; R266-E280 IonicContact CZ-OE1 3.94Å; R266-E280 IonicContact NH2-OE1 3.29Å; R266-E280 PolarHBondContact NH2-OE1 3.28Å; R266-E280 IonicContact NH2-OE2 3.67Å; R266-E280 PolarHBondContact NH2-OE2 3.46Å; R266-E280 VanDerWaalsContact NH2-OE2 3.09Å; I276-E280 WeakPolarHBondContact CA-OE2 3.38Å; I276-E280 HydrophobicContact CG2-CB 4.26Å; R277-E280 HydrophobicContact CB-CG 4Å; R277-E280 PolarHBondContact N-OE2 2.87Å; R277-E280 PolarHBondContact O-N 3.26Å
281	L	98.4	Very high	95.1	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.317	C	S	.	.			trans	-77.4	147	169	-70.3	174.8	0	0	0	109.5	A108 F109 A112 V204 S252 A253 I254	A108-L281 HydrophobicContact CB-CB 4.22Å; F109-L281 HydrophobicContact CB-CD1 4.45Å; A112-L281 HydrophobicContact CB-CD2 3.63Å; V204-L281 HydrophobicContact CB-CD2 4.15Å; V204-L281 HydrophobicContact CG1-CD2 3.75Å; V204-L281 HydrophobicContact CG1-CG 4.49Å; V204-L281 HydrophobicContact CG2-CD2 4.46Å; S252-L281 PolarHBondContact O-N 3.45Å; A253-L281 CarbonylContact C-O 3.54Å; A253-L281 VanDerWaalsContact CA-O 3.32Å; A253-L281 WeakPolarHBondContact CA-O 3.2Å; A253-L281 HydrophobicContact CB-CB 4.42Å; I254-L281 PolarHBondContact N-O 3.19Å
282	V	98.1	Very high	95.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.1	-179.6	-60.2	0	0	0	0	112.4	A108 V197 H200 N201 I254 V256 L264 I276	A108-V282 VanDerWaalsContact CB-O 3.22Å; A108-V282 WeakPolarHBondContact CB-O 3.31Å; V197-V282 HydrophobicContact CB-CG2 4.47Å; V197-V282 HydrophobicContact CG1-CG2 4.16Å; V197-V282 WeakPolarHBondContact CG1-O 3.44Å; V197-V282 HydrophobicContact CG2-CG2 4.47Å; H200-V282 HydrophobicContact CB-CG2 3.75Å; H200-V282 WeakPolarHBondContact CD2-CG2 3.28Å; N201-V282 PolarHBondContact ND2-O 2.83Å; N201-V282 PolarHBondContact OD1-N 2.89Å; N201-V282 PolarHBondContact OD1-O 2.92Å; I254-V282 WeakPolarHBondContact O-CA 3.1Å; V256-V282 HydrophobicContact CG1-CB 3.82Å; V256-V282 HydrophobicContact CG1-CG1 3.85Å; V256-V282 HydrophobicContact CG2-CB 4.5Å; L264-V282 HydrophobicContact CD1-CG2 3.88Å; I276-V282 HydrophobicContact CD1-CG1 4.27Å; I276-V282 HydrophobicContact CG2-CG1 3.57Å
283	F	97.6	Very high	95.2	Very high	20 Å²	20	70.3 Å²	70.3	9%	0.088	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.7	178	66.6	-87.7	0	0	0	110	S104 R105 A253 I254 Q255 V256 N285	S104-F283 VanDerWaalsContact O-CB 3.27Å; S104-F283 WeakPolarHBondContact O-CB 3.41Å; R105-F283 HydrophobicContact CB-CD1 4.43Å; R105-F283 HydrophobicContact CG-CD1 3.41Å; R105-F283 VanDerWaalsContact CG-CD1 3.41Å; R105-F283 HydrophobicContact CG-CD2 4.09Å; R105-F283 HydrophobicContact CG-CE1 3.39Å; R105-F283 HydrophobicContact CG-CE2 4.07Å; R105-F283 HydrophobicContact CG-CG 3.75Å; R105-F283 HydrophobicContact CG-CZ 3.72Å; A253-F283 HydrophobicContact CB-CD1 4.28Å; A253-F283 HydrophobicContact CB-CE1 4.13Å; I254-F283 WeakPolarHBondContact O-CD1 3.28Å; I254-F283 PolarHBondContact O-N 2.83Å; Q255-F283 CarbonylContact C-O 3.52Å; Q255-F283 VanDerWaalsContact CA-O 3.29Å; Q255-F283 WeakPolarHBondContact CA-O 3.38Å; Q255-F283 HydrophobicContact CB-CD2 4.19Å; Q255-F283 HydrophobicContact CB-CE1 4.29Å; Q255-F283 HydrophobicContact CB-CE2 3.58Å; Q255-F283 HydrophobicContact CB-CZ 3.64Å; Q255-F283 HydrophobicContact CG-CD2 4.02Å; Q255-F283 HydrophobicContact CG-CE2 3.67Å; Q255-F283 HydrophobicContact CG-CZ 4.27Å; V256-F283 WeakPolarHBondContact CG2-O 3.46Å; V256-F283 PolarHBondContact N-O 2.99Å; F283-N285 WeakPolarHBondContact CD2-O 3.48Å
284	H	95	Very high	95.1	Very high	22 Å²	22	63.6 Å²	63.6	10%	0.102	31%	0.312	C	S	.	.	S	Bend	trans	-119.1	-22.1	-177.6	64.9	-88.1	0	0	0	113.7	G103 V197 Q255 V256 K258	G103-H284 VanDerWaalsContact CA-CE1 3.4Å; G103-H284 WeakPolarHBondContact CA-CE1 3.43Å; G103-H284 PolarHBondContact O-N 3.27Å; V197-H284 HydrophobicContact CG2-CB 4.37Å; Q255-H284 PolarHBondContact NE2-O 3.02Å; V256-H284 HydrophobicContact CG2-CB 4.19Å; K258-H284 HydrophobicContact CG-CB 4.46Å
285	N	95	Very high	94.6	Very high	40 Å²	40	64.6 Å²	64.6	21%	0.214	32%	0.315	C	S	.	.	S	Bend	trans	-113.3	150	176.3	-64.9	-33.7	0	0	0	111.3	S102 G103 K258 F283	S102-N285 WeakPolarHBondContact O-CB 3.39Å; S102-N285 PolarHBondContact O-ND2 3.18Å; G103-N285 PolarHBondContact O-N 3.21Å; K258-N285 WeakPolarHBondContact CE-OD1 3.39Å; K258-N285 PolarHBondContact NZ-OD1 3.18Å; F283-N285 WeakPolarHBondContact CD2-O 3.48Å
286	R	94.5	Very high	93.9	Very high	197 Å²	197	70.6 Å²	70.6	74%	0.743	32%	0.324	S	S	*	.			trans	-70.7	144.6	173.9	-69.5	-178.2	172.7	174.4	-3	109
287	S	94.5	Very high	93.1	Very high	42 Å²	42	72.3 Å²	72.3	29%	0.294	33%	0.333	S	S	.	.			trans	-58.7	140.5	173.5	-50.9	0	0	0	0	110.4	E106	E106-S287 VanDerWaalsContact OE1-CB 3.31Å; E106-S287 WeakPolarHBondContact OE1-CB 3.45Å; E106-S287 PolarHBondContact OE1-OG 3.08Å; E106-S287 WeakPolarHBondContact OE2-CB 3.44Å; E106-S287 PolarHBondContact OE2-OG 3.09Å
288	P	93.5	Very high	92.4	Very high	46 Å²	46	65 Å²	65	30%	0.299	31%	0.308	S	S	.	.			trans	-69.4	175.4	175.5	31.4	-36.4	0	0	0	111.6	Y290 I297 T299	P288-Y290 HydrophobicContact CG-CD1 4.46Å; P288-Y290 HydrophobicContact CG-CE1 3.82Å; P288-Y290 HydrophobicContact CG-CE2 4.3Å; P288-Y290 PolarHBondContact O-N 3.13Å; P288-I297 HydrophobicContact CB-CD1 3.75Å; P288-I297 HydrophobicContact CG-CD1 4.32Å; P288-T299 HydrophobicContact CG-CG2 4.33Å
289	N	93.6	Very high	92.1	Very high	101 Å²	101	61.1 Å²	61.1	54%	0.54	29%	0.29	S	S	.	.			trans	-76.2	115.6	169.7	-174.9	-3.5	0	0	0	110	C291	N289-C291 WeakPolarHBondContact OD1-CB 3.24Å; N289-C291 PolarHBondContact OD1-N 3.37Å; N289-C291 PolarHBondContact OD1-SG 3.18Å; N289-C291 VanDerWaalsContact OD1-SG 3.34Å
290	Y	95.2	Very high	91.8	Very high	28 Å²	28	62.7 Å²	62.7	11%	0.11	30%	0.295	C	S	.	.			trans	-90.3	-1.2	178.6	-65.7	-68.8	0	0	0	114.5	W80 E106 P288 T299 G301	W80-Y290 HydrophobicContact CB-CD1 3.8Å; W80-Y290 HydrophobicContact CB-CD2 3.82Å; W80-Y290 HydrophobicContact CB-CE1 3.84Å; W80-Y290 HydrophobicContact CB-CE2 3.84Å; W80-Y290 HydrophobicContact CB-CG 3.8Å; W80-Y290 AromaticContact CD1-CD1 3.89Å; W80-Y290 AromaticContact CD1-CE1 3.42Å; W80-Y290 VanDerWaalsContact CD1-CE1 3.42Å; W80-Y290 AromaticContact CD1-CZ 3.9Å; W80-Y290 HydrophobicContact CG-CD1 4.19Å; W80-Y290 AromaticContact CG-CE1 3.82Å; W80-Y290 HydrophobicContact CG-CE1 3.82Å; W80-Y290 HydrophobicContact CG-CE2 4.36Å; W80-Y290 AromaticContact CG-CZ 3.91Å; E106-Y290 HydrophobicContact CG-CE2 4.21Å; E106-Y290 WeakPolarHBondContact CG-OH 3.19Å; E106-Y290 PolarHBondContact OE2-OH 2.81Å; E106-Y290 VanDerWaalsContact OE2-OH 3.12Å; P288-Y290 HydrophobicContact CG-CD1 4.46Å; P288-Y290 HydrophobicContact CG-CE1 3.82Å; P288-Y290 HydrophobicContact CG-CE2 4.3Å; P288-Y290 PolarHBondContact O-N 3.13Å; Y290-T299 HydrophobicContact CD1-CG2 3.66Å; Y290-T299 HydrophobicContact CE1-CG2 3.91Å; Y290-G301 WeakPolarHBondContact O-CA 3.45Å
291	C	95.9	Very high	91.6	Very high	13 Å²	13	62.3 Å²	62.3	9%	0.088	30%	0.297	C	S	.	.	S	Bend	trans	-71.3	-42.4	-179	-65	0	0	0	0	112.7	N289 G301 T302 C322	N289-C291 WeakPolarHBondContact OD1-CB 3.24Å; N289-C291 PolarHBondContact OD1-N 3.37Å; N289-C291 PolarHBondContact OD1-SG 3.18Å; N289-C291 VanDerWaalsContact OD1-SG 3.34Å; C291-G301 VanDerWaalsContact O-CA 3.25Å; C291-G301 WeakPolarHBondContact O-CA 3.25Å; C291-T302 PolarHBondContact O-N 3.05Å; C291-C322 HydrophobicContact CB-CB 3.65Å; C291-C322 WeakPolarHBondContact CB-SG 3.34Å; C291-C322 WeakPolarHBondContact SG-CB 3.48Å; C291-C322 CovalentContact SG-SG 2.02Å; C291-C322 PolarHBondContact SG-SG 3.38Å
292	V	94	Very high	91.5	Very high	90 Å²	90	62.3 Å²	62.3	55%	0.545	30%	0.297	S	S	.	.	S	Bend	trans	-99.1	140.9	-175.5	-176.9	0	0	0	0	108.8	D294 T299	V292-D294 PolarHBondContact O-N 3.1Å; V292-T299 PolarHBondContact O-OG1 3.32Å
293	R	92.3	Very high	91.4	Very high	155 Å²	155	68.6 Å²	68.6	59%	0.585	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	124.7	173.2	-178.2	176.5	174.6	140.2	-4.5	109.4	E295 T299	R293-E295 IonicContact CZ-OE1 2.67Å; R293-E295 IonicContact NE-OE1 3.7Å; R293-E295 PolarHBondContact NE-OE1 3.38Å; R293-E295 IonicContact NH2-OE1 3.29Å; R293-E295 PolarHBondContact NH2-OE1 2.01Å; R293-T299 WeakPolarHBondContact CA-O 3.41Å; R293-T299 WeakPolarHBondContact CG-O 3.43Å
294	D	89.5	Confident	91.3	Very high	61 Å²	61	69.9 Å²	69.9	33%	0.326	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	108	171.7	-177.3	-11.7	0	0	0	108.8	V292 R296 I297 G298 T299	V292-D294 PolarHBondContact O-N 3.1Å; D294-R296 VanDerWaalsContact C-N 3.25Å; D294-R296 PolarHBondContact O-N 3.04Å; D294-R296 VanDerWaalsContact OD1-CB 3.27Å; D294-R296 WeakPolarHBondContact OD1-CB 3.29Å; D294-R296 WeakPolarHBondContact OD1-CG 3.47Å; D294-R296 PolarHBondContact OD1-N 3.11Å; D294-I297 HydrophobicContact CB-CD1 4.06Å; D294-I297 HydrophobicContact CB-CG1 3.68Å; D294-I297 PolarHBondContact O-N 3.02Å; D294-G298 PolarHBondContact O-N 3.03Å; D294-G298 VanDerWaalsContact O-N 3.09Å; D294-T299 WeakPolarHBondContact CA-OG1 2.88Å; D294-T299 WeakPolarHBondContact CB-OG1 3.4Å; D294-T299 PolarHBondContact N-O 3.25Å; D294-T299 PolarHBondContact N-OG1 2.89Å; D294-T299 PolarHBondContact O-N 3.38Å; D294-T299 PolarHBondContact O-OG1 3.25Å
295	E	84	Confident	91.3	Very high	97 Å²	97	70.5 Å²	70.5	45%	0.453	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.3	-177.3	-60.5	-171.4	164.1	0	0	112.8	T87 R293 I297 G298	T87-E295 WeakPolarHBondContact CG2-O 3.27Å; R293-E295 IonicContact CZ-OE1 2.67Å; R293-E295 IonicContact NE-OE1 3.7Å; R293-E295 PolarHBondContact NE-OE1 3.38Å; R293-E295 IonicContact NH2-OE1 3.29Å; R293-E295 PolarHBondContact NH2-OE1 2.01Å; E295-I297 VanDerWaalsContact C-N 3.33Å; E295-I297 PolarHBondContact O-N 3.4Å; E295-G298 PolarHBondContact O-N 2.86Å
296	R	80.7	Confident	91.4	Very high	227 Å²	227	74.7 Å²	74.7	86%	0.857	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-34.9	-178.9	-56.2	176.6	-175.1	179.9	2.2	111.7	D294	D294-R296 VanDerWaalsContact C-N 3.25Å; D294-R296 PolarHBondContact O-N 3.04Å; D294-R296 VanDerWaalsContact OD1-CB 3.27Å; D294-R296 WeakPolarHBondContact OD1-CB 3.29Å; D294-R296 WeakPolarHBondContact OD1-CG 3.47Å; D294-R296 PolarHBondContact OD1-N 3.11Å
297	I	79.1	Confident	91.5	Very high	70 Å²	70	66 Å²	66	36%	0.359	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.8	177.8	58.9	164.7	0	0	0	112.5	T98 P288 D294 E295 T299	T98-I297 WeakPolarHBondContact CG2-O 3.4Å; P288-I297 HydrophobicContact CB-CD1 3.75Å; P288-I297 HydrophobicContact CG-CD1 4.32Å; D294-I297 HydrophobicContact CB-CD1 4.06Å; D294-I297 HydrophobicContact CB-CG1 3.68Å; D294-I297 PolarHBondContact O-N 3.02Å; E295-I297 VanDerWaalsContact C-N 3.33Å; E295-I297 PolarHBondContact O-N 3.4Å; I297-T299 HydrophobicContact CD1-CG2 3.57Å; I297-T299 HydrophobicContact CG1-CG2 3.79Å
298	G	81	Confident	91.5	Very high	8 Å²	8	66.9 Å²	66.9	8%	0.082	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	36	176.5	0	0	0	0	0	113.9	V85 D294 E295	V85-G298 VanDerWaalsContact CG2-O 3.27Å; V85-G298 WeakPolarHBondContact CG2-O 3.24Å; D294-G298 PolarHBondContact O-N 3.03Å; D294-G298 VanDerWaalsContact O-N 3.09Å; E295-G298 PolarHBondContact O-N 2.86Å
299	T	87.2	Confident	91.6	Very high	6 Å²	6	71.1 Å²	71.1	4%	0.037	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.6	175.7	58.6	0	0	0	0	110.4	P288 Y290 V292 R293 D294 I297	P288-T299 HydrophobicContact CG-CG2 4.33Å; Y290-T299 HydrophobicContact CD1-CG2 3.66Å; Y290-T299 HydrophobicContact CE1-CG2 3.91Å; V292-T299 PolarHBondContact O-OG1 3.32Å; R293-T299 WeakPolarHBondContact CA-O 3.41Å; R293-T299 WeakPolarHBondContact CG-O 3.43Å; D294-T299 WeakPolarHBondContact CA-OG1 2.88Å; D294-T299 WeakPolarHBondContact CB-OG1 3.4Å; D294-T299 PolarHBondContact N-O 3.25Å; D294-T299 PolarHBondContact N-OG1 2.89Å; D294-T299 PolarHBondContact O-N 3.38Å; D294-T299 PolarHBondContact O-OG1 3.25Å; I297-T299 HydrophobicContact CD1-CG2 3.57Å; I297-T299 HydrophobicContact CG1-CG2 3.79Å
300	L	90.7	Very high	91.6	Very high	75 Å²	75	71.5 Å²	71.5	39%	0.393	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-15.6	-177.9	-65.5	175.2	0	0	0	113.6	T83 V85	T83-L300 HydrophobicContact CG2-CD1 4.01Å; V85-L300 HydrophobicContact CB-CD2 4.48Å; V85-L300 HydrophobicContact CG1-CD2 4.04Å; V85-L300 HydrophobicContact CG2-CD1 3.93Å; V85-L300 HydrophobicContact CG2-CD2 3.68Å; V85-L300 HydrophobicContact CG2-CG 3.53Å
301	G	93.9	Very high	91.6	Very high	11 Å²	11	71.6 Å²	71.6	11%	0.113	36%	0.355	C	S	.	.			trans	72.9	179.4	-167.1	0	0	0	0	0	112.8	Y290 C291	Y290-G301 WeakPolarHBondContact O-CA 3.45Å; C291-G301 VanDerWaalsContact O-CA 3.25Å; C291-G301 WeakPolarHBondContact O-CA 3.25Å
302	T	96.4	Very high	91.4	Very high	0 Å²	0	80.7 Å²	80.7	0%	0	39%	0.394	C	S	.	.	S	Bend	trans	-110.6	2.3	179.3	61.7	0	0	0	0	114.6	R79 C291 G304 R305 L320 R324 C361	R79-T302 HydrophobicContact CB-CG2 3.94Å; R79-T302 HydrophobicContact CG-CG2 4.06Å; C291-T302 PolarHBondContact O-N 3.05Å; T302-G304 PolarHBondContact O-N 3.1Å; T302-R305 WeakPolarHBondContact O-CB 3.48Å; T302-R305 WeakPolarHBondContact O-CG 2.97Å; T302-R305 PolarHBondContact O-N 2.92Å; T302-L320 WeakPolarHBondContact CB-O 3.03Å; T302-L320 HydrophobicContact CG2-CD1 4.42Å; T302-L320 WeakPolarHBondContact CG2-O 3.06Å; T302-L320 PolarHBondContact OG1-O 3.32Å; T302-R324 PolarHBondContact OG1-NH2 3.38Å; T302-C361 VanDerWaalsContact O-CB 3.22Å; T302-C361 WeakPolarHBondContact O-CB 3.43Å
303	H	95.8	Very high	91.4	Very high	131 Å²	131	77.9 Å²	77.9	61%	0.606	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	135.7	176.7	-178.1	-73.8	0	0	0	111.2	R305 R324 K362	H303-R305 PolarHBondContact O-N 3.19Å; H303-R324 VanDerWaalsContact N-NH2 3.18Å; H303-K362 PolarHBondContact CD2-OXT 3.34Å; H303-K362 PolarHBondContact NE2-OXT 3.21Å
304	G	95.5	Very high	91.4	Very high	47 Å²	47	73.7 Å²	73.7	49%	0.485	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	2.4	178.6	0	0	0	0	0	115.3	T302 C361	T302-G304 PolarHBondContact O-N 3.1Å; G304-C361 WeakPolarHBondContact CA-O 3.41Å; G304-C361 PolarHBondContact N-O 3.46Å
305	R	95.8	Very high	91.7	Very high	36 Å²	36	72 Å²	72	14%	0.136	37%	0.366	C	S	.	.			trans	-76.9	138.9	177.2	-68	-170.5	63	-173.1	-5.6	111.4	R76 E78 R79 T302 H303 L320 T360 C361	R76-R305 PolarHBondContact O-NH2 2.01Å; E78-R305 PolarHBondContact O-NH1 3.21Å; E78-R305 PolarHBondContact O-NH2 3.5Å; R79-R305 VanDerWaalsContact C-NH1 3.34Å; R79-R305 PolarHBondContact O-NH1 3.15Å; T302-R305 WeakPolarHBondContact O-CB 3.48Å; T302-R305 WeakPolarHBondContact O-CG 2.97Å; T302-R305 PolarHBondContact O-N 2.92Å; H303-R305 PolarHBondContact O-N 3.19Å; R305-L320 HydrophobicContact CB-CD2 4.32Å; R305-T360 CarbonylContact O-C 3.47Å; R305-T360 WeakPolarHBondContact O-CA 3.45Å; R305-C361 PolarHBondContact O-N 3.36Å
306	Q	96	Very high	92.3	Very high	128 Å²	128	67.8 Å²	67.8	60%	0.598	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	133	171.5	-68.1	177.6	7	0	0	109.9	L320 M358 H359 T360	Q306-L320 VanDerWaalsContact O-CD2 3.29Å; Q306-L320 WeakPolarHBondContact O-CD2 3.44Å; Q306-M358 HydrophobicContact CG-CG 4.33Å; Q306-M358 HydrophobicContact CG-SD 4.34Å; Q306-M358 PolarHBondContact NE2-SD 3.38Å; Q306-H359 VanDerWaalsContact CA-O 3.3Å; Q306-H359 WeakPolarHBondContact CA-O 3.38Å; Q306-T360 HydrophobicContact CG-CG2 4.1Å
307	C	96.6	Very high	93.1	Very high	14 Å²	14	57.2 Å²	57.2	10%	0.095	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	164.5	177.9	68.3	0	0	0	0	110.8	C317 L320 C321 H359	C307-C317 VanDerWaalsContact C-SG 3.52Å; C307-C317 HydrophobicContact CB-CB 3.84Å; C307-C317 WeakPolarHBondContact CB-SG 3.48Å; C307-C317 VanDerWaalsContact SG-CA 3.51Å; C307-C317 WeakPolarHBondContact SG-CB 3.07Å; C307-C317 CovalentContact SG-SG 2.04Å; C307-C317 PolarHBondContact SG-SG 3.37Å; C307-L320 HydrophobicContact CB-CB 4.43Å; C307-L320 HydrophobicContact CB-CD2 4.01Å; C307-C321 VanDerWaalsContact SG-SG 3.63Å; C307-H359 PolarHBondContact N-O 3.08Å
308	N	96	Very high	93.9	Very high	60 Å²	60	59.7 Å²	59.7	32%	0.321	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-112.4	116.1	179.9	-171.8	-7	0	0	0	110.7	T310 D315 S316 C317	N308-T310 VanDerWaalsContact C-N 3.31Å; N308-T310 PolarHBondContact O-N 3.01Å; N308-T310 PolarHBondContact OD1-N 2.68Å; N308-T310 VanDerWaalsContact OD1-N 3.11Å; N308-T310 PolarHBondContact OD1-OG1 2.99Å; N308-D315 HydrophobicContact CB-CB 4.44Å; N308-D315 VanDerWaalsContact CB-OD2 3.3Å; N308-D315 WeakPolarHBondContact CB-OD2 3.44Å; N308-D315 PolarHBondContact N-O 3.15Å; N308-D315 PolarHBondContact ND2-OD2 2.66Å; N308-S316 VanDerWaalsContact O-CA 3.32Å; N308-S316 WeakPolarHBondContact O-CA 3.46Å; N308-C317 VanDerWaalsContact C-SG 3.57Å; N308-C317 PolarHBondContact O-N 3.38Å
309	R	94.5	Very high	94.5	Very high	136 Å²	136	63.1 Å²	63.1	51%	0.513	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.8	-178.8	-174.8	173.2	70.5	112.7	-7.6	113	Y326 E357 H359	R309-Y326 WeakPolarHBondContact CD-OH 3.04Å; R309-Y326 WeakPolarHBondContact CG-OH 3.43Å; R309-E357 IonicContact NH2-OE2 3.61Å; R309-H359 WeakPolarHBondContact CB-NE2 3.28Å
310	T	93.5	Very high	95	Very high	109 Å²	109	62.9 Å²	62.9	67%	0.669	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-8	-177.5	60.8	0	0	0	0	113.4	N308	N308-T310 VanDerWaalsContact C-N 3.31Å; N308-T310 PolarHBondContact O-N 3.01Å; N308-T310 PolarHBondContact OD1-N 2.68Å; N308-T310 VanDerWaalsContact OD1-N 3.11Å; N308-T310 PolarHBondContact OD1-OG1 2.99Å
311	S	94.7	Very high	95.3	Very high	29 Å²	29	59.3 Å²	59.3	20%	0.203	32%	0.318	C	S	.	.			trans	-81.5	145.5	177.9	-174.8	0	0	0	0	111.4	G313 D315 S316	S311-G313 PolarHBondContact OG-N 2.97Å; S311-D315 VanDerWaalsContact CB-OD1 3.29Å; S311-D315 WeakPolarHBondContact CB-OD1 3.34Å; S311-D315 WeakPolarHBondContact CB-OD2 3.48Å; S311-D315 VanDerWaalsContact OG-CG 3.26Å; S311-D315 PolarHBondContact OG-OD1 3.33Å; S311-D315 PolarHBondContact OG-OD2 3.01Å; S311-S316 WeakPolarHBondContact O-CB 3.31Å
312	F	92.8	Very high	95.4	Very high	204 Å²	204	60.6 Å²	60.6	90%	0.895	32%	0.324	S	S	*	.			trans	-100.5	1.3	167	-58.6	-79.6	0	0	0	112.3
313	G	92.6	Very high	95.4	Very high	31 Å²	31	63.8 Å²	63.8	32%	0.32	36%	0.357	S	S	.	.	S	Bend	trans	-85.6	-166.5	-177.8	0	0	0	0	0	113.8	S311 D315 S316 L319	S311-G313 PolarHBondContact OG-N 2.97Å; G313-D315 PolarHBondContact O-N 3.04Å; G313-S316 WeakPolarHBondContact O-CB 3Å; G313-S316 PolarHBondContact O-N 3.11Å; G313-S316 PolarHBondContact O-OG 3.41Å; G313-L319 WeakPolarHBondContact O-CD1 3.45Å
314	T	93.7	Very high	95.3	Very high	67 Å²	67	62.1 Å²	62.1	41%	0.411	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.7	179.4	48.8	0	0	0	0	113.8	L77 E78 S316	L77-T314 CarbonylContact O-C 3.46Å; L77-T314 VanDerWaalsContact O-C 3.23Å; L77-T314 VanDerWaalsContact O-O 3.08Å; E78-T314 HydrophobicContact CG-CG2 4.16Å; T314-S316 VanDerWaalsContact C-N 3.32Å
315	D	95.3	Very high	95.3	Very high	26 Å²	26	61.3 Å²	61.3	14%	0.139	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.8	172	62.2	-39.2	0	0	0	114	L77 N308 S311 G313 C317	L77-D315 HydrophobicContact CB-CB 3.95Å; L77-D315 HydrophobicContact CD1-CB 4.03Å; L77-D315 HydrophobicContact CD2-CB 3.98Å; L77-D315 HydrophobicContact CG-CB 4.16Å; L77-D315 PolarHBondContact O-N 3.46Å; N308-D315 HydrophobicContact CB-CB 4.44Å; N308-D315 VanDerWaalsContact CB-OD2 3.3Å; N308-D315 WeakPolarHBondContact CB-OD2 3.44Å; N308-D315 PolarHBondContact N-O 3.15Å; N308-D315 PolarHBondContact ND2-OD2 2.66Å; S311-D315 VanDerWaalsContact CB-OD1 3.29Å; S311-D315 WeakPolarHBondContact CB-OD1 3.34Å; S311-D315 WeakPolarHBondContact CB-OD2 3.48Å; S311-D315 VanDerWaalsContact OG-CG 3.26Å; S311-D315 PolarHBondContact OG-OD1 3.33Å; S311-D315 PolarHBondContact OG-OD2 3.01Å; G313-D315 PolarHBondContact O-N 3.04Å; D315-C317 PolarHBondContact O-N 3.5Å
316	S	97	Very high	95.4	Very high	8 Å²	8	62.7 Å²	62.7	6%	0.056	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-56.2	138.9	177	63.3	0	0	0	0	110.8	N308 S311 G313 T314 D318 L319 L320	N308-S316 VanDerWaalsContact O-CA 3.32Å; N308-S316 WeakPolarHBondContact O-CA 3.46Å; S311-S316 WeakPolarHBondContact O-CB 3.31Å; G313-S316 WeakPolarHBondContact O-CB 3Å; G313-S316 PolarHBondContact O-N 3.11Å; G313-S316 PolarHBondContact O-OG 3.41Å; T314-S316 VanDerWaalsContact C-N 3.32Å; S316-D318 PolarHBondContact O-N 2.82Å; S316-L319 PolarHBondContact O-N 3.2Å; S316-L319 VanDerWaalsContact OG-CB 3.27Å; S316-L319 WeakPolarHBondContact OG-CB 3.26Å; S316-L319 WeakPolarHBondContact OG-CD1 3.48Å; S316-L319 VanDerWaalsContact OG-CG 3.3Å; S316-L319 WeakPolarHBondContact OG-CG 3.4Å; S316-L319 PolarHBondContact OG-N 3.28Å; S316-L320 VanDerWaalsContact O-CB 3.29Å; S316-L320 WeakPolarHBondContact O-CB 3.32Å; S316-L320 PolarHBondContact O-N 2.04Å
317	C	97	Very high	95.4	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.034	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-36	-179.7	-68.1	0	0	0	0	112.5	C307 N308 D315 L319 C321 Y326	C307-C317 VanDerWaalsContact C-SG 3.52Å; C307-C317 HydrophobicContact CB-CB 3.84Å; C307-C317 WeakPolarHBondContact CB-SG 3.48Å; C307-C317 VanDerWaalsContact SG-CA 3.51Å; C307-C317 WeakPolarHBondContact SG-CB 3.07Å; C307-C317 CovalentContact SG-SG 2.04Å; C307-C317 PolarHBondContact SG-SG 3.37Å; N308-C317 VanDerWaalsContact C-SG 3.57Å; N308-C317 PolarHBondContact O-N 3.38Å; D315-C317 PolarHBondContact O-N 3.5Å; C317-L319 PolarHBondContact O-N 2.87Å; C317-C321 WeakPolarHBondContact O-CB 3.18Å; C317-C321 PolarHBondContact O-N 3.28Å; C317-C321 PolarHBondContact O-SG 3.27Å; C317-Y326 HydrophobicContact CB-CD1 3.38Å; C317-Y326 HydrophobicContact CB-CE1 3.55Å; C317-Y326 HydrophobicContact CB-CG 4Å
318	D	95.2	Very high	95.4	Very high	122 Å²	122	63.4 Å²	63.4	65%	0.652	35%	0.353	S	S	*	.	H	α-helix	trans	-65.2	-42.6	179.3	-59.5	-32.1	0	0	0	112	S316 C322 G323	S316-D318 PolarHBondContact O-N 2.82Å; D318-C322 PolarHBondContact O-N 3.35Å; D318-G323 PolarHBondContact O-N 3.09Å
319	L	95.4	Very high	95.4	Very high	80 Å²	80	67.3 Å²	67.3	42%	0.419	36%	0.363	S	S	.	.	H	α-helix	trans	-78.8	-48.9	178.9	-66.3	176.9	0	0	0	112.2	R79 G313 S316 C317 C322	R79-L319 VanDerWaalsContact CZ-O 3.24Å; R79-L319 PolarHBondContact NE-O 3.15Å; R79-L319 PolarHBondContact NH2-O 3.06Å; G313-L319 WeakPolarHBondContact O-CD1 3.45Å; S316-L319 PolarHBondContact O-N 3.2Å; S316-L319 VanDerWaalsContact OG-CB 3.27Å; S316-L319 WeakPolarHBondContact OG-CB 3.26Å; S316-L319 WeakPolarHBondContact OG-CD1 3.48Å; S316-L319 VanDerWaalsContact OG-CG 3.3Å; S316-L319 WeakPolarHBondContact OG-CG 3.4Å; S316-L319 PolarHBondContact OG-N 3.28Å; C317-L319 PolarHBondContact O-N 2.87Å; L319-C322 PolarHBondContact O-N 2.96Å
320	L	97	Very high	95.5	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-67	-40.7	-174.6	-170.4	61.7	0	0	0	111.5	R79 T302 R305 Q306 C307 S316 C322	R79-L320 HydrophobicContact CG-CD1 4.25Å; T302-L320 WeakPolarHBondContact CB-O 3.03Å; T302-L320 HydrophobicContact CG2-CD1 4.42Å; T302-L320 WeakPolarHBondContact CG2-O 3.06Å; T302-L320 PolarHBondContact OG1-O 3.32Å; R305-L320 HydrophobicContact CB-CD2 4.32Å; Q306-L320 VanDerWaalsContact O-CD2 3.29Å; Q306-L320 WeakPolarHBondContact O-CD2 3.44Å; C307-L320 HydrophobicContact CB-CB 4.43Å; C307-L320 HydrophobicContact CB-CD2 4.01Å; S316-L320 VanDerWaalsContact O-CB 3.29Å; S316-L320 WeakPolarHBondContact O-CB 3.32Å; S316-L320 PolarHBondContact O-N 2.04Å; L320-C322 VanDerWaalsContact C-N 3.25Å; L320-C322 PolarHBondContact O-N 2.88Å
321	C	97.2	Very high	95.5	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.007	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.8	-179.4	-48.1	0	0	0	0	113.2	C307 C317 G323 R324 G325 C361	C307-C321 VanDerWaalsContact SG-SG 3.63Å; C317-C321 WeakPolarHBondContact O-CB 3.18Å; C317-C321 PolarHBondContact O-N 3.28Å; C317-C321 PolarHBondContact O-SG 3.27Å; C321-G323 VanDerWaalsContact C-N 3.31Å; C321-G323 PolarHBondContact O-N 2.9Å; C321-R324 WeakPolarHBondContact O-CB 3.38Å; C321-R324 PolarHBondContact O-N 3.38Å; C321-R324 PolarHBondContact O-NE 2.98Å; C321-R324 VanDerWaalsContact O-NE 3.14Å; C321-G325 WeakPolarHBondContact CB-O 3.5Å; C321-C361 WeakPolarHBondContact CA-SG 3.48Å; C321-C361 HydrophobicContact CB-CB 3.55Å; C321-C361 WeakPolarHBondContact CB-SG 3.32Å; C321-C361 PolarHBondContact N-SG 3.26Å; C321-C361 WeakPolarHBondContact SG-CA 3.48Å; C321-C361 WeakPolarHBondContact SG-CB 3.41Å; C321-C361 CovalentContact SG-SG 2.04Å; C321-C361 PolarHBondContact SG-SG 3.03Å
322	C	96.4	Very high	95.6	Very high	37 Å²	37	64.4 Å²	64.4	25%	0.25	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	40.1	176.4	-50.8	0	0	0	0	113.2	R79 C291 D318 L319 L320 R324	R79-C322 PolarHBondContact NE-SG 3.35Å; C291-C322 HydrophobicContact CB-CB 3.65Å; C291-C322 WeakPolarHBondContact CB-SG 3.34Å; C291-C322 WeakPolarHBondContact SG-CB 3.48Å; C291-C322 CovalentContact SG-SG 2.02Å; C291-C322 PolarHBondContact SG-SG 3.38Å; D318-C322 PolarHBondContact O-N 3.35Å; L319-C322 PolarHBondContact O-N 2.96Å; L320-C322 VanDerWaalsContact C-N 3.25Å; L320-C322 PolarHBondContact O-N 2.88Å; C322-R324 PolarHBondContact O-N 2.93Å
323	G	95	Very high	95.7	Very high	67 Å²	67	59.6 Å²	59.6	69%	0.691	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	3.7	178.9	0	0	0	0	0	116	D318 C321 G325	D318-G323 PolarHBondContact O-N 3.09Å; C321-G323 VanDerWaalsContact C-N 3.31Å; C321-G323 PolarHBondContact O-N 2.9Å; G323-G325 PolarHBondContact O-N 3.24Å
324	R	95.3	Very high	95.8	Very high	96 Å²	96	65.3 Å²	65.3	36%	0.362	35%	0.347	S	S	.	.	S	Bend	trans	-75.6	-8.2	179.1	-63.1	-177.8	-71.7	160.4	3.6	114.1	T302 H303 C321 C322 K362	T302-R324 PolarHBondContact OG1-NH2 3.38Å; H303-R324 VanDerWaalsContact N-NH2 3.18Å; C321-R324 WeakPolarHBondContact O-CB 3.38Å; C321-R324 PolarHBondContact O-N 3.38Å; C321-R324 PolarHBondContact O-NE 2.98Å; C321-R324 VanDerWaalsContact O-NE 3.14Å; C322-R324 PolarHBondContact O-N 2.93Å; R324-K362 PolarHBondContact NH1-O 3.46Å; R324-K362 VanDerWaalsContact NH1-O 3.16Å; R324-K362 PolarHBondContact NH2-O 3.05Å
325	G	95.3	Very high	95.9	Very high	30 Å²	30	66.2 Å²	66.2	31%	0.309	35%	0.347	S	S	.	.			trans	82.2	-179.3	-169.7	0	0	0	0	0	112.9	C321 G323 K362	C321-G325 WeakPolarHBondContact CB-O 3.5Å; G323-G325 PolarHBondContact O-N 3.24Å; G325-K362 PolarHBondContact O-N 3.33Å
326	Y	97.2	Very high	95.9	Very high	65 Å²	65	75 Å²	75	26%	0.255	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	149.4	-177.9	51.2	-86.9	0	0	0	110.1	R309 C317 H359 T360	R309-Y326 WeakPolarHBondContact CD-OH 3.04Å; R309-Y326 WeakPolarHBondContact CG-OH 3.43Å; C317-Y326 HydrophobicContact CB-CD1 3.38Å; C317-Y326 HydrophobicContact CB-CE1 3.55Å; C317-Y326 HydrophobicContact CB-CG 4Å; Y326-H359 HydrophobicContact CD2-CB 3.82Å; Y326-H359 AromaticContact CD2-ND1 3.8Å; Y326-H359 HydrophobicContact CE2-CB 4.42Å; Y326-H359 AromaticContact CE2-ND1 3.73Å; Y326-H359 HydrophobicContact CG-CB 4.41Å; Y326-T360 CarbonylContact C-O 3.56Å; Y326-T360 WeakPolarHBondContact CA-O 3.05Å; Y326-T360 WeakPolarHBondContact CB-O 3.48Å
327	D	96.9	Very high	95.9	Very high	83 Å²	83	75.3 Å²	75.3	44%	0.444	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.9	168.9	-65.8	-44.4	0	0	0	109.6	H359 T360 K362	D327-H359 CarbonylContact O-C 3.5Å; D327-H359 VanDerWaalsContact O-CA 3.25Å; D327-H359 WeakPolarHBondContact O-CA 3.4Å; D327-T360 PolarHBondContact N-O 3.07Å; D327-T360 PolarHBondContact O-N 3.26Å; D327-K362 WeakPolarHBondContact OD1-CE 3.5Å; D327-K362 IonicContact OD1-NZ 2.7Å
328	T	96.6	Very high	95.9	Very high	74 Å²	74	81.5 Å²	81.5	45%	0.454	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.2	176.2	-57.9	0	0	0	0	108.8	E357 H359	T328-E357 HydrophobicContact CG2-CB 4.26Å; T328-E357 HydrophobicContact CG2-CG 4.42Å; T328-H359 WeakPolarHBondContact CG2-ND1 3.33Å; T328-H359 PolarHBondContact OG1-ND1 2.92Å
329	R	95.4	Very high	96	Very high	143 Å²	143	78.9 Å²	78.9	54%	0.54	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.6	173.8	60	176.3	-173.3	178.4	1.3	109.9	V331 M358	R329-V331 HydrophobicContact CG-CG1 3.99Å; R329-M358 HydrophobicContact CG-CB 4.24Å; R329-M358 PolarHBondContact N-O 3Å; R329-M358 PolarHBondContact NH2-SD 3.07Å; R329-M358 PolarHBondContact O-N 3.05Å
330	V	95.7	Very high	96	Very high	95 Å²	95	82.2 Å²	82.2	58%	0.576	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.5	170.7	-178.5	0	0	0	0	107.7	N355	V330-N355 HydrophobicContact CG1-CB 3.67Å
331	V	94.7	Very high	95.9	Very high	34 Å²	34	88.1 Å²	88.1	21%	0.206	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.4	175.2	-61.5	0	0	0	0	110.2	R329 K333 V356 M358	R329-V331 HydrophobicContact CG-CG1 3.99Å; V331-K333 PolarHBondContact O-N 2.62Å; V331-V356 WeakPolarHBondContact CG2-O 3.21Å; V331-V356 PolarHBondContact N-O 3.2Å; V331-V356 PolarHBondContact O-N 3.13Å; V331-M358 HydrophobicContact CG1-CB 4.21Å; V331-M358 HydrophobicContact CG1-CE 4.47Å; V331-M358 HydrophobicContact CG1-SD 4.24Å; V331-M358 HydrophobicContact CG2-CB 3.94Å; V331-M358 HydrophobicContact CG2-CE 3.85Å
332	L	95.9	Very high	95.7	Very high	84 Å²	84	90.3 Å²	90.3	44%	0.44	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	111.7	174	-165	66.9	0	0	0	109.1	Y334 A353 N355	L332-Y334 HydrophobicContact CD2-CE1 4.14Å; L332-Y334 HydrophobicContact CD2-CE2 3.97Å; L332-Y334 VanDerWaalsContact CD2-CZ 3.49Å; L332-Y334 WeakPolarHBondContact CD2-OH 3.32Å; L332-Y334 HydrophobicContact CG-CE2 4.14Å; L332-A353 HydrophobicContact CD1-CB 3.65Å; L332-A353 HydrophobicContact CD2-CB 4.1Å; L332-A353 HydrophobicContact CG-CB 3.88Å; L332-N355 WeakPolarHBondContact CD1-OD1 3.5Å
333	K	94.3	Very high	95.5	Very high	103 Å²	103	99.6 Å²	99.6	45%	0.448	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.1	177.3	-167.2	-174.5	-170.4	-165	0	109.7	V331 E335 A353 W354 V356	V331-K333 PolarHBondContact O-N 2.62Å; K333-E335 HydrophobicContact CD-CG 4.35Å; K333-E335 WeakPolarHBondContact CE-OE1 3.38Å; K333-E335 HydrophobicContact CG-CG 4.36Å; K333-E335 IonicContact NZ-OE1 3.7Å; K333-E335 PolarHBondContact NZ-OE1 3.38Å; K333-A353 WeakPolarHBondContact O-CA 3.37Å; K333-W354 PolarHBondContact N-O 3.21Å; K333-W354 PolarHBondContact O-N 3.33Å; K333-V356 HydrophobicContact CB-CG2 3.89Å; K333-V356 HydrophobicContact CD-CG2 4.23Å
334	Y	96.3	Very high	95.1	Very high	151 Å²	151	100.3 Å²	100.3	59%	0.592	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.6	176.8	-63.8	-86.3	0	0	0	110.6	L332 T351 C352 A353	L332-Y334 HydrophobicContact CD2-CE1 4.14Å; L332-Y334 HydrophobicContact CD2-CE2 3.97Å; L332-Y334 VanDerWaalsContact CD2-CZ 3.49Å; L332-Y334 WeakPolarHBondContact CD2-OH 3.32Å; L332-Y334 HydrophobicContact CG-CE2 4.14Å; Y334-T351 HydrophobicContact CD1-CG2 3.98Å; Y334-C352 WeakPolarHBondContact CA-O 3.45Å; Y334-A353 HydrophobicContact CD1-CB 3.8Å; Y334-A353 HydrophobicContact CE1-CB 3.62Å
335	E	95.1	Very high	94.8	Very high	86 Å²	86	100.4 Å²	100.4	40%	0.402	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.1	176.2	-68.4	-172.7	166.8	0	0	111	K333 C337 C352	K333-E335 HydrophobicContact CD-CG 4.35Å; K333-E335 WeakPolarHBondContact CE-OE1 3.38Å; K333-E335 HydrophobicContact CG-CG 4.36Å; K333-E335 IonicContact NZ-OE1 3.7Å; K333-E335 PolarHBondContact NZ-OE1 3.38Å; E335-C337 PolarHBondContact O-N 2.95Å; E335-C352 PolarHBondContact N-O 2.78Å; E335-C352 PolarHBondContact O-N 3.46Å
336	R	96.1	Very high	94.7	Very high	210 Å²	210	105.5 Å²	105.5	79%	0.792	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	122.6	170.9	-68.9	-174.5	178.8	177.3	0	108.5	C349 K350	R336-C349 HydrophobicContact CB-CB 3.98Å; R336-C349 HydrophobicContact CG-CB 4.35Å; R336-K350 WeakPolarHBondContact CA-O 3.47Å
337	C	96.3	Very high	94.7	Very high	15 Å²	15	106.7 Å²	106.7	10%	0.101	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	168.2	-176.6	64.9	0	0	0	0	110.1	E335 C339 K350 C352	E335-C337 PolarHBondContact O-N 2.95Å; C337-C339 PolarHBondContact O-N 3.46Å; C337-K350 PolarHBondContact N-O 3.23Å; C337-K350 PolarHBondContact O-N 2.81Å; C337-K350 VanDerWaalsContact O-O 3.14Å; C337-K350 PolarHBondContact SG-O 2.67Å; C337-K350 VanDerWaalsContact SG-O 3.38Å; C337-C352 HydrophobicContact CB-CB 3.61Å; C337-C352 WeakPolarHBondContact CB-SG 2.96Å; C337-C352 VanDerWaalsContact SG-CA 3.58Å; C337-C352 WeakPolarHBondContact SG-CB 3.28Å; C337-C352 PolarHBondContact SG-N 3.35Å; C337-C352 CovalentContact SG-SG 2Å; C337-C352 PolarHBondContact SG-SG 2.93Å
338	H	96.4	Very high	94.6	Very high	135 Å²	135	105.8 Å²	105.8	63%	0.625	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48.3	39.7	178	-56	-63.4	0	0	0	112.9	K340	H338-K340 PolarHBondContact O-N 2.89Å
339	C	96.8	Very high	94.7	Very high	67 Å²	67	104.4 Å²	104.4	45%	0.453	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122.3	-180	-66	0	0	0	0	110	C337 V347 T348 C349	C337-C339 PolarHBondContact O-N 3.46Å; C339-V347 HydrophobicContact CB-CG1 3.84Å; C339-T348 CarbonylContact C-O 3.23Å; C339-T348 VanDerWaalsContact CA-O 3.3Å; C339-T348 WeakPolarHBondContact CA-O 3.16Å; C339-C349 HydrophobicContact CB-CB 4.11Å; C339-C349 WeakPolarHBondContact CB-SG 3.35Å; C339-C349 WeakPolarHBondContact SG-CB 3.35Å; C339-C349 CovalentContact SG-SG 2.04Å; C339-C349 PolarHBondContact SG-SG 3.45Å
340	K	95.4	Very high	94.7	Very high	150 Å²	150	104.6 Å²	104.6	65%	0.652	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.5	174.6	-65.9	-174.3	179.2	-173.6	0	109.1	H338 V342 V347 T348	H338-K340 PolarHBondContact O-N 2.89Å; K340-V342 PolarHBondContact O-N 3.49Å; K340-V347 WeakPolarHBondContact O-CA 3.15Å; K340-T348 PolarHBondContact N-O 3.32Å; K340-T348 PolarHBondContact O-N 3.01Å; K340-T348 PolarHBondContact O-OG1 3.47Å
341	F	96.4	Very high	94.8	Very high	125 Å²	125	105.2 Å²	105.2	55%	0.548	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.9	166.3	-175.8	-102.9	0	0	0	108.5	W343 V347	F341-W343 HydrophobicContact CD1-CE3 4.46Å; F341-W343 AromaticContact CE1-CE3 3.73Å; F341-W343 HydrophobicContact CE1-CE3 3.73Å; F341-W343 HydrophobicContact CE1-CZ3 4.23Å; F341-V347 HydrophobicContact CD2-CG2 3.95Å
342	V	93.3	Very high	94.9	Very high	47 Å²	47	104.7 Å²	104.7	29%	0.285	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.5	171.6	-179.1	0	0	0	0	106.6	K340 C344 Y346 T348	K340-V342 PolarHBondContact O-N 3.49Å; V342-C344 CarbonylContact O-C 3.54Å; V342-C344 PolarHBondContact O-N 3Å; V342-Y346 HydrophobicContact CB-CD2 4.37Å; V342-Y346 HydrophobicContact CB-CE1 4.21Å; V342-Y346 HydrophobicContact CB-CE2 4.05Å; V342-Y346 HydrophobicContact CG1-CE1 4.06Å; V342-Y346 HydrophobicContact CG1-CE2 4.42Å; V342-Y346 HydrophobicContact CG2-CD2 4.3Å; V342-Y346 HydrophobicContact CG2-CE2 3.82Å; V342-Y346 PolarHBondContact N-O 3.37Å; V342-T348 HydrophobicContact CG2-CG2 3.94Å
343	W	91.9	Very high	94.9	Very high	231 Å²	231	103.1 Å²	103.1	88%	0.875	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	119.1	-179	-175	-107.5	0	0	0	109.7	F341	F341-W343 HydrophobicContact CD1-CE3 4.46Å; F341-W343 AromaticContact CE1-CE3 3.73Å; F341-W343 HydrophobicContact CE1-CE3 3.73Å; F341-W343 HydrophobicContact CE1-CZ3 4.23Å
344	C	87	Confident	95	Very high	83 Å²	83	104.7 Å²	104.7	56%	0.561	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.7	110.3	-158.1	-163.5	0	0	0	0	117.5	V342	V342-C344 CarbonylContact O-C 3.54Å; V342-C344 PolarHBondContact O-N 3Å
345	C	87	Confident	95	Very high	98 Å²	98	103.5 Å²	103.5	66%	0.662	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	cis	-149.8	31.2	-2.9	-76.2	0	0	0	0	110.4
346	Y	94.1	Very high	94.9	Very high	137 Å²	137	102.2 Å²	102.2	54%	0.537	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154	-173	61	-84	0	0	0	111.6	V342 T348	V342-Y346 HydrophobicContact CB-CD2 4.37Å; V342-Y346 HydrophobicContact CB-CE1 4.21Å; V342-Y346 HydrophobicContact CB-CE2 4.05Å; V342-Y346 HydrophobicContact CG1-CE1 4.06Å; V342-Y346 HydrophobicContact CG1-CE2 4.42Å; V342-Y346 HydrophobicContact CG2-CD2 4.3Å; V342-Y346 HydrophobicContact CG2-CE2 3.82Å; V342-Y346 PolarHBondContact N-O 3.37Å; Y346-T348 HydrophobicContact CD2-CG2 3.54Å; Y346-T348 HydrophobicContact CE2-CG2 3.31Å
347	V	96.1	Very high	94.9	Very high	89 Å²	89	97.3 Å²	97.3	54%	0.539	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.1	172.9	179.7	0	0	0	0	107.8	C339 K340 F341	C339-V347 HydrophobicContact CB-CG1 3.84Å; K340-V347 WeakPolarHBondContact O-CA 3.15Å; F341-V347 HydrophobicContact CD2-CG2 3.95Å
348	T	96.3	Very high	94.8	Very high	64 Å²	64	98.5 Å²	98.5	39%	0.393	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.3	169.7	55.8	0	0	0	0	108.7	C339 K340 V342 Y346	C339-T348 CarbonylContact C-O 3.23Å; C339-T348 VanDerWaalsContact CA-O 3.3Å; C339-T348 WeakPolarHBondContact CA-O 3.16Å; K340-T348 PolarHBondContact N-O 3.32Å; K340-T348 PolarHBondContact O-N 3.01Å; K340-T348 PolarHBondContact O-OG1 3.47Å; V342-T348 HydrophobicContact CG2-CG2 3.94Å; Y346-T348 HydrophobicContact CD2-CG2 3.54Å; Y346-T348 HydrophobicContact CE2-CG2 3.31Å
349	C	97.6	Very high	94.9	Very high	46 Å²	46	92.9 Å²	92.9	31%	0.311	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.1	175.3	-56.5	0	0	0	0	109.3	R336 C339	R336-C349 HydrophobicContact CB-CB 3.98Å; R336-C349 HydrophobicContact CG-CB 4.35Å; C339-C349 HydrophobicContact CB-CB 4.11Å; C339-C349 WeakPolarHBondContact CB-SG 3.35Å; C339-C349 WeakPolarHBondContact SG-CB 3.35Å; C339-C349 CovalentContact SG-SG 2.04Å; C339-C349 PolarHBondContact SG-SG 3.45Å
350	K	97	Very high	94.9	Very high	147 Å²	147	90.9 Å²	90.9	64%	0.639	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	157.2	163	-67.2	-177.7	175.2	-175.5	0	109	R336 C337	R336-K350 WeakPolarHBondContact CA-O 3.47Å; C337-K350 PolarHBondContact N-O 3.23Å; C337-K350 PolarHBondContact O-N 2.81Å; C337-K350 VanDerWaalsContact O-O 3.14Å; C337-K350 PolarHBondContact SG-O 2.67Å; C337-K350 VanDerWaalsContact SG-O 3.38Å
351	T	97	Very high	95	Very high	107 Å²	107	83.8 Å²	83.8	66%	0.656	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.3	167.3	-56	0	0	0	0	107.6	Y334	Y334-T351 HydrophobicContact CD1-CG2 3.98Å
352	C	97.2	Very high	95	Very high	23 Å²	23	83.1 Å²	83.1	16%	0.155	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146	173.6	-71.8	0	0	0	0	109.7	Y334 E335 C337 W354	Y334-C352 WeakPolarHBondContact CA-O 3.45Å; E335-C352 PolarHBondContact N-O 2.78Å; E335-C352 PolarHBondContact O-N 3.46Å; C337-C352 HydrophobicContact CB-CB 3.61Å; C337-C352 WeakPolarHBondContact CB-SG 2.96Å; C337-C352 VanDerWaalsContact SG-CA 3.58Å; C337-C352 WeakPolarHBondContact SG-CB 3.28Å; C337-C352 PolarHBondContact SG-N 3.35Å; C337-C352 CovalentContact SG-SG 2Å; C337-C352 PolarHBondContact SG-SG 2.93Å; C352-W354 HydrophobicContact CB-CZ2 4.05Å
353	A	96.4	Very high	95	Very high	51 Å²	51	84.9 Å²	84.9	42%	0.421	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.2	173	0	0	0	0	0	108.5	L332 K333 Y334	L332-A353 HydrophobicContact CD1-CB 3.65Å; L332-A353 HydrophobicContact CD2-CB 4.1Å; L332-A353 HydrophobicContact CG-CB 3.88Å; K333-A353 WeakPolarHBondContact O-CA 3.37Å; Y334-A353 HydrophobicContact CD1-CB 3.8Å; Y334-A353 HydrophobicContact CE1-CB 3.62Å
354	W	95.5	Very high	95.2	Very high	136 Å²	136	77.2 Å²	77.2	52%	0.515	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.7	-179.9	-53.4	93.5	0	0	0	109.3	K333 C352 V356	K333-W354 PolarHBondContact N-O 3.21Å; K333-W354 PolarHBondContact O-N 3.33Å; C352-W354 HydrophobicContact CB-CZ2 4.05Å; W354-V356 HydrophobicContact CB-CG2 4.28Å; W354-V356 PolarHBondContact O-N 3.11Å
355	N	95.6	Very high	95.7	Very high	127 Å²	127	76.9 Å²	76.9	68%	0.679	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	116.4	169.1	-75.3	-26.1	0	0	0	108.6	V330 L332	V330-N355 HydrophobicContact CG1-CB 3.67Å; L332-N355 WeakPolarHBondContact CD1-OD1 3.5Å
356	V	94.1	Very high	96.2	Very high	59 Å²	59	75.6 Å²	75.6	36%	0.358	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.7	-180	-177.6	0	0	0	0	109.2	V331 K333 W354 M358	V331-V356 WeakPolarHBondContact CG2-O 3.21Å; V331-V356 PolarHBondContact N-O 3.2Å; V331-V356 PolarHBondContact O-N 3.13Å; K333-V356 HydrophobicContact CB-CG2 3.89Å; K333-V356 HydrophobicContact CD-CG2 4.23Å; W354-V356 HydrophobicContact CB-CG2 4.28Å; W354-V356 PolarHBondContact O-N 3.11Å; V356-M358 PolarHBondContact O-N 3.34Å
357	E	94.7	Very high	96.3	Very high	106 Å²	106	71.8 Å²	71.8	50%	0.495	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	119.2	169.6	-67.7	-176.1	176.6	0	0	109.6	R309 T328 H359	R309-E357 IonicContact NH2-OE2 3.61Å; T328-E357 HydrophobicContact CG2-CB 4.26Å; T328-E357 HydrophobicContact CG2-CG 4.42Å; E357-H359 IonicContact OE2-CE1 2.94Å
358	M	95.7	Very high	96.3	Very high	41 Å²	41	70.7 Å²	70.7	20%	0.202	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.6	173.8	179.6	-179.1	-75.7	0	0	109.1	Q306 R329 V331 V356 T360	Q306-M358 HydrophobicContact CG-CG 4.33Å; Q306-M358 HydrophobicContact CG-SD 4.34Å; Q306-M358 PolarHBondContact NE2-SD 3.38Å; R329-M358 HydrophobicContact CG-CB 4.24Å; R329-M358 PolarHBondContact N-O 3Å; R329-M358 PolarHBondContact NH2-SD 3.07Å; R329-M358 PolarHBondContact O-N 3.05Å; V331-M358 HydrophobicContact CG1-CB 4.21Å; V331-M358 HydrophobicContact CG1-CE 4.47Å; V331-M358 HydrophobicContact CG1-SD 4.24Å; V331-M358 HydrophobicContact CG2-CB 3.94Å; V331-M358 HydrophobicContact CG2-CE 3.85Å; V356-M358 PolarHBondContact O-N 3.34Å; M358-T360 HydrophobicContact CG-CG2 4.44Å
359	H	97.2	Very high	96.3	Very high	17 Å²	17	71.1 Å²	71.1	8%	0.079	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.4	177.5	-49.7	-66.2	0	0	0	110.6	Q306 C307 R309 Y326 D327 T328 E357	Q306-H359 VanDerWaalsContact CA-O 3.3Å; Q306-H359 WeakPolarHBondContact CA-O 3.38Å; C307-H359 PolarHBondContact N-O 3.08Å; R309-H359 WeakPolarHBondContact CB-NE2 3.28Å; Y326-H359 HydrophobicContact CD2-CB 3.82Å; Y326-H359 AromaticContact CD2-ND1 3.8Å; Y326-H359 HydrophobicContact CE2-CB 4.42Å; Y326-H359 AromaticContact CE2-ND1 3.73Å; Y326-H359 HydrophobicContact CG-CB 4.41Å; D327-H359 CarbonylContact O-C 3.5Å; D327-H359 VanDerWaalsContact O-CA 3.25Å; D327-H359 WeakPolarHBondContact O-CA 3.4Å; T328-H359 WeakPolarHBondContact CG2-ND1 3.33Å; T328-H359 PolarHBondContact OG1-ND1 2.92Å; E357-H359 IonicContact OE2-CE1 2.94Å
360	T	97.3	Very high	96.2	Very high	24 Å²	24	73.1 Å²	73.1	15%	0.147	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.3	178.7	49.9	0	0	0	0	111.3	R305 Q306 Y326 D327 M358	R305-T360 CarbonylContact O-C 3.47Å; R305-T360 WeakPolarHBondContact O-CA 3.45Å; Q306-T360 HydrophobicContact CG-CG2 4.1Å; Y326-T360 CarbonylContact C-O 3.56Å; Y326-T360 WeakPolarHBondContact CA-O 3.05Å; Y326-T360 WeakPolarHBondContact CB-O 3.48Å; D327-T360 PolarHBondContact N-O 3.07Å; D327-T360 PolarHBondContact O-N 3.26Å; M358-T360 HydrophobicContact CG-CG2 4.44Å
361	C	97.3	Very high	96.2	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.014	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	137.3	-180	-62.8	0	0	0	0	112.7	T302 G304 R305 C321	T302-C361 VanDerWaalsContact O-CB 3.22Å; T302-C361 WeakPolarHBondContact O-CB 3.43Å; G304-C361 WeakPolarHBondContact CA-O 3.41Å; G304-C361 PolarHBondContact N-O 3.46Å; R305-C361 PolarHBondContact O-N 3.36Å; C321-C361 WeakPolarHBondContact CA-SG 3.48Å; C321-C361 HydrophobicContact CB-CB 3.55Å; C321-C361 WeakPolarHBondContact CB-SG 3.32Å; C321-C361 PolarHBondContact N-SG 3.26Å; C321-C361 WeakPolarHBondContact SG-CA 3.48Å; C321-C361 WeakPolarHBondContact SG-CB 3.41Å; C321-C361 CovalentContact SG-SG 2.04Å; C321-C361 PolarHBondContact SG-SG 3.03Å
362	K	95.8	Very high	96.1	Very high	110 Å²	110	63.3 Å²	63.3	48%	0.478	32%	0.322	S	S	.	.			trans	-75.1	0	172.5	-68.8	179.3	174.5	-178	0	113.5	H303 R324 G325 D327	H303-K362 PolarHBondContact CD2-OXT 3.34Å; H303-K362 PolarHBondContact NE2-OXT 3.21Å; R324-K362 PolarHBondContact NH1-O 3.46Å; R324-K362 VanDerWaalsContact NH1-O 3.16Å; R324-K362 PolarHBondContact NH2-O 3.05Å; G325-K362 PolarHBondContact O-N 3.33Å; D327-K362 WeakPolarHBondContact OD1-CE 3.5Å; D327-K362 IonicContact OD1-NZ 2.7Å

Retrieved 362 of 362 residues in 163.8 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).