A0A5K4F0Q6_SCHMA Loading...

PUA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0Q6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 453 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	55.6	Low	243 Å²	243	161.1 Å²	161.1	100%	1.197	82%	0.816	S	S	*	*				0	109.6	0	-75.9	171.9	158.1	0	0	108.9	K3	M1-K3 PolarHBondContact O-N 3.42Å
2	K	40.6	Very low	57.6	Low	208 Å²	208	150.7 Å²	150.7	90%	0.904	78%	0.779	S	S	*	*			trans	-69.8	113.6	172.7	-81	180	175.7	176	0	107.5	H4	K2-H4 PolarHBondContact O-N 3.41Å
3	K	43.5	Very low	59.4	Low	204 Å²	204	143.7 Å²	143.7	89%	0.887	76%	0.757	S	S	*	*			trans	-61.1	108.3	172.5	-74	-179.6	174.9	179.2	0	107.7	M1 K5	M1-K3 PolarHBondContact O-N 3.42Å; K3-K5 PolarHBondContact O-N 3.49Å; K3-K5 VanDerWaalsContact O-N 3.1Å
4	H	48.9	Very low	60.9	Low	179 Å²	179	137.1 Å²	137.1	83%	0.829	72%	0.722	S	S	*	*			trans	-60.2	114.1	168.3	-95.5	-89.1	0	0	0	107.6	K2 V6	K2-H4 PolarHBondContact O-N 3.41Å; H4-V6 PolarHBondContact O-N 3.4Å
5	K	48.9	Very low	62.1	Low	198 Å²	198	136.6 Å²	136.6	86%	0.861	71%	0.714	S	S	*	*			trans	-62.6	107.5	165.1	-86.4	-177	172.4	-179.6	0	106.1	K3 R7	K3-K5 PolarHBondContact O-N 3.49Å; K3-K5 VanDerWaalsContact O-N 3.1Å; K5-R7 PolarHBondContact O-N 3.24Å
6	V	54.2	Low	63.4	Low	136 Å²	136	133.7 Å²	133.7	82%	0.824	72%	0.716	S	S	*	*			trans	-58.3	107	170.2	-179.9	0	0	0	0	106.2	H4 A8	H4-V6 PolarHBondContact O-N 3.4Å; V6-A8 PolarHBondContact O-N 3.12Å
7	R	56.9	Low	64.6	Low	224 Å²	224	130.9 Å²	130.9	85%	0.845	72%	0.716	S	S	*	*			trans	-63.9	119.3	171.8	-78.9	-179.9	170.8	178	-3.3	105.9	K5 G9	K5-R7 PolarHBondContact O-N 3.24Å; R7-G9 PolarHBondContact O-N 3.36Å
8	A	58.1	Low	65.6	Low	115 Å²	115	130.1 Å²	130.1	95%	0.95	71%	0.706	S	S	*	*			trans	-69.2	70.6	172.5	0	0	0	0	0	109	V6	V6-A8 PolarHBondContact O-N 3.12Å
9	G	71.5	Confident	66.3	Low	39 Å²	39	129.8 Å²	129.8	40%	0.402	72%	0.715	S	S	.	*			trans	-101.6	151.8	172	0	0	0	0	0	109.8	R7 V11	R7-G9 PolarHBondContact O-N 3.36Å; G9-V11 PolarHBondContact O-N 3.12Å
10	N	74.6	Confident	67	Low	130 Å²	130	130.3 Å²	130.3	70%	0.695	71%	0.71	S	S	*	*			trans	-52.7	127.8	167.4	-177.8	-9.7	0	0	0	108.8	G12 A13 I14	N10-G12 PolarHBondContact O-N 3.31Å; N10-G12 VanDerWaalsContact O-N 3.09Å; N10-G12 PolarHBondContact OD1-N 3.31Å; N10-A13 WeakPolarHBondContact O-CB 3.3Å; N10-A13 PolarHBondContact O-N 3.45Å; N10-I14 PolarHBondContact O-N 3.2Å
11	V	75.2	Confident	67.7	Low	96 Å²	96	128 Å²	128	58%	0.582	71%	0.709	S	S	*	*	H	α-helix	trans	-50.8	-38.2	-177.2	179	0	0	0	0	111.1	G9 A13 I14 Q15	G9-V11 PolarHBondContact O-N 3.12Å; V11-A13 VanDerWaalsContact C-N 3.34Å; V11-A13 PolarHBondContact O-N 3.17Å; V11-I14 PolarHBondContact O-N 3.17Å; V11-Q15 HydrophobicContact CG1-CG 4.21Å; V11-Q15 WeakPolarHBondContact O-CB 3.19Å; V11-Q15 VanDerWaalsContact O-CG 3.32Å; V11-Q15 WeakPolarHBondContact O-CG 3.49Å; V11-Q15 PolarHBondContact O-N 3.32Å
12	G	79.5	Confident	69.3	Low	36 Å²	36	123.6 Å²	123.6	37%	0.371	70%	0.695	S	S	.	*	H	α-helix	trans	-63.1	-35.6	177.5	0	0	0	0	0	114	N10 A16	N10-G12 PolarHBondContact O-N 3.31Å; N10-G12 VanDerWaalsContact O-N 3.09Å; N10-G12 PolarHBondContact OD1-N 3.31Å; G12-A16 WeakPolarHBondContact O-CB 3.17Å; G12-A16 PolarHBondContact O-N 3.17Å
13	A	81.1	Confident	71.1	Confident	60 Å²	60	120.3 Å²	120.3	50%	0.496	69%	0.686	S	S	.	*	H	α-helix	trans	-72.3	-35.9	176.7	0	0	0	0	0	111.8	N10 V11 A16 A17	N10-A13 WeakPolarHBondContact O-CB 3.3Å; N10-A13 PolarHBondContact O-N 3.45Å; V11-A13 VanDerWaalsContact C-N 3.34Å; V11-A13 PolarHBondContact O-N 3.17Å; A13-A16 PolarHBondContact O-N 3.4Å; A13-A17 VanDerWaalsContact O-CB 3.28Å; A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.41Å
14	I	80.2	Confident	72.5	Confident	52 Å²	52	115.8 Å²	115.8	27%	0.267	68%	0.68	S	S	.	*	H	α-helix	trans	-67.6	-44.7	175.4	-58	173.2	0	0	0	109.6	N10 V11 A16 A17 E18 F20	N10-I14 PolarHBondContact O-N 3.2Å; V11-I14 PolarHBondContact O-N 3.17Å; I14-A16 VanDerWaalsContact C-N 3.29Å; I14-A16 PolarHBondContact O-N 2.72Å; I14-A17 PolarHBondContact O-N 2.77Å; I14-E18 HydrophobicContact CG2-CG 4.49Å; I14-E18 WeakPolarHBondContact O-CB 3.29Å; I14-E18 PolarHBondContact O-N 3.44Å; I14-F20 HydrophobicContact CG2-CZ 4Å
15	Q	79.5	Confident	73.3	Confident	129 Å²	129	114.6 Å²	114.6	60%	0.603	68%	0.675	S	S	*	*	H	α-helix	trans	-62.3	-32.9	176.5	-74.8	178.1	-25.4	0	0	113.6	V11 F20	V11-Q15 HydrophobicContact CG1-CG 4.21Å; V11-Q15 WeakPolarHBondContact O-CB 3.19Å; V11-Q15 VanDerWaalsContact O-CG 3.32Å; V11-Q15 WeakPolarHBondContact O-CG 3.49Å; V11-Q15 PolarHBondContact O-N 3.32Å; Q15-F20 HydrophobicContact CG-CE2 4.46Å
16	A	82.5	Confident	74.4	Confident	90 Å²	90	113.1 Å²	113.1	74%	0.744	68%	0.677	S	S	*	*	H	α-helix	trans	-78.5	-31.4	175.8	0	0	0	0	0	113.1	G12 A13 I14	G12-A16 WeakPolarHBondContact O-CB 3.17Å; G12-A16 PolarHBondContact O-N 3.17Å; A13-A16 PolarHBondContact O-N 3.4Å; I14-A16 VanDerWaalsContact C-N 3.29Å; I14-A16 PolarHBondContact O-N 2.72Å
17	A	83.4	Confident	75	Confident	87 Å²	87	115 Å²	115	72%	0.719	67%	0.674	S	S	*	*	H	α-helix	trans	-87.1	-31.7	-176.5	0	0	0	0	0	113.7	A13 I14	A13-A17 VanDerWaalsContact O-CB 3.28Å; A13-A17 WeakPolarHBondContact O-CB 3.42Å; A13-A17 PolarHBondContact O-N 3.41Å; I14-A17 PolarHBondContact O-N 2.77Å
18	E	82	Confident	75.5	Confident	115 Å²	115	113.2 Å²	113.2	54%	0.537	67%	0.672	S	S	.	*	S	Bend	trans	-109.9	137.5	-174.9	-64.4	-179.5	175.8	0	0	110.8	I14 F20	I14-E18 HydrophobicContact CG2-CG 4.49Å; I14-E18 WeakPolarHBondContact O-CB 3.29Å; I14-E18 PolarHBondContact O-N 3.44Å; E18-F20 HydrophobicContact CB-CD2 4.44Å; E18-F20 HydrophobicContact CB-CE2 3.63Å; E18-F20 HydrophobicContact CB-CZ 3.78Å; E18-F20 VanDerWaalsContact O-CD2 3.27Å; E18-F20 WeakPolarHBondContact O-CD2 3.26Å; E18-F20 WeakPolarHBondContact O-CE2 3.28Å; E18-F20 WeakPolarHBondContact OE2-CZ 3.27Å
19	S	80.3	Confident	75.7	Confident	125 Å²	125	113.8 Å²	113.8	87%	0.874	67%	0.666	S	S	*	*			trans	-83.6	121.4	170.7	57.2	0	0	0	0	109.9
20	F	79.2	Confident	75.6	Confident	139 Å²	139	117.7 Å²	117.7	61%	0.61	68%	0.682	S	S	*	*			trans	-101.9	119.3	175.6	-64.1	-88	0	0	0	108.9	I14 Q15 E18	I14-F20 HydrophobicContact CG2-CZ 4Å; Q15-F20 HydrophobicContact CG-CE2 4.46Å; E18-F20 HydrophobicContact CB-CD2 4.44Å; E18-F20 HydrophobicContact CB-CE2 3.63Å; E18-F20 HydrophobicContact CB-CZ 3.78Å; E18-F20 VanDerWaalsContact O-CD2 3.27Å; E18-F20 WeakPolarHBondContact O-CD2 3.26Å; E18-F20 WeakPolarHBondContact O-CE2 3.28Å; E18-F20 WeakPolarHBondContact OE2-CZ 3.27Å
21	A	81.7	Confident	75.7	Confident	83 Å²	83	118 Å²	118	69%	0.686	68%	0.683	S	S	*	*			trans	-127.2	140.6	172	0	0	0	0	0	109.2	I23	A21-I23 PolarHBondContact O-N 3.45Å; A21-I23 VanDerWaalsContact O-N 3.11Å
22	V	74.9	Confident	75.8	Confident	151 Å²	151	118.2 Å²	118.2	92%	0.915	68%	0.681	S	S	*	*			trans	-73.1	103.2	167.5	-179.5	0	0	0	0	106.7
23	I	77.7	Confident	76	Confident	138 Å²	138	116.8 Å²	116.8	71%	0.708	67%	0.665	S	S	*	*			trans	-77.3	133.1	174.7	-53.3	174.2	0	0	0	107.2	A21 E25	A21-I23 PolarHBondContact O-N 3.45Å; A21-I23 VanDerWaalsContact O-N 3.11Å; I23-E25 PolarHBondContact O-N 3.45Å; I23-E25 VanDerWaalsContact O-N 3.14Å
24	S	72.4	Confident	76.3	Confident	110 Å²	110	115.1 Å²	115.1	77%	0.769	65%	0.65	S	S	*	*			trans	-65	113.7	171.3	-175.5	0	0	0	0	108.8
25	E	66.3	Low	76.6	Confident	154 Å²	154	120.4 Å²	120.4	72%	0.72	67%	0.674	S	S	*	*			trans	-94	128.7	169.7	-67.3	-174	175.7	0	0	109.2	I23 K27	I23-E25 PolarHBondContact O-N 3.45Å; I23-E25 VanDerWaalsContact O-N 3.14Å; E25-K27 PolarHBondContact O-N 2.88Å; E25-K27 VanDerWaalsContact O-N 3.15Å
26	D	71.4	Confident	77.1	Confident	167 Å²	167	119.5 Å²	119.5	89%	0.893	67%	0.665	S	S	*	*	S	Bend	trans	-62.5	-19.6	174.6	-75	-29	0	0	0	112.6
27	K	65.9	Low	77.4	Confident	175 Å²	175	117.9 Å²	117.9	76%	0.761	65%	0.646	S	S	*	*	S	Bend	trans	-88.1	114.1	179.8	-73.2	-176.2	179.7	177.5	0	110.4	E25	E25-K27 PolarHBondContact O-N 2.88Å; E25-K27 VanDerWaalsContact O-N 3.15Å
28	K	67.5	Low	77.9	Confident	187 Å²	187	114.9 Å²	114.9	81%	0.813	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-63.3	133.7	164.5	-64.8	-178.5	-178.7	179.9	0	109	T30	K28-T30 PolarHBondContact O-N 3.45Å
29	P	64	Low	78.5	Confident	127 Å²	127	109.4 Å²	109.4	83%	0.825	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-61.3	124.7	174.5	25.2	-32.7	0	0	0	109.2
30	T	68.8	Low	79.2	Confident	121 Å²	121	104.4 Å²	104.4	74%	0.742	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-77.9	122.2	170.4	49.9	0	0	0	0	108.4	K28 D32	K28-T30 PolarHBondContact O-N 3.45Å; T30-D32 PolarHBondContact O-N 2.97Å
31	L	75.3	Confident	79.8	Confident	135 Å²	135	102.5 Å²	102.5	71%	0.707	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-59.1	119.1	171.5	-72	164.9	0	0	0	109.6	C33 H44	L31-C33 PolarHBondContact O-N 3.28Å; L31-C33 PolarHBondContact O-SG 3.36Å; L31-H44 WeakPolarHBondContact O-CB 3.47Å
32	D	77.9	Confident	80.4	Confident	101 Å²	101	101 Å²	101	54%	0.54	53%	0.528	S	S	.	.			trans	-73.6	100.5	173.1	-178.8	17.2	0	0	0	110	T30 S34 H44	T30-D32 PolarHBondContact O-N 2.97Å; D32-S34 VanDerWaalsContact C-N 3.3Å; D32-S34 VanDerWaalsContact CG-OG 3.25Å; D32-S34 WeakPolarHBondContact OD1-CA 3.46Å; D32-S34 WeakPolarHBondContact OD1-CB 3.27Å; D32-S34 PolarHBondContact OD1-N 2.82Å; D32-S34 PolarHBondContact OD1-OG 2.87Å; D32-S34 PolarHBondContact OD2-OG 3.24Å; D32-H44 IonicContact OD1-CE1 3.96Å; D32-H44 PolarHBondContact OD1-CE1 3.44Å; D32-H44 IonicContact OD1-NE2 2.66Å
33	C	84.9	Confident	81.1	Confident	7 Å²	7	94.3 Å²	94.3	5%	0.047	49%	0.487	C	S	.	.			trans	-89.2	16.7	174	-46.5	0	0	0	0	113	L31 Q35 W36 N42 H44	L31-C33 PolarHBondContact O-N 3.28Å; L31-C33 PolarHBondContact O-SG 3.36Å; C33-Q35 VanDerWaalsContact C-N 3.26Å; C33-Q35 PolarHBondContact O-N 2.89Å; C33-W36 HydrophobicContact CB-CB 4.26Å; C33-W36 HydrophobicContact CB-CD2 3.6Å; C33-W36 HydrophobicContact CB-CE3 3.79Å; C33-W36 HydrophobicContact CB-CG 3.78Å; C33-W36 HydrophobicContact CB-CZ3 4.47Å; C33-W36 WeakPolarHBondContact O-CB 3.5Å; C33-W36 PolarHBondContact O-N 3.21Å; C33-N42 PolarHBondContact O-N 2.72Å; C33-H44 WeakPolarHBondContact CB-ND1 3.09Å; C33-H44 PolarHBondContact N-ND1 2.93Å
34	S	86.8	Confident	81.6	Confident	25 Å²	25	90.7 Å²	90.7	18%	0.175	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.4	-176.3	68.1	0	0	0	0	113.7	D32 K41 N42	D32-S34 VanDerWaalsContact C-N 3.3Å; D32-S34 VanDerWaalsContact CG-OG 3.25Å; D32-S34 WeakPolarHBondContact OD1-CA 3.46Å; D32-S34 WeakPolarHBondContact OD1-CB 3.27Å; D32-S34 PolarHBondContact OD1-N 2.82Å; D32-S34 PolarHBondContact OD1-OG 2.87Å; D32-S34 PolarHBondContact OD2-OG 3.24Å; S34-K41 WeakPolarHBondContact O-CE 3.33Å; S34-K41 WeakPolarHBondContact O-CG 3.39Å; S34-N42 VanDerWaalsContact CA-OD1 3.31Å; S34-N42 WeakPolarHBondContact CA-OD1 3.35Å
35	Q	86.6	Confident	82.5	Confident	163 Å²	163	90.4 Å²	90.4	76%	0.762	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	0.9	178.5	-57	-52	-48.2	0	0	113.3	C33	C33-Q35 VanDerWaalsContact C-N 3.26Å; C33-Q35 PolarHBondContact O-N 2.89Å
36	W	89.4	Confident	83.8	Confident	110 Å²	110	83.4 Å²	83.4	42%	0.417	42%	0.424	S	S	.	.			trans	-67.6	146.2	179.4	-74	16.4	0	0	0	111	C33 L40 K41	C33-W36 HydrophobicContact CB-CB 4.26Å; C33-W36 HydrophobicContact CB-CD2 3.6Å; C33-W36 HydrophobicContact CB-CE3 3.79Å; C33-W36 HydrophobicContact CB-CG 3.78Å; C33-W36 HydrophobicContact CB-CZ3 4.47Å; C33-W36 WeakPolarHBondContact O-CB 3.5Å; C33-W36 PolarHBondContact O-N 3.21Å; W36-L40 HydrophobicContact CB-CB 4.18Å; W36-L40 WeakPolarHBondContact CB-O 3.27Å; W36-L40 HydrophobicContact CE3-CB 4.01Å; W36-L40 HydrophobicContact CE3-CD1 4.44Å; W36-K41 WeakPolarHBondContact O-CA 3.38Å; W36-K41 VanDerWaalsContact O-CB 3.22Å; W36-K41 WeakPolarHBondContact O-CB 3.43Å; W36-K41 WeakPolarHBondContact O-CG 3.45Å
37	P	89.2	Confident	85	Confident	55 Å²	55	77.5 Å²	77.5	36%	0.357	39%	0.392	S	S	.	.			trans	-76.7	152.2	-171.7	30.5	-35.6	0	0	0	112.3	L39 L40 L63	P37-L39 PolarHBondContact O-N 3.3Å; P37-L40 WeakPolarHBondContact O-CB 3.4Å; P37-L40 PolarHBondContact O-N 3.42Å; P37-L63 HydrophobicContact CB-CD1 3.61Å; P37-L63 HydrophobicContact CG-CD1 3.84Å
38	L	93.7	Very high	86.2	Confident	24 Å²	24	72.3 Å²	72.3	13%	0.126	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	55.1	-128.4	164.5	-52.7	166.5	0	0	0	112.6	L40 K41 P62 L63 P272 E274 K275 I278	L38-L40 PolarHBondContact O-N 2.89Å; L38-K41 WeakPolarHBondContact O-CB 2.93Å; L38-K41 PolarHBondContact O-N 2.79Å; L38-P62 HydrophobicContact CD1-CB 3.76Å; L38-P62 HydrophobicContact CD1-CG 4.32Å; L38-L63 HydrophobicContact CD1-CD2 4.24Å; L38-L63 HydrophobicContact CD1-CG 4.12Å; L38-P272 HydrophobicContact CD1-CB 4.36Å; L38-P272 HydrophobicContact CD1-CG 3.44Å; L38-P272 VanDerWaalsContact CD1-CG 3.44Å; L38-P272 HydrophobicContact CD2-CG 4.22Å; L38-P272 HydrophobicContact CG-CG 4.46Å; L38-E274 HydrophobicContact CB-CB 4.29Å; L38-E274 HydrophobicContact CD1-CB 4.16Å; L38-K275 HydrophobicContact CD2-CB 4.1Å; L38-K275 HydrophobicContact CD2-CD 4Å; L38-I278 HydrophobicContact CD2-CD1 3.95Å
39	L	94.9	Very high	87.2	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-70.2	-17.5	-178.1	-62.7	-178.6	0	0	0	113.2	P37 K41 E274 L277 R282 V318 M320 A326	P37-L39 PolarHBondContact O-N 3.3Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-E274 HydrophobicContact CD1-CB 4.26Å; L39-E274 HydrophobicContact CD1-CG 3.87Å; L39-E274 HydrophobicContact CG-CB 4.22Å; L39-E274 HydrophobicContact CG-CG 4.3Å; L39-L277 HydrophobicContact CD2-CB 4.15Å; L39-R282 HydrophobicContact CD2-CG 4.33Å; L39-R282 WeakPolarHBondContact O-CD 3.38Å; L39-R282 PolarHBondContact O-NH1 2.7Å; L39-V318 HydrophobicContact CD1-CG2 4.18Å; L39-V318 HydrophobicContact CD2-CG1 4.12Å; L39-M320 HydrophobicContact CB-CE 3.76Å; L39-M320 HydrophobicContact CB-SD 3.75Å; L39-M320 HydrophobicContact CD1-CB 4.15Å; L39-M320 HydrophobicContact CD1-SD 4.45Å; L39-A326 HydrophobicContact CD1-CB 4.07Å
40	L	94.2	Very high	88.1	Confident	20 Å²	20	64 Å²	64	11%	0.105	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-83	-6.2	177.6	-72.7	-177.5	0	0	0	113.7	W36 P37 L38 N42 V43 M284 M320 K323	W36-L40 HydrophobicContact CB-CB 4.18Å; W36-L40 WeakPolarHBondContact CB-O 3.27Å; W36-L40 HydrophobicContact CE3-CB 4.01Å; W36-L40 HydrophobicContact CE3-CD1 4.44Å; P37-L40 WeakPolarHBondContact O-CB 3.4Å; P37-L40 PolarHBondContact O-N 3.42Å; L38-L40 PolarHBondContact O-N 2.89Å; L40-N42 PolarHBondContact O-N 2.73Å; L40-V43 HydrophobicContact CB-CG2 4.37Å; L40-V43 HydrophobicContact CD2-CG2 4.01Å; L40-V43 WeakPolarHBondContact O-CG2 3.31Å; L40-V43 PolarHBondContact O-N 3.25Å; L40-M284 HydrophobicContact CD2-CE 4.32Å; L40-M320 HydrophobicContact CD2-CE 3.75Å; L40-M320 HydrophobicContact CG-CE 4.45Å; L40-K323 WeakPolarHBondContact CD1-O 3.39Å
41	K	93.3	Very high	88.6	Confident	98 Å²	98	62.7 Å²	62.7	43%	0.426	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	133.1	176.3	-165.2	172.7	-175.2	174.7	0	111.1	S34 W36 L38 L39 V43 R282	S34-K41 WeakPolarHBondContact O-CE 3.33Å; S34-K41 WeakPolarHBondContact O-CG 3.39Å; W36-K41 WeakPolarHBondContact O-CA 3.38Å; W36-K41 VanDerWaalsContact O-CB 3.22Å; W36-K41 WeakPolarHBondContact O-CB 3.43Å; W36-K41 WeakPolarHBondContact O-CG 3.45Å; L38-K41 WeakPolarHBondContact O-CB 2.93Å; L38-K41 PolarHBondContact O-N 2.79Å; L39-K41 VanDerWaalsContact C-N 3.3Å; K41-V43 PolarHBondContact O-N 2.8Å; K41-R282 PolarHBondContact O-NH1 2.93Å
42	N	92.8	Very high	88.7	Confident	53 Å²	53	64.5 Å²	64.5	28%	0.283	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	26.5	177.6	-59.8	-30.3	0	0	0	114.9	C33 S34 L40 H44 L45	C33-N42 PolarHBondContact O-N 2.72Å; S34-N42 VanDerWaalsContact CA-OD1 3.31Å; S34-N42 WeakPolarHBondContact CA-OD1 3.35Å; L40-N42 PolarHBondContact O-N 2.73Å; N42-H44 PolarHBondContact O-N 3.18Å; N42-L45 HydrophobicContact CB-CD1 3.94Å; N42-L45 HydrophobicContact CB-CG 4.24Å; N42-L45 WeakPolarHBondContact O-CB 3.37Å; N42-L45 PolarHBondContact O-N 2.97Å
43	V	90.5	Very high	88.9	Confident	9 Å²	9	64 Å²	64	6%	0.055	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61.8	-23.9	178.5	165.2	0	0	0	0	113.2	L40 K41 L45 M46 M284 R306	L40-V43 HydrophobicContact CB-CG2 4.37Å; L40-V43 HydrophobicContact CD2-CG2 4.01Å; L40-V43 WeakPolarHBondContact O-CG2 3.31Å; L40-V43 PolarHBondContact O-N 3.25Å; K41-V43 PolarHBondContact O-N 2.8Å; V43-L45 PolarHBondContact O-N 2.86Å; V43-M46 HydrophobicContact CB-SD 4.3Å; V43-M46 HydrophobicContact CG1-SD 4.23Å; V43-M46 HydrophobicContact CG2-SD 3.95Å; V43-M46 WeakPolarHBondContact O-CB 3.29Å; V43-M46 PolarHBondContact O-N 3.45Å; V43-M284 HydrophobicContact CG1-CE 4.02Å; V43-M284 HydrophobicContact CG2-CE 4.32Å; V43-R306 PolarHBondContact O-NH1 3.19Å
44	H	88.2	Confident	88.5	Confident	63 Å²	63	72.4 Å²	72.4	29%	0.292	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-66.5	-19.7	173.3	66.7	-86.5	0	0	0	113.4	L31 D32 C33 N42	L31-H44 WeakPolarHBondContact O-CB 3.47Å; D32-H44 IonicContact OD1-CE1 3.96Å; D32-H44 PolarHBondContact OD1-CE1 3.44Å; D32-H44 IonicContact OD1-NE2 2.66Å; C33-H44 WeakPolarHBondContact CB-ND1 3.09Å; C33-H44 PolarHBondContact N-ND1 2.93Å; N42-H44 PolarHBondContact O-N 3.18Å
45	L	91.1	Very high	88	Confident	103 Å²	103	74.4 Å²	74.4	54%	0.539	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-87	-7	175.4	-57.3	-177.4	0	0	0	113.1	N42 V43	N42-L45 HydrophobicContact CB-CD1 3.94Å; N42-L45 HydrophobicContact CB-CG 4.24Å; N42-L45 WeakPolarHBondContact O-CB 3.37Å; N42-L45 PolarHBondContact O-N 2.97Å; V43-L45 PolarHBondContact O-N 2.86Å
46	M	94.4	Very high	87.6	Confident	7 Å²	7	68.2 Å²	68.2	3%	0.034	35%	0.346	C	S	.	.	S	Bend	trans	-74.7	147.2	178.1	-63.7	179.8	74.8	0	0	110.9	V43 R282 M284 R306 D308	V43-M46 HydrophobicContact CB-SD 4.3Å; V43-M46 HydrophobicContact CG1-SD 4.23Å; V43-M46 HydrophobicContact CG2-SD 3.95Å; V43-M46 WeakPolarHBondContact O-CB 3.29Å; V43-M46 PolarHBondContact O-N 3.45Å; M46-R282 HydrophobicContact CE-CB 4.04Å; M46-M284 HydrophobicContact CE-CB 4.41Å; M46-R306 HydrophobicContact CB-CB 4.17Å; M46-R306 HydrophobicContact CE-CB 4.04Å; M46-R306 HydrophobicContact SD-CB 4.48Å; M46-D308 WeakPolarHBondContact CG-OD1 3.4Å
47	N	94.8	Very high	87.4	Confident	43 Å²	43	69.2 Å²	69.2	23%	0.23	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	136	172.2	-63.3	-38.6	0	0	0	110.1	R306 Y307 N309 T336	N47-R306 WeakPolarHBondContact O-CA 3.47Å; N47-R306 WeakPolarHBondContact O-CB 3.46Å; N47-Y307 HydrophobicContact CB-CD1 4.21Å; N47-Y307 HydrophobicContact CB-CD2 4.05Å; N47-Y307 HydrophobicContact CB-CE1 3.79Å; N47-Y307 HydrophobicContact CB-CE2 3.66Å; N47-Y307 HydrophobicContact CB-CG 4.31Å; N47-Y307 VanDerWaalsContact CB-CZ 3.49Å; N47-Y307 PolarHBondContact N-O 3.23Å; N47-Y307 WeakPolarHBondContact ND2-CE2 3.28Å; N47-Y307 PolarHBondContact O-N 3.42Å; N47-Y307 VanDerWaalsContact O-N 3.09Å; N47-N309 PolarHBondContact ND2-OD1 3.36Å; N47-N309 PolarHBondContact OD1-OD1 3.09Å; N47-T336 WeakPolarHBondContact ND2-CG2 3.38Å
48	V	91.9	Very high	87.4	Confident	66 Å²	66	68.6 Å²	68.6	40%	0.4	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.2	177.9	-174.4	0	0	0	0	108.6	E50 C51	V48-E50 WeakPolarHBondContact CG1-O 3.39Å; V48-C51 VanDerWaalsContact CG1-SG 3.55Å
49	R	89.4	Confident	87.1	Confident	71 Å²	71	68 Å²	68	27%	0.268	36%	0.359	S	S	.	.	S	Bend	trans	-85.6	-43.9	171.3	-168.9	65.9	175.8	83.2	-4.8	110.5	V304 L305 Y307 I339 C342	R49-V304 HydrophobicContact CB-CG1 4.44Å; R49-L305 WeakPolarHBondContact CB-O 3.42Å; R49-L305 PolarHBondContact N-O 2.7Å; R49-Y307 HydrophobicContact CB-CD1 4.48Å; R49-Y307 HydrophobicContact CB-CE1 4.06Å; R49-I339 WeakPolarHBondContact CD-O 3.49Å; R49-I339 PolarHBondContact NE-O 3.19Å; R49-C342 PolarHBondContact NH2-O 3.2Å
50	E	82.9	Confident	86.9	Confident	68 Å²	68	73 Å²	73	32%	0.318	38%	0.379	S	S	.	.			trans	-137.3	136.4	177.9	-69.3	-175.2	-151.3	0	0	110.3	V48 K286 L305	V48-E50 WeakPolarHBondContact CG1-O 3.39Å; E50-K286 WeakPolarHBondContact OE1-CE 3.4Å; E50-K286 IonicContact OE1-NZ 3.54Å; E50-K286 PolarHBondContact OE1-NZ 2.82Å; E50-K286 WeakPolarHBondContact OE2-CE 3.42Å; E50-K286 IonicContact OE2-NZ 3.56Å; E50-K286 PolarHBondContact OE2-NZ 2.69Å; E50-L305 HydrophobicContact CB-CD1 4.22Å; E50-L305 PolarHBondContact N-O 3.06Å; E50-L305 VanDerWaalsContact O-CD1 3.29Å; E50-L305 WeakPolarHBondContact O-CD1 3.49Å
51	C	78.5	Confident	86.8	Confident	94 Å²	94	73.8 Å²	73.8	64%	0.635	39%	0.386	S	S	*	.	S	Bend	trans	-91.2	-28.3	176.1	-61.2	0	0	0	0	112.5	V48	V48-C51 VanDerWaalsContact CG1-SG 3.55Å
52	H	77.9	Confident	86.9	Confident	174 Å²	174	69.3 Å²	69.3	81%	0.806	37%	0.367	S	S	*	.			trans	-95.6	111.2	-171.9	-59	88.9	0	0	0	109.7
53	F	81	Confident	87	Confident	90 Å²	90	70 Å²	70	40%	0.395	37%	0.371	S	S	.	.			trans	-149.1	149.9	171.7	70.2	-79.2	0	0	0	109.4	A55 L305 T322	F53-A55 HydrophobicContact CD2-CB 4.45Å; F53-A55 HydrophobicContact CE2-CB 3.99Å; F53-L305 HydrophobicContact CB-CD1 3.95Å; F53-L305 HydrophobicContact CD1-CD1 3.62Å; F53-L305 HydrophobicContact CD1-CD2 3.75Å; F53-L305 HydrophobicContact CD1-CG 4.27Å; F53-L305 HydrophobicContact CD2-CD2 4.15Å; F53-L305 HydrophobicContact CE1-CD1 4.36Å; F53-L305 HydrophobicContact CE1-CD2 3.82Å; F53-L305 HydrophobicContact CE2-CD2 4.22Å; F53-L305 HydrophobicContact CG-CD1 3.91Å; F53-L305 HydrophobicContact CG-CD2 3.91Å; F53-L305 HydrophobicContact CZ-CD2 4.05Å; F53-T322 HydrophobicContact CD2-CG2 4.06Å; F53-T322 HydrophobicContact CE2-CG2 3.53Å; F53-T322 HydrophobicContact CZ-CG2 4.07Å
54	E	76.8	Confident	87.1	Confident	184 Å²	184	76.8 Å²	76.8	86%	0.86	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-95.8	116.8	170.1	-67.9	175.5	-178.8	0	0	107.5
55	A	76.7	Confident	87.4	Confident	66 Å²	66	74.4 Å²	74.4	55%	0.545	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-71.7	130.8	177	0	0	0	0	0	109.7	F53	F53-A55 HydrophobicContact CD2-CB 4.45Å; F53-A55 HydrophobicContact CE2-CB 3.99Å
56	D	79	Confident	87.6	Confident	33 Å²	33	72 Å²	72	18%	0.176	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-75.1	144.2	174.2	-155	-29.7	0	0	0	110.1	T58 D287 K323 Y360 P361	D56-T58 PolarHBondContact O-N 3.23Å; D56-T58 PolarHBondContact OD1-N 3.32Å; D56-T58 PolarHBondContact OD1-OG1 3.06Å; D56-T58 PolarHBondContact OD2-OG1 3.22Å; D56-D287 HydrophobicContact CB-CB 3.94Å; D56-D287 PolarHBondContact N-OD2 2.82Å; D56-K323 WeakPolarHBondContact O-CE 3.26Å; D56-K323 PolarHBondContact O-NZ 2.94Å; D56-Y360 HydrophobicContact CB-CD1 4.31Å; D56-Y360 HydrophobicContact CB-CE1 4.1Å; D56-P361 VanDerWaalsContact OD2-CD 3.25Å; D56-P361 WeakPolarHBondContact OD2-CD 3.27Å; D56-P361 WeakPolarHBondContact OD2-CG 3.42Å
57	T	83.9	Confident	87.7	Confident	131 Å²	131	72.2 Å²	72.2	80%	0.804	38%	0.381	S	S	*	.	S	Bend	trans	-71.9	-20.5	174.5	60.1	0	0	0	0	111.5	K323	T57-K323 VanDerWaalsContact C-NZ 3.32Å; T57-K323 PolarHBondContact O-NZ 3.27Å
58	T	88.6	Confident	87.6	Confident	42 Å²	42	74.6 Å²	74.6	26%	0.258	39%	0.394	S	S	.	.			trans	-70.4	146.7	178.9	57.3	0	0	0	0	114.4	D56 K323 Y360	D56-T58 PolarHBondContact O-N 3.23Å; D56-T58 PolarHBondContact OD1-N 3.32Å; D56-T58 PolarHBondContact OD1-OG1 3.06Å; D56-T58 PolarHBondContact OD2-OG1 3.22Å; T58-K323 VanDerWaalsContact C-NZ 3.29Å; T58-K323 PolarHBondContact O-NZ 3.43Å; T58-Y360 PolarHBondContact O-OH 3.42Å; T58-Y360 WeakPolarHBondContact OG1-CD1 3.21Å; T58-Y360 WeakPolarHBondContact OG1-CE1 3.39Å
59	G	88.1	Confident	87.8	Confident	11 Å²	11	73.6 Å²	73.6	11%	0.113	39%	0.385	C	S	.	.	S	Bend	trans	87	168.5	-179.7	0	0	0	0	0	113.1	K323	G59-K323 PolarHBondContact O-NZ 3.03Å
60	Y	91.3	Very high	88.1	Confident	107 Å²	107	70.5 Å²	70.5	42%	0.42	37%	0.374	S	S	.	.			trans	-133.8	145.6	-170.3	-57.2	-83.1	0	0	0	111.3	R65 P66 E325	Y60-R65 HydrophobicContact CD2-CG 4.45Å; Y60-R65 HydrophobicContact CG-CG 4.31Å; Y60-P66 HydrophobicContact CD1-CG 4.4Å; Y60-P66 HydrophobicContact CE1-CG 3.85Å; Y60-P66 HydrophobicContact CE2-CG 4.15Å; Y60-E325 PolarHBondContact N-OE1 2.91Å; Y60-E325 WeakPolarHBondContact O-CG 3.29Å
61	S	92.5	Very high	88.8	Confident	37 Å²	37	68.4 Å²	68.4	26%	0.259	36%	0.364	S	S	.	.			trans	-58.8	136.8	163.8	-174.5	0	0	0	0	109.3	L63 H64 R65	S61-L63 PolarHBondContact O-N 3.35Å; S61-H64 CarbonylContact O-C 3.59Å; S61-H64 PolarHBondContact O-N 3.4Å; S61-R65 PolarHBondContact O-N 3.2Å
62	P	95.2	Very high	89.7	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.019	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-52.2	-34.8	-171	-30.9	34.2	0	0	0	115.8	L38 Y70 P272 E274 K323 G324 E325	L38-P62 HydrophobicContact CD1-CB 3.76Å; L38-P62 HydrophobicContact CD1-CG 4.32Å; P62-Y70 WeakPolarHBondContact O-CD2 3.4Å; P62-Y70 WeakPolarHBondContact O-CE2 3.48Å; P62-P272 HydrophobicContact CB-CB 3.93Å; P62-P272 HydrophobicContact CB-CG 4.28Å; P62-E274 HydrophobicContact CB-CG 4.23Å; P62-E274 HydrophobicContact CG-CB 4.48Å; P62-E274 HydrophobicContact CG-CG 3.8Å; P62-K323 WeakPolarHBondContact CD-O 3.33Å; P62-G324 WeakPolarHBondContact CG-O 3.39Å; P62-E325 HydrophobicContact CG-CG 4.46Å
63	L	94.1	Very high	90.5	Very high	69 Å²	69	58.5 Å²	58.5	36%	0.361	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-80.3	-21.7	178.9	-65.1	177.1	0	0	0	113.6	P37 L38 S61 R267 P272	P37-L63 HydrophobicContact CB-CD1 3.61Å; P37-L63 HydrophobicContact CG-CD1 3.84Å; L38-L63 HydrophobicContact CD1-CD2 4.24Å; L38-L63 HydrophobicContact CD1-CG 4.12Å; S61-L63 PolarHBondContact O-N 3.35Å; L63-R267 PolarHBondContact O-NH1 2.93Å; L63-P272 HydrophobicContact CD2-CG 3.98Å
64	H	93	Very high	91.3	Very high	151 Å²	151	54.2 Å²	54.2	70%	0.699	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-105.1	17.7	-177.3	-66.5	-70.5	0	0	0	113	S61	S61-H64 CarbonylContact O-C 3.59Å; S61-H64 PolarHBondContact O-N 3.4Å
65	R	94.7	Very high	92.3	Very high	13 Å²	13	45.4 Å²	45.4	5%	0.049	25%	0.249	C	C	.	.	S	Bend	trans	-62.2	143.8	171.1	-73.8	170.3	-178.8	143.7	2.1	110.5	Y60 S61 E69 Y70 R267 E274	Y60-R65 HydrophobicContact CD2-CG 4.45Å; Y60-R65 HydrophobicContact CG-CG 4.31Å; S61-R65 PolarHBondContact O-N 3.2Å; R65-E69 HydrophobicContact CB-CB 4.49Å; R65-Y70 HydrophobicContact CB-CD2 4.26Å; R65-R267 PolarHBondContact O-NH1 3.47Å; R65-R267 VanDerWaalsContact O-NH1 3.1Å; R65-R267 PolarHBondContact O-NH2 3.39Å; R65-E274 IonicContact CZ-OE1 3.04Å; R65-E274 IonicContact CZ-OE2 3.65Å; R65-E274 IonicContact NH1-OE1 3.53Å; R65-E274 IonicContact NH1-OE2 2.73Å; R65-E274 PolarHBondContact NH1-OE2 3.46Å; R65-E274 IonicContact NH2-OE1 2.87Å; R65-E274 PolarHBondContact NH2-OE1 2.86Å; R65-E274 IonicContact NH2-OE2 3.69Å
66	P	95.5	Very high	93.3	Very high	52 Å²	52	42.3 Å²	42.3	34%	0.338	22%	0.223	S	C	.	.			trans	-50	143.8	161.9	-23.6	33.4	0	0	0	109.9	Y60 D68 E69 Y70	Y60-P66 HydrophobicContact CD1-CG 4.4Å; Y60-P66 HydrophobicContact CE1-CG 3.85Å; Y60-P66 HydrophobicContact CE2-CG 4.15Å; P66-D68 VanDerWaalsContact C-N 3.3Å; P66-D68 PolarHBondContact O-N 2.86Å; P66-E69 PolarHBondContact O-N 2.86Å; P66-E69 VanDerWaalsContact O-N 3.09Å; P66-Y70 WeakPolarHBondContact O-CB 2.96Å; P66-Y70 PolarHBondContact O-N 3.42Å
67	L	95.1	Very high	94.2	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-55.8	-43.6	-168.4	-174.6	68.6	0	0	0	113.3	E69 Y70 I71 Y257 E263 L266 R267	L67-E69 VanDerWaalsContact C-N 3.35Å; L67-E69 PolarHBondContact O-N 3.1Å; L67-Y70 WeakPolarHBondContact O-CB 3.47Å; L67-Y70 PolarHBondContact O-N 3.34Å; L67-Y70 VanDerWaalsContact O-N 3.12Å; L67-I71 HydrophobicContact CD1-CD1 4.22Å; L67-I71 HydrophobicContact CD1-CG1 4.3Å; L67-I71 HydrophobicContact CD2-CD1 4.29Å; L67-I71 HydrophobicContact CG-CD1 3.86Å; L67-I71 HydrophobicContact CG-CG1 4.3Å; L67-I71 WeakPolarHBondContact O-CG1 3.41Å; L67-I71 PolarHBondContact O-N 3.16Å; L67-Y257 HydrophobicContact CD2-CD2 3.74Å; L67-Y257 HydrophobicContact CD2-CE1 4.09Å; L67-Y257 HydrophobicContact CD2-CE2 3.22Å; L67-Y257 HydrophobicContact CD2-CG 4.35Å; L67-Y257 VanDerWaalsContact CD2-CZ 3.42Å; L67-E263 WeakPolarHBondContact CB-OE1 3.46Å; L67-E263 HydrophobicContact CD1-CB 4.21Å; L67-E263 HydrophobicContact CD1-CG 4.39Å; L67-E263 HydrophobicContact CD2-CB 4.45Å; L67-E263 HydrophobicContact CD2-CG 3.89Å; L67-L266 HydrophobicContact CD2-CD1 4.27Å; L67-R267 HydrophobicContact CD1-CG 4.25Å
68	D	94.6	Very high	94.9	Very high	94 Å²	94	34.5 Å²	34.5	50%	0.503	18%	0.177	S	C	.	.	H	α-helix	trans	-56.7	-48.1	178.4	178	53	0	0	0	111.8	P66 Y70 I71 K72	P66-D68 VanDerWaalsContact C-N 3.3Å; P66-D68 PolarHBondContact O-N 2.86Å; D68-Y70 VanDerWaalsContact C-N 3.33Å; D68-Y70 PolarHBondContact O-N 3.1Å; D68-I71 PolarHBondContact O-N 2.9Å; D68-K72 WeakPolarHBondContact O-CB 3.38Å; D68-K72 WeakPolarHBondContact O-CG 3.4Å; D68-K72 PolarHBondContact O-N 2.96Å; D68-K72 WeakPolarHBondContact OD1-CE 3.45Å; D68-K72 IonicContact OD1-NZ 3.46Å; D68-K72 WeakPolarHBondContact OD2-CE 3.49Å; D68-K72 IonicContact OD2-NZ 2.67Å; D68-K72 PolarHBondContact OD2-NZ 3.35Å
69	E	94.4	Very high	95.4	Very high	44 Å²	44	34.3 Å²	34.3	21%	0.206	17%	0.174	C	C	.	.	H	α-helix	trans	-69.9	-30.7	176.9	-68.7	-62.8	118.9	0	0	112.7	R65 P66 L67 K72 S73 R122	R65-E69 HydrophobicContact CB-CB 4.49Å; P66-E69 PolarHBondContact O-N 2.86Å; P66-E69 VanDerWaalsContact O-N 3.09Å; L67-E69 VanDerWaalsContact C-N 3.35Å; L67-E69 PolarHBondContact O-N 3.1Å; E69-K72 WeakPolarHBondContact OE1-CD 3.17Å; E69-K72 IonicContact OE1-NZ 3.44Å; E69-K72 PolarHBondContact OE1-NZ 3.04Å; E69-S73 WeakPolarHBondContact O-CB 3.42Å; E69-S73 PolarHBondContact O-N 2.75Å; E69-S73 VanDerWaalsContact O-N 3.16Å; E69-S73 PolarHBondContact O-OG 2.81Å; E69-R122 PolarHBondContact O-NH2 3.42Å; E69-R122 IonicContact OE1-NH1 3.66Å; E69-R122 IonicContact OE1-NH2 2.62Å; E69-R122 IonicContact OE2-CZ 2.79Å; E69-R122 IonicContact OE2-NH1 2.78Å; E69-R122 PolarHBondContact OE2-NH1 3.18Å; E69-R122 IonicContact OE2-NH2 3.32Å; E69-R122 PolarHBondContact OE2-NH2 3.24Å
70	Y	96.9	Very high	95.8	Very high	6 Å²	6	33.8 Å²	33.8	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-48.4	174	-174.3	-94	0	0	0	111.1	P62 R65 P66 L67 D68 S73 G74 R267 I270 P272	P62-Y70 WeakPolarHBondContact O-CD2 3.4Å; P62-Y70 WeakPolarHBondContact O-CE2 3.48Å; R65-Y70 HydrophobicContact CB-CD2 4.26Å; P66-Y70 WeakPolarHBondContact O-CB 2.96Å; P66-Y70 PolarHBondContact O-N 3.42Å; L67-Y70 WeakPolarHBondContact O-CB 3.47Å; L67-Y70 PolarHBondContact O-N 3.34Å; L67-Y70 VanDerWaalsContact O-N 3.12Å; D68-Y70 VanDerWaalsContact C-N 3.33Å; D68-Y70 PolarHBondContact O-N 3.1Å; Y70-S73 CarbonylContact O-C 3.59Å; Y70-S73 PolarHBondContact O-N 3.19Å; Y70-G74 PolarHBondContact O-N 3.4Å; Y70-G74 VanDerWaalsContact O-N 3.14Å; Y70-R267 HydrophobicContact CD1-CG 4.4Å; Y70-R267 HydrophobicContact CE1-CB 4.39Å; Y70-R267 HydrophobicContact CE1-CG 4.16Å; Y70-R267 PolarHBondContact OH-O 3.38Å; Y70-I270 HydrophobicContact CD1-CG2 4.29Å; Y70-I270 HydrophobicContact CE1-CB 4.06Å; Y70-I270 HydrophobicContact CE1-CG2 3.97Å; Y70-I270 WeakPolarHBondContact CE1-O 3.21Å; Y70-I270 VanDerWaalsContact CZ-O 3.26Å; Y70-I270 PolarHBondContact OH-O 2.8Å; Y70-P272 HydrophobicContact CE2-CB 4.28Å; Y70-P272 HydrophobicContact CE2-CG 4.48Å; Y70-P272 WeakPolarHBondContact OH-CD 3.38Å
71	I	97.4	Very high	96.1	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.128	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-46.5	178.4	-66.5	172.4	0	0	0	110.6	L67 D68 S73 G74 V99 I120 I270	L67-I71 HydrophobicContact CD1-CD1 4.22Å; L67-I71 HydrophobicContact CD1-CG1 4.3Å; L67-I71 HydrophobicContact CD2-CD1 4.29Å; L67-I71 HydrophobicContact CG-CD1 3.86Å; L67-I71 HydrophobicContact CG-CG1 4.3Å; L67-I71 WeakPolarHBondContact O-CG1 3.41Å; L67-I71 PolarHBondContact O-N 3.16Å; D68-I71 PolarHBondContact O-N 2.9Å; I71-S73 PolarHBondContact O-N 3.3Å; I71-G74 WeakPolarHBondContact O-CA 3.41Å; I71-G74 PolarHBondContact O-N 3.21Å; I71-V99 HydrophobicContact CG2-CG1 3.59Å; I71-I120 HydrophobicContact CG2-CD1 4.41Å; I71-I120 HydrophobicContact CG2-CG2 4.23Å; I71-I120 WeakPolarHBondContact O-CB 3.49Å; I71-I120 VanDerWaalsContact O-CG2 3.25Å; I71-I120 WeakPolarHBondContact O-CG2 3.28Å; I71-I270 HydrophobicContact CB-CD1 4.5Å; I71-I270 HydrophobicContact CG1-CD1 3.85Å; I71-I270 HydrophobicContact CG2-CD1 4.31Å
72	K	96.5	Very high	96.3	Very high	52 Å²	52	32 Å²	32	23%	0.226	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-28.8	177.3	-75.2	167.5	177.5	166.1	0	113.2	D68 E69 I120 D121 R122	D68-K72 WeakPolarHBondContact O-CB 3.38Å; D68-K72 WeakPolarHBondContact O-CG 3.4Å; D68-K72 PolarHBondContact O-N 2.96Å; D68-K72 WeakPolarHBondContact OD1-CE 3.45Å; D68-K72 IonicContact OD1-NZ 3.46Å; D68-K72 WeakPolarHBondContact OD2-CE 3.49Å; D68-K72 IonicContact OD2-NZ 2.67Å; D68-K72 PolarHBondContact OD2-NZ 3.35Å; E69-K72 WeakPolarHBondContact OE1-CD 3.17Å; E69-K72 IonicContact OE1-NZ 3.44Å; E69-K72 PolarHBondContact OE1-NZ 3.04Å; K72-I120 VanDerWaalsContact O-O 3.08Å; K72-D121 HydrophobicContact CB-CB 4.25Å; K72-D121 HydrophobicContact CG-CB 4.38Å; K72-R122 VanDerWaalsContact CB-CZ 3.47Å; K72-R122 VanDerWaalsContact O-CB 3.32Å; K72-R122 WeakPolarHBondContact O-CB 3.37Å; K72-R122 PolarHBondContact O-N 3.23Å
73	S	96	Very high	96.3	Very high	7 Å²	7	37.8 Å²	37.8	5%	0.049	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	21.2	173.9	-67.2	0	0	0	0	112.8	E69 Y70 I71 R122 L273	E69-S73 WeakPolarHBondContact O-CB 3.42Å; E69-S73 PolarHBondContact O-N 2.75Å; E69-S73 VanDerWaalsContact O-N 3.16Å; E69-S73 PolarHBondContact O-OG 2.81Å; Y70-S73 CarbonylContact O-C 3.59Å; Y70-S73 PolarHBondContact O-N 3.19Å; I71-S73 PolarHBondContact O-N 3.3Å; S73-R122 PolarHBondContact OG-NE 3.42Å; S73-R122 PolarHBondContact OG-NH2 3.06Å; S73-R122 VanDerWaalsContact OG-NH2 3.08Å; S73-L273 WeakPolarHBondContact O-CB 3.31Å; S73-L273 PolarHBondContact O-N 2.91Å
74	G	97.3	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	148.5	-169.1	0	0	0	0	0	114.8	Y70 I71 I120 A123 I270 M271	Y70-G74 PolarHBondContact O-N 3.4Å; Y70-G74 VanDerWaalsContact O-N 3.14Å; I71-G74 WeakPolarHBondContact O-CA 3.41Å; I71-G74 PolarHBondContact O-N 3.21Å; G74-I120 PolarHBondContact O-N 3.2Å; G74-A123 WeakPolarHBondContact O-CB 3.44Å; G74-I270 VanDerWaalsContact CA-CG2 3.45Å; G74-M271 CarbonylContact C-O 3.52Å; G74-M271 WeakPolarHBondContact CA-O 3.34Å
75	V	97.8	Very high	96.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.8	170	-59.8	0	0	0	0	109.5	V118 A123 M271 L273 L276	V75-V118 CarbonylContact C-O 3.59Å; V75-V118 WeakPolarHBondContact CA-O 3.5Å; V75-A123 HydrophobicContact CG1-CB 3.71Å; V75-M271 HydrophobicContact CG2-CB 3.94Å; V75-M271 WeakPolarHBondContact CG2-O 3.38Å; V75-M271 PolarHBondContact N-O 3.14Å; V75-M271 PolarHBondContact O-N 2.83Å; V75-L273 HydrophobicContact CG1-CB 3.96Å; V75-L276 HydrophobicContact CB-CD1 4.28Å; V75-L276 HydrophobicContact CB-CG 4.48Å; V75-L276 HydrophobicContact CG1-CD1 3.66Å; V75-L276 HydrophobicContact CG1-CG 4.19Å; V75-L276 HydrophobicContact CG2-CG 4.19Å
76	I	98.3	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.4	179.5	-61.2	174.3	0	0	0	107.6	L78 V93 L97 I117 V118 I120 V245 I250 I270	I76-L78 HydrophobicContact CG2-CB 4.32Å; I76-L78 PolarHBondContact O-N 3.35Å; I76-V93 HydrophobicContact CD1-CG1 4.03Å; I76-L97 HydrophobicContact CD1-CD1 3.73Å; I76-I117 CarbonylContact O-C 3.54Å; I76-I117 VanDerWaalsContact O-CA 3.27Å; I76-I117 WeakPolarHBondContact O-CA 3.42Å; I76-V118 HydrophobicContact CB-CB 4.36Å; I76-V118 PolarHBondContact N-O 3.46Å; I76-V118 PolarHBondContact O-N 3.5Å; I76-I120 HydrophobicContact CD1-CD1 3.99Å; I76-I120 HydrophobicContact CG1-CD1 4.35Å; I76-V245 HydrophobicContact CG2-CG2 3.37Å; I76-I250 HydrophobicContact CD1-CD1 4.17Å; I76-I250 HydrophobicContact CG2-CD1 4.12Å; I76-I270 HydrophobicContact CD1-CG1 4.04Å; I76-I270 HydrophobicContact CG1-CG1 4.03Å
77	N	97.9	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	92.6	169.4	-172.4	23.7	0	0	0	108.4	M238 S239 D242 L244 V245 M271	N77-M238 HydrophobicContact CB-CE 3.48Å; N77-M238 VanDerWaalsContact CB-CE 3.48Å; N77-M238 HydrophobicContact CB-SD 3.96Å; N77-S239 PolarHBondContact ND2-O 2.85Å; N77-D242 PolarHBondContact ND2-O 3.27Å; N77-L244 WeakPolarHBondContact O-CA 3.47Å; N77-V245 WeakPolarHBondContact O-CG2 3.3Å; N77-V245 PolarHBondContact O-N 3.19Å; N77-M271 HydrophobicContact CB-CE 4.06Å
78	L	98.4	Very high	96.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.6	-172.5	-176.5	69	0	0	0	110.7	I76 K80 V89 V93 C115 L116 V118 V245 M247 I250	I76-L78 HydrophobicContact CG2-CB 4.32Å; I76-L78 PolarHBondContact O-N 3.35Å; L78-K80 PolarHBondContact O-N 2.91Å; L78-V89 HydrophobicContact CD2-CG1 3.16Å; L78-V89 HydrophobicContact CG-CG1 4.43Å; L78-V93 HydrophobicContact CD2-CG2 4.1Å; L78-C115 CarbonylContact O-C 3.51Å; L78-L116 VanDerWaalsContact CB-O 3.32Å; L78-L116 WeakPolarHBondContact CB-O 3.32Å; L78-L116 PolarHBondContact N-O 2.89Å; L78-L116 PolarHBondContact O-N 2.9Å; L78-V118 HydrophobicContact CB-CG2 4.19Å; L78-V118 HydrophobicContact CD2-CG2 4.14Å; L78-V245 CarbonylContact C-O 3.57Å; L78-V245 WeakPolarHBondContact CA-O 3.3Å; L78-V245 WeakPolarHBondContact CD1-O 3.41Å; L78-M247 HydrophobicContact CD1-CG 4.21Å; L78-M247 HydrophobicContact CD1-SD 3.92Å; L78-M247 HydrophobicContact CD2-SD 4.02Å; L78-I250 HydrophobicContact CD1-CD1 3.73Å
79	D	98.3	Very high	96.8	Very high	39 Å²	39	31.7 Å²	31.7	21%	0.209	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	96.4	160.6	-156	-16.6	0	0	0	108	P81 G114 R231 L244 V245	D79-P81 WeakPolarHBondContact O-CD 3.48Å; D79-G114 WeakPolarHBondContact OD1-CA 3.2Å; D79-G114 PolarHBondContact OD1-N 3.14Å; D79-R231 IonicContact OD1-CZ 2.82Å; D79-R231 IonicContact OD1-NH1 3.52Å; D79-R231 PolarHBondContact OD1-NH1 3.4Å; D79-R231 IonicContact OD1-NH2 3.38Å; D79-R231 IonicContact OD2-CZ 2.7Å; D79-R231 IonicContact OD2-NH1 3.52Å; D79-R231 PolarHBondContact OD2-NH1 2.84Å; D79-R231 IonicContact OD2-NH2 3.51Å; D79-R231 PolarHBondContact OD2-NH2 3.48Å; D79-L244 HydrophobicContact CB-CD1 4.18Å; D79-L244 HydrophobicContact CB-CD2 3.65Å; D79-L244 HydrophobicContact CB-CG 3.77Å; D79-L244 VanDerWaalsContact OD2-CD2 3.32Å; D79-L244 WeakPolarHBondContact OD2-CD2 3.28Å; D79-V245 PolarHBondContact N-O 3.08Å
80	K	97.8	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	124.1	176.6	-177	-160.5	160.6	-72	0	107.9	L78 P84 V89 L108 D109 P110 V112 S113 G114 L116	L78-K80 PolarHBondContact O-N 2.91Å; K80-P84 WeakPolarHBondContact CE-O 3.43Å; K80-P84 PolarHBondContact NZ-O 3.39Å; K80-V89 HydrophobicContact CG-CG2 4.22Å; K80-L108 HydrophobicContact CB-CD1 4.18Å; K80-L108 HydrophobicContact CD-CB 3.72Å; K80-L108 HydrophobicContact CD-CD1 3.76Å; K80-L108 HydrophobicContact CD-CG 4.32Å; K80-D109 PolarHBondContact NZ-O 3.41Å; K80-P110 PolarHBondContact NZ-O 3.07Å; K80-V112 PolarHBondContact NZ-O 3.26Å; K80-S113 WeakPolarHBondContact O-CA 3.41Å; K80-S113 WeakPolarHBondContact O-CB 3.45Å; K80-G114 PolarHBondContact N-O 3.16Å; K80-G114 PolarHBondContact O-N 2.8Å; K80-L116 HydrophobicContact CB-CB 4.11Å; K80-L116 HydrophobicContact CB-CD2 4.31Å; K80-L116 HydrophobicContact CD-CD2 4.41Å; K80-L116 HydrophobicContact CG-CD2 4.39Å
81	P	97	Very high	97	Very high	57 Å²	57	31.8 Å²	31.8	37%	0.37	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-71.4	162.8	174.6	29.8	-34.2	0	0	0	111.7	D79 P84	D79-P81 WeakPolarHBondContact O-CD 3.48Å; P81-P84 HydrophobicContact CG-CG 3.8Å
82	C	96.5	Very high	97	Very high	49 Å²	49	36 Å²	36	33%	0.331	19%	0.191	S	C	.	.	S	Bend	trans	-70	147.6	169.2	-65.5	0	0	0	0	110.9	P84 K111	C82-P84 WeakPolarHBondContact O-CD 3.41Å; C82-K111 PolarHBondContact SG-O 3.05Å
83	N	95.8	Very high	97.1	Very high	125 Å²	125	33.6 Å²	33.6	67%	0.668	18%	0.18	S	C	*	.	S	Bend	trans	93.7	-48.8	177.8	-53.2	-40.8	0	0	0	117.4	P110	N83-P110 WeakPolarHBondContact CA-O 3.17Å; N83-P110 PolarHBondContact N-O 2.93Å; N83-P110 WeakPolarHBondContact O-CB 3.34Å
84	P	96.5	Very high	97.2	Very high	17 Å²	17	37.5 Å²	37.5	11%	0.11	20%	0.196	C	C	.	.	S	Bend	trans	-75.1	148.6	175.8	31.1	-32.1	0	0	0	110.3	K80 P81 C82 V89 W92	K80-P84 WeakPolarHBondContact CE-O 3.43Å; K80-P84 PolarHBondContact NZ-O 3.39Å; P81-P84 HydrophobicContact CG-CG 3.8Å; C82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-V89 HydrophobicContact CB-CG2 3.78Å; P84-V89 HydrophobicContact CG-CG2 3.58Å; P84-W92 HydrophobicContact CB-CH2 3.77Å; P84-W92 HydrophobicContact CB-CZ3 3.89Å; P84-W92 HydrophobicContact CG-CH2 4.37Å; P84-W92 HydrophobicContact CG-CZ3 4.11Å
85	S	95.5	Very high	97.2	Very high	31 Å²	31	45.8 Å²	45.8	22%	0.217	23%	0.228	C	C	.	.			trans	-66.7	158.1	170.1	72.1	0	0	0	0	110.7	H87 E88 V89	S85-H87 PolarHBondContact O-N 3Å; S85-E88 VanDerWaalsContact CB-OE2 3.27Å; S85-E88 WeakPolarHBondContact CB-OE2 3.37Å; S85-E88 PolarHBondContact N-OE2 3.22Å; S85-E88 PolarHBondContact O-N 3.4Å; S85-E88 VanDerWaalsContact OG-CD 3.31Å; S85-E88 VanDerWaalsContact OG-CG 3.29Å; S85-E88 WeakPolarHBondContact OG-CG 3.37Å; S85-E88 PolarHBondContact OG-N 3.04Å; S85-E88 PolarHBondContact OG-OE2 2.93Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.45Å
86	S	95.7	Very high	97.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-30.8	174.8	-60.1	0	0	0	0	113.1	V90 L108	S86-V90 WeakPolarHBondContact O-CB 3.35Å; S86-V90 WeakPolarHBondContact O-CG2 3.45Å; S86-V90 PolarHBondContact O-N 3.19Å; S86-V90 VanDerWaalsContact O-N 3.08Å; S86-L108 PolarHBondContact OG-N 3.15Å; S86-L108 PolarHBondContact OG-O 2.99Å
87	H	95	Very high	97	Very high	119 Å²	119	47.4 Å²	47.4	55%	0.551	24%	0.239	S	C	*	.	H	α-helix	trans	-72.2	-42.4	-178.8	-69.3	93.7	0	0	0	111.9	S85 V89 V90 A91 H104	S85-H87 PolarHBondContact O-N 3Å; H87-V89 PolarHBondContact O-N 3.48Å; H87-V90 PolarHBondContact O-N 3.11Å; H87-A91 WeakPolarHBondContact O-CB 3.3Å; H87-A91 PolarHBondContact O-N 3.06Å; H87-H104 AromaticContact NE2-NE2 3.74Å
88	E	97.1	Very high	96.9	Very high	94 Å²	94	50.5 Å²	50.5	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-48.4	175.5	-73	161.9	136.5	0	0	110.9	S85 V90 A91 W92	S85-E88 VanDerWaalsContact CB-OE2 3.27Å; S85-E88 WeakPolarHBondContact CB-OE2 3.37Å; S85-E88 PolarHBondContact N-OE2 3.22Å; S85-E88 PolarHBondContact O-N 3.4Å; S85-E88 VanDerWaalsContact OG-CD 3.31Å; S85-E88 VanDerWaalsContact OG-CG 3.29Å; S85-E88 WeakPolarHBondContact OG-CG 3.37Å; S85-E88 PolarHBondContact OG-N 3.04Å; S85-E88 PolarHBondContact OG-OE2 2.93Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 3.35Å; E88-A91 WeakPolarHBondContact O-CB 3.12Å; E88-A91 PolarHBondContact O-N 2.89Å; E88-A91 VanDerWaalsContact O-N 3.14Å; E88-W92 HydrophobicContact CB-CZ2 4.25Å; E88-W92 PolarHBondContact O-N 2.86Å
89	V	97.6	Very high	96.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-45.8	178.8	176.3	0	0	0	0	111.3	L78 K80 P84 S85 H87 A91 W92 V93 M247	L78-V89 HydrophobicContact CD2-CG1 3.16Å; L78-V89 HydrophobicContact CG-CG1 4.43Å; K80-V89 HydrophobicContact CG-CG2 4.22Å; P84-V89 HydrophobicContact CB-CG2 3.78Å; P84-V89 HydrophobicContact CG-CG2 3.58Å; S85-V89 WeakPolarHBondContact O-CG2 3.44Å; S85-V89 PolarHBondContact O-N 3.45Å; H87-V89 PolarHBondContact O-N 3.48Å; V89-A91 VanDerWaalsContact C-N 3.31Å; V89-A91 PolarHBondContact O-N 2.91Å; V89-W92 HydrophobicContact CG2-CE3 4.26Å; V89-W92 HydrophobicContact CG2-CZ3 4.22Å; V89-W92 WeakPolarHBondContact O-CB 3.16Å; V89-W92 PolarHBondContact O-N 3.22Å; V89-V93 WeakPolarHBondContact O-CG2 3.29Å; V89-V93 PolarHBondContact O-N 3.3Å; V89-M247 HydrophobicContact CG1-CG 4.49Å; V89-M247 HydrophobicContact CG1-SD 3.99Å
90	V	97	Very high	96.7	Very high	10 Å²	10	55.3 Å²	55.3	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-34.3	178.2	170.4	0	0	0	0	112	S86 H87 E88 V93 K94 T102 H104 L116 V118	S86-V90 WeakPolarHBondContact O-CB 3.35Å; S86-V90 WeakPolarHBondContact O-CG2 3.45Å; S86-V90 PolarHBondContact O-N 3.19Å; S86-V90 VanDerWaalsContact O-N 3.08Å; H87-V90 PolarHBondContact O-N 3.11Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 3.35Å; V90-V93 PolarHBondContact O-N 3.43Å; V90-K94 PolarHBondContact O-N 3.24Å; V90-T102 WeakPolarHBondContact CG1-OG1 3.48Å; V90-T102 PolarHBondContact O-OG1 3.18Å; V90-H104 HydrophobicContact CG2-CB 3.81Å; V90-L116 HydrophobicContact CG2-CD2 4.14Å; V90-V118 HydrophobicContact CG1-CG1 4.39Å; V90-V118 HydrophobicContact CG2-CG1 4.44Å; V90-V118 HydrophobicContact CG2-CG2 4.04Å
91	A	97.8	Very high	96.7	Very high	42 Å²	42	61.1 Å²	61.1	35%	0.347	32%	0.322	S	S	.	.	H	α-helix	trans	-69.2	-36.7	173.8	0	0	0	0	0	111.8	H87 E88 V89 K94 R95	H87-A91 WeakPolarHBondContact O-CB 3.3Å; H87-A91 PolarHBondContact O-N 3.06Å; E88-A91 WeakPolarHBondContact O-CB 3.12Å; E88-A91 PolarHBondContact O-N 2.89Å; E88-A91 VanDerWaalsContact O-N 3.14Å; V89-A91 VanDerWaalsContact C-N 3.31Å; V89-A91 PolarHBondContact O-N 2.91Å; A91-K94 PolarHBondContact O-N 2.83Å; A91-R95 PolarHBondContact O-N 3.1Å
92	W	98.1	Very high	96.7	Very high	115 Å²	115	59.8 Å²	59.8	44%	0.436	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-44.5	172.2	-60.8	-21.6	0	0	0	111.6	P84 E88 V89 K94 R95 A96 M247	P84-W92 HydrophobicContact CB-CH2 3.77Å; P84-W92 HydrophobicContact CB-CZ3 3.89Å; P84-W92 HydrophobicContact CG-CH2 4.37Å; P84-W92 HydrophobicContact CG-CZ3 4.11Å; E88-W92 HydrophobicContact CB-CZ2 4.25Å; E88-W92 PolarHBondContact O-N 2.86Å; V89-W92 HydrophobicContact CG2-CE3 4.26Å; V89-W92 HydrophobicContact CG2-CZ3 4.22Å; V89-W92 WeakPolarHBondContact O-CB 3.16Å; V89-W92 PolarHBondContact O-N 3.22Å; W92-K94 VanDerWaalsContact C-N 3.32Å; W92-K94 PolarHBondContact O-N 3.28Å; W92-R95 PolarHBondContact O-N 3.09Å; W92-A96 VanDerWaalsContact O-CB 3.3Å; W92-A96 WeakPolarHBondContact O-CB 3.41Å; W92-A96 PolarHBondContact O-N 3.43Å; W92-M247 HydrophobicContact CB-CE 3.69Å
93	V	97.9	Very high	96.7	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.5	-44.9	174	174.3	0	0	0	0	111.1	I76 L78 V89 V90 R95 A96 L97 V118 M247 I250	I76-V93 HydrophobicContact CD1-CG1 4.03Å; L78-V93 HydrophobicContact CD2-CG2 4.1Å; V89-V93 WeakPolarHBondContact O-CG2 3.29Å; V89-V93 PolarHBondContact O-N 3.3Å; V90-V93 PolarHBondContact O-N 3.43Å; V93-R95 VanDerWaalsContact C-N 3.34Å; V93-R95 PolarHBondContact O-N 3.35Å; V93-A96 PolarHBondContact O-N 3.41Å; V93-L97 HydrophobicContact CG1-CD1 3.91Å; V93-L97 PolarHBondContact O-N 2.79Å; V93-V118 HydrophobicContact CG1-CG1 4.19Å; V93-M247 HydrophobicContact CG2-CE 4.01Å; V93-M247 HydrophobicContact CG2-SD 3.51Å; V93-M247 VanDerWaalsContact CG2-SD 3.51Å; V93-I250 HydrophobicContact CG1-CD1 4.41Å; V93-I250 HydrophobicContact CG2-CD1 3.82Å
94	K	98.1	Very high	96.7	Very high	89 Å²	89	52.7 Å²	52.7	39%	0.387	28%	0.275	S	S	.	.	H	α-helix	trans	-55.9	-48.4	176.9	-179.2	178.9	162.2	170.9	0	111.6	V90 A91 W92 G98 V99 N100 T102	V90-K94 PolarHBondContact O-N 3.24Å; A91-K94 PolarHBondContact O-N 2.83Å; W92-K94 VanDerWaalsContact C-N 3.32Å; W92-K94 PolarHBondContact O-N 3.28Å; K94-G98 PolarHBondContact O-N 3.5Å; K94-G98 VanDerWaalsContact O-N 3.08Å; K94-V99 HydrophobicContact CB-CG2 4.41Å; K94-V99 VanDerWaalsContact CE-O 3.29Å; K94-V99 WeakPolarHBondContact CE-O 3.41Å; K94-V99 HydrophobicContact CG-CG2 4.13Å; K94-V99 WeakPolarHBondContact CG-O 3.45Å; K94-V99 PolarHBondContact O-N 2.83Å; K94-N100 WeakPolarHBondContact CE-O 3.31Å; K94-N100 PolarHBondContact NZ-O 2.88Å; K94-T102 HydrophobicContact CB-CG2 3.78Å; K94-T102 HydrophobicContact CG-CG2 4.26Å
95	R	97.8	Very high	96.6	Very high	175 Å²	175	52 Å²	52	66%	0.66	27%	0.27	S	S	*	.	H	α-helix	trans	-67.8	-45.3	-179.6	-170.9	-174.3	-62.5	91.8	-1.2	111.9	A91 W92 V93 L97 G98	A91-R95 PolarHBondContact O-N 3.1Å; W92-R95 PolarHBondContact O-N 3.09Å; V93-R95 VanDerWaalsContact C-N 3.34Å; V93-R95 PolarHBondContact O-N 3.35Å; R95-L97 VanDerWaalsContact C-N 3.33Å; R95-L97 PolarHBondContact O-N 3.3Å; R95-G98 PolarHBondContact O-N 3.25Å
96	A	95.8	Very high	96.4	Very high	21 Å²	21	51 Å²	51	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-45.4	179.8	0	0	0	0	0	111.4	W92 V93 I250 L251 K254	W92-A96 VanDerWaalsContact O-CB 3.3Å; W92-A96 WeakPolarHBondContact O-CB 3.41Å; W92-A96 PolarHBondContact O-N 3.43Å; V93-A96 PolarHBondContact O-N 3.41Å; A96-I250 HydrophobicContact CB-CG2 4.29Å; A96-L251 HydrophobicContact CB-CD2 3.85Å; A96-K254 WeakPolarHBondContact O-CE 3.36Å; A96-K254 VanDerWaalsContact O-CG 3.31Å; A96-K254 WeakPolarHBondContact O-CG 3.41Å
97	L	96.2	Very high	96.3	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-83.2	-11.8	-179.1	-64.8	176.7	0	0	0	114	I76 V93 R95 V99 I120 I250 K254 L266 I270	I76-L97 HydrophobicContact CD1-CD1 3.73Å; V93-L97 HydrophobicContact CG1-CD1 3.91Å; V93-L97 PolarHBondContact O-N 2.79Å; R95-L97 VanDerWaalsContact C-N 3.33Å; R95-L97 PolarHBondContact O-N 3.3Å; L97-V99 VanDerWaalsContact C-N 3.33Å; L97-V99 HydrophobicContact CB-CG1 3.85Å; L97-V99 HydrophobicContact CB-CG2 4.25Å; L97-I120 HydrophobicContact CD1-CD1 3.68Å; L97-I250 HydrophobicContact CD1-CG2 4.44Å; L97-I250 HydrophobicContact CD2-CG2 3.91Å; L97-I250 HydrophobicContact CG-CG2 4.02Å; L97-K254 HydrophobicContact CD2-CD 4.46Å; L97-L266 HydrophobicContact CD2-CD2 3.98Å; L97-I270 HydrophobicContact CD1-CD1 4.08Å; L97-I270 HydrophobicContact CD2-CD1 4.27Å
98	G	95.3	Very high	96.2	Very high	64 Å²	64	49.5 Å²	49.5	66%	0.66	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	32.4	-176.3	0	0	0	0	0	113.5	K94 R95	K94-G98 PolarHBondContact O-N 3.5Å; K94-G98 VanDerWaalsContact O-N 3.08Å; R95-G98 PolarHBondContact O-N 3.25Å
99	V	96.7	Very high	96	Very high	13 Å²	13	48 Å²	48	8%	0.079	26%	0.259	C	S	.	.			trans	-97.3	157.6	-175.3	-63.9	0	0	0	0	112.1	I71 K94 L97 T102 I120	I71-V99 HydrophobicContact CG2-CG1 3.59Å; K94-V99 HydrophobicContact CB-CG2 4.41Å; K94-V99 VanDerWaalsContact CE-O 3.29Å; K94-V99 WeakPolarHBondContact CE-O 3.41Å; K94-V99 HydrophobicContact CG-CG2 4.13Å; K94-V99 WeakPolarHBondContact CG-O 3.45Å; K94-V99 PolarHBondContact O-N 2.83Å; L97-V99 VanDerWaalsContact C-N 3.33Å; L97-V99 HydrophobicContact CB-CG1 3.85Å; L97-V99 HydrophobicContact CB-CG2 4.25Å; V99-T102 HydrophobicContact CG2-CG2 3.77Å; V99-I120 HydrophobicContact CB-CG2 3.85Å; V99-I120 HydrophobicContact CG1-CG2 3.72Å; V99-I120 HydrophobicContact CG2-CG2 3.99Å
100	N	96.1	Very high	95.9	Very high	127 Å²	127	51 Å²	51	68%	0.679	28%	0.279	S	S	*	.	S	Bend	trans	-78.1	-40	-171.9	-65.6	-57.5	0	0	0	112.5	K94 D121	K94-N100 WeakPolarHBondContact CE-O 3.31Å; K94-N100 PolarHBondContact NZ-O 2.88Å; N100-D121 WeakPolarHBondContact CB-OD1 3.41Å; N100-D121 PolarHBondContact N-OD1 3.32Å
101	K	97.2	Very high	95.8	Very high	122 Å²	122	58 Å²	58	53%	0.53	31%	0.308	S	S	.	.			trans	-142.5	139.2	-172.2	-170.7	-178.6	-179.7	178.1	0	110.9	D121 T124	K101-D121 WeakPolarHBondContact CA-OD1 3.32Å; K101-D121 WeakPolarHBondContact CB-OD1 3.38Å; K101-D121 PolarHBondContact N-OD1 3.27Å; K101-D121 PolarHBondContact O-N 3.4Å; K101-T124 HydrophobicContact CD-CG2 4.2Å; K101-T124 HydrophobicContact CG-CG2 3.97Å
102	T	97.5	Very high	95.7	Very high	29 Å²	29	56 Å²	56	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	159.5	171.4	53.2	0	0	0	0	110.1	V90 K94 V99 V118 C119	V90-T102 WeakPolarHBondContact CG1-OG1 3.48Å; V90-T102 PolarHBondContact O-OG1 3.18Å; K94-T102 HydrophobicContact CB-CG2 3.78Å; K94-T102 HydrophobicContact CG-CG2 4.26Å; V99-T102 HydrophobicContact CG2-CG2 3.77Å; T102-V118 HydrophobicContact CG2-CG1 4.43Å; T102-C119 CarbonylContact C-O 3.53Å; T102-C119 VanDerWaalsContact CA-O 3.25Å; T102-C119 WeakPolarHBondContact CA-O 3.43Å
103	G	96.7	Very high	95.7	Very high	13 Å²	13	51.1 Å²	51.1	13%	0.134	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	165.5	171	0	0	0	0	0	110.1	V118 C119	G103-V118 CarbonylContact O-C 3.6Å; G103-V118 WeakPolarHBondContact O-CA 3.29Å; G103-C119 PolarHBondContact N-O 2.97Å; G103-C119 PolarHBondContact O-N 3.18Å
104	H	96	Very high	95.7	Very high	13 Å²	13	51.1 Å²	51.1	6%	0.06	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.5	-170.7	66.1	86.6	0	0	0	114.5	H87 V90 G106 T107 L116 I117 V127 Q131	H87-H104 AromaticContact NE2-NE2 3.74Å; V90-H104 HydrophobicContact CG2-CB 3.81Å; H104-G106 VanDerWaalsContact ND1-C 3.29Å; H104-G106 PolarHBondContact ND1-N 2.83Å; H104-G106 PolarHBondContact ND1-O 2.87Å; H104-G106 PolarHBondContact O-N 3.28Å; H104-T107 PolarHBondContact CE1-N 2.85Å; H104-T107 PolarHBondContact CE1-OG1 3.42Å; H104-L116 HydrophobicContact CB-CD1 3.82Å; H104-L116 HydrophobicContact CB-CG 4.17Å; H104-I117 CarbonylContact C-O 3.52Å; H104-I117 WeakPolarHBondContact CA-O 3.42Å; H104-V127 WeakPolarHBondContact O-CG1 3.28Å; H104-Q131 PolarHBondContact O-NE2 3.26Å
105	S	93.6	Very high	95.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	26%	0.256	C	S	.	.	S	Bend	trans	-71.4	25.4	-177.5	62.7	0	0	0	0	115.9	I117 K135 T235	S105-I117 PolarHBondContact N-O 2.86Å; S105-I117 PolarHBondContact OG-N 3.34Å; S105-I117 VanDerWaalsContact OG-N 3.14Å; S105-K135 PolarHBondContact O-NZ 2.87Å; S105-T235 PolarHBondContact OG-OG1 3.04Å
106	G	92.3	Very high	95.7	Very high	10 Å²	10	38.5 Å²	38.5	10%	0.103	23%	0.225	C	C	.	.	S	Bend	trans	107.1	140.7	177.8	0	0	0	0	0	113.3	H104 L116 R232	H104-G106 VanDerWaalsContact ND1-C 3.29Å; H104-G106 PolarHBondContact ND1-N 2.83Å; H104-G106 PolarHBondContact ND1-O 2.87Å; H104-G106 PolarHBondContact O-N 3.28Å; G106-L116 WeakPolarHBondContact O-CD1 3.4Å; G106-R232 PolarHBondContact O-NH1 3.27Å; G106-R232 VanDerWaalsContact O-NH1 3.11Å; G106-R232 PolarHBondContact O-NH2 2.91Å
107	T	93	Very high	95.8	Very high	83 Å²	83	37.5 Å²	37.5	51%	0.509	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-64	137.4	-169.8	-46.3	0	0	0	0	111.4	H104	H104-T107 PolarHBondContact CE1-N 2.85Å; H104-T107 PolarHBondContact CE1-OG1 3.42Å
108	L	93.3	Very high	95.9	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-103.3	138.1	162.7	-69.6	172.9	0	0	0	107.8	K80 S86 V112 L116 Y137 R232	K80-L108 HydrophobicContact CB-CD1 4.18Å; K80-L108 HydrophobicContact CD-CB 3.72Å; K80-L108 HydrophobicContact CD-CD1 3.76Å; K80-L108 HydrophobicContact CD-CG 4.32Å; S86-L108 PolarHBondContact OG-N 3.15Å; S86-L108 PolarHBondContact OG-O 2.99Å; L108-V112 HydrophobicContact CB-CB 4.24Å; L108-V112 HydrophobicContact CB-CG1 4.32Å; L108-V112 HydrophobicContact CD2-CB 4.48Å; L108-V112 HydrophobicContact CD2-CG1 3.69Å; L108-V112 HydrophobicContact CG-CG1 4.44Å; L108-L116 HydrophobicContact CD1-CB 4.47Å; L108-Y137 HydrophobicContact CD2-CE1 4.12Å; L108-R232 HydrophobicContact CD1-CB 4.42Å; L108-R232 HydrophobicContact CD2-CB 3.9Å; L108-R232 HydrophobicContact CD2-CG 4.48Å; L108-R232 VanDerWaalsContact CD2-NH1 3.27Å
109	D	92.3	Very high	96	Very high	62 Å²	62	33.9 Å²	33.9	33%	0.332	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-55.4	152.9	172	-67.4	-8.8	0	0	0	109.4	K80 K111 V112 R211	K80-D109 PolarHBondContact NZ-O 3.41Å; D109-K111 VanDerWaalsContact C-N 3.29Å; D109-K111 PolarHBondContact O-N 2.77Å; D109-V112 HydrophobicContact CB-CB 4.43Å; D109-V112 HydrophobicContact CB-CG2 3.7Å; D109-V112 WeakPolarHBondContact O-CB 3.45Å; D109-V112 PolarHBondContact O-N 3.46Å; D109-R211 IonicContact OD2-CZ 2.86Å; D109-R211 IonicContact OD2-NE 3.8Å; D109-R211 IonicContact OD2-NH2 2.82Å; D109-R211 PolarHBondContact OD2-NH2 2.83Å
110	P	94.6	Very high	96.1	Very high	65 Å²	65	33.2 Å²	33.2	42%	0.422	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-45.2	-176.3	-30.8	36.7	0	0	0	114	K80 N83 V112	K80-P110 PolarHBondContact NZ-O 3.07Å; N83-P110 WeakPolarHBondContact CA-O 3.17Å; N83-P110 PolarHBondContact N-O 2.93Å; N83-P110 WeakPolarHBondContact O-CB 3.34Å; P110-V112 PolarHBondContact O-N 2.94Å
111	K	94.7	Very high	96.1	Very high	155 Å²	155	28.4 Å²	28.4	67%	0.674	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-3.3	179.3	-63	-168.6	177	-170.8	0	115.1	C82 D109	C82-K111 PolarHBondContact SG-O 3.05Å; D109-K111 VanDerWaalsContact C-N 3.29Å; D109-K111 PolarHBondContact O-N 2.77Å
112	V	96.6	Very high	96	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	13%	0.13	C	C	.	.			trans	-99.2	129.8	-173.2	-178.8	0	0	0	0	109.9	K80 L108 D109 P110 L230	K80-V112 PolarHBondContact NZ-O 3.26Å; L108-V112 HydrophobicContact CB-CB 4.24Å; L108-V112 HydrophobicContact CB-CG1 4.32Å; L108-V112 HydrophobicContact CD2-CB 4.48Å; L108-V112 HydrophobicContact CD2-CG1 3.69Å; L108-V112 HydrophobicContact CG-CG1 4.44Å; D109-V112 HydrophobicContact CB-CB 4.43Å; D109-V112 HydrophobicContact CB-CG2 3.7Å; D109-V112 WeakPolarHBondContact O-CB 3.45Å; D109-V112 PolarHBondContact O-N 3.46Å; P110-V112 PolarHBondContact O-N 2.94Å; V112-L230 WeakPolarHBondContact CA-O 3.48Å; V112-L230 HydrophobicContact CG1-CB 4.04Å; V112-L230 HydrophobicContact CG1-CD2 3.83Å; V112-L230 HydrophobicContact CG1-CG 3.9Å; V112-L230 VanDerWaalsContact CG1-O 3.31Å; V112-L230 WeakPolarHBondContact CG1-O 3.32Å; V112-L230 HydrophobicContact CG2-CB 4.02Å; V112-L230 HydrophobicContact CG2-CD2 3.96Å; V112-L230 HydrophobicContact CG2-CG 4.42Å
113	S	98.1	Very high	96	Very high	11 Å²	11	22.1 Å²	22.1	8%	0.077	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	177.1	-179.8	67.2	0	0	0	0	113.3	K80 L230 R231 R232	K80-S113 WeakPolarHBondContact O-CA 3.41Å; K80-S113 WeakPolarHBondContact O-CB 3.45Å; S113-L230 PolarHBondContact N-O 2.81Å; S113-R231 WeakPolarHBondContact O-CA 3.5Å; S113-R232 PolarHBondContact O-N 3.37Å
114	G	97.7	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.2	-160.4	169.2	0	0	0	0	0	114.1	D79 K80 L116 R232	D79-G114 WeakPolarHBondContact OD1-CA 3.2Å; D79-G114 PolarHBondContact OD1-N 3.14Å; K80-G114 PolarHBondContact N-O 3.16Å; K80-G114 PolarHBondContact O-N 2.8Å; G114-L116 PolarHBondContact O-N 2.98Å; G114-R232 CarbonylContact C-O 3.58Å
115	C	98.1	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	115.9	-165.4	-58.3	0	0	0	0	112.6	L78 R232 S233 T235 S239 E240 L244	L78-C115 CarbonylContact O-C 3.51Å; C115-R232 WeakPolarHBondContact CB-O 3.43Å; C115-R232 PolarHBondContact N-O 2.87Å; C115-R232 PolarHBondContact O-NE 3.14Å; C115-R232 PolarHBondContact O-NH2 3.08Å; C115-R232 PolarHBondContact SG-O 3.12Å; C115-S233 PolarHBondContact SG-O 3.32Å; C115-T235 HydrophobicContact CB-CG2 4.01Å; C115-S239 VanDerWaalsContact SG-C 3.54Å; C115-E240 VanDerWaalsContact SG-CA 3.53Å; C115-E240 PolarHBondContact SG-N 3.31Å; C115-L244 HydrophobicContact CB-CD1 4.38Å
116	L	97.8	Very high	96	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	104.7	170.3	-177.7	68.5	0	0	0	108	L78 K80 V90 H104 G106 L108 G114 V118 R232	L78-L116 VanDerWaalsContact CB-O 3.32Å; L78-L116 WeakPolarHBondContact CB-O 3.32Å; L78-L116 PolarHBondContact N-O 2.89Å; L78-L116 PolarHBondContact O-N 2.9Å; K80-L116 HydrophobicContact CB-CB 4.11Å; K80-L116 HydrophobicContact CB-CD2 4.31Å; K80-L116 HydrophobicContact CD-CD2 4.41Å; K80-L116 HydrophobicContact CG-CD2 4.39Å; V90-L116 HydrophobicContact CG2-CD2 4.14Å; H104-L116 HydrophobicContact CB-CD1 3.82Å; H104-L116 HydrophobicContact CB-CG 4.17Å; G106-L116 WeakPolarHBondContact O-CD1 3.4Å; L108-L116 HydrophobicContact CD1-CB 4.47Å; G114-L116 PolarHBondContact O-N 2.98Å; L116-V118 HydrophobicContact CG-CG2 4.45Å; L116-V118 PolarHBondContact O-N 3.25Å; L116-R232 VanDerWaalsContact CD1-NH2 3.29Å
117	I	98	Very high	96.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	121.5	175.3	-59.8	162.9	0	0	0	107.4	I76 H104 S105 T235 M238 L276	I76-I117 CarbonylContact O-C 3.54Å; I76-I117 VanDerWaalsContact O-CA 3.27Å; I76-I117 WeakPolarHBondContact O-CA 3.42Å; H104-I117 CarbonylContact C-O 3.52Å; H104-I117 WeakPolarHBondContact CA-O 3.42Å; S105-I117 PolarHBondContact N-O 2.86Å; S105-I117 PolarHBondContact OG-N 3.34Å; S105-I117 VanDerWaalsContact OG-N 3.14Å; I117-T235 HydrophobicContact CD1-CG2 3.7Å; I117-T235 HydrophobicContact CG1-CG2 3.72Å; I117-M238 HydrophobicContact CD1-CB 4Å; I117-M238 HydrophobicContact CD1-CG 3.9Å; I117-M238 HydrophobicContact CD1-SD 4.07Å; I117-M238 HydrophobicContact CG1-CB 4.23Å; I117-M238 HydrophobicContact CG1-CG 4.3Å; I117-M238 HydrophobicContact CG1-SD 3.97Å; I117-L276 HydrophobicContact CD1-CD2 3.9Å; I117-L276 HydrophobicContact CG2-CD1 4.2Å; I117-L276 HydrophobicContact CG2-CD2 4.2Å
118	V	98.2	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.1	172.3	-173.9	0	0	0	0	108.2	V75 I76 L78 V90 V93 T102 G103 L116	V75-V118 CarbonylContact C-O 3.59Å; V75-V118 WeakPolarHBondContact CA-O 3.5Å; I76-V118 HydrophobicContact CB-CB 4.36Å; I76-V118 PolarHBondContact N-O 3.46Å; I76-V118 PolarHBondContact O-N 3.5Å; L78-V118 HydrophobicContact CB-CG2 4.19Å; L78-V118 HydrophobicContact CD2-CG2 4.14Å; V90-V118 HydrophobicContact CG1-CG1 4.39Å; V90-V118 HydrophobicContact CG2-CG1 4.44Å; V90-V118 HydrophobicContact CG2-CG2 4.04Å; V93-V118 HydrophobicContact CG1-CG1 4.19Å; T102-V118 HydrophobicContact CG2-CG1 4.43Å; G103-V118 CarbonylContact O-C 3.6Å; G103-V118 WeakPolarHBondContact O-CA 3.29Å; L116-V118 HydrophobicContact CG-CG2 4.45Å; L116-V118 PolarHBondContact O-N 3.25Å
119	C	98	Very high	96.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.9	173	-69.7	0	0	0	0	109.9	T102 G103 A123 T124 V127	T102-C119 CarbonylContact C-O 3.53Å; T102-C119 VanDerWaalsContact CA-O 3.25Å; T102-C119 WeakPolarHBondContact CA-O 3.43Å; G103-C119 PolarHBondContact N-O 2.97Å; G103-C119 PolarHBondContact O-N 3.18Å; C119-A123 VanDerWaalsContact CB-C 3.46Å; C119-A123 HydrophobicContact CB-CB 3.93Å; C119-A123 WeakPolarHBondContact CB-O 3.33Å; C119-A123 PolarHBondContact SG-O 3.42Å; C119-A123 VanDerWaalsContact SG-O 3.36Å; C119-T124 HydrophobicContact CB-CG2 4.34Å; C119-T124 WeakPolarHBondContact O-CG2 3.39Å; C119-V127 HydrophobicContact CB-CG2 3.82Å
120	I	98.2	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.9	177.8	-58.1	170.2	0	0	0	109.5	I71 K72 G74 I76 L97 V99 R122 A123 I270	I71-I120 HydrophobicContact CG2-CD1 4.41Å; I71-I120 HydrophobicContact CG2-CG2 4.23Å; I71-I120 WeakPolarHBondContact O-CB 3.49Å; I71-I120 VanDerWaalsContact O-CG2 3.25Å; I71-I120 WeakPolarHBondContact O-CG2 3.28Å; K72-I120 VanDerWaalsContact O-O 3.08Å; G74-I120 PolarHBondContact O-N 3.2Å; I76-I120 HydrophobicContact CD1-CD1 3.99Å; I76-I120 HydrophobicContact CG1-CD1 4.35Å; L97-I120 HydrophobicContact CD1-CD1 3.68Å; V99-I120 HydrophobicContact CB-CG2 3.85Å; V99-I120 HydrophobicContact CG1-CG2 3.72Å; V99-I120 HydrophobicContact CG2-CG2 3.99Å; I120-R122 PolarHBondContact O-N 2.81Å; I120-A123 WeakPolarHBondContact O-CA 3.24Å; I120-A123 VanDerWaalsContact O-CB 3.25Å; I120-A123 WeakPolarHBondContact O-CB 3.47Å; I120-A123 PolarHBondContact O-N 3.46Å; I120-I270 HydrophobicContact CD1-CD1 4.21Å; I120-I270 HydrophobicContact CD1-CG1 4.42Å; I120-I270 HydrophobicContact CD1-CG2 4.4Å
121	D	96.7	Very high	96.1	Very high	25 Å²	25	27.7 Å²	27.7	13%	0.134	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	36.5	-101.3	173.7	-65.7	-28.5	0	0	0	114.8	K72 N100 K101 A123 T124	K72-D121 HydrophobicContact CB-CB 4.25Å; K72-D121 HydrophobicContact CG-CB 4.38Å; N100-D121 WeakPolarHBondContact CB-OD1 3.41Å; N100-D121 PolarHBondContact N-OD1 3.32Å; K101-D121 WeakPolarHBondContact CA-OD1 3.32Å; K101-D121 WeakPolarHBondContact CB-OD1 3.38Å; K101-D121 PolarHBondContact N-OD1 3.27Å; K101-D121 PolarHBondContact O-N 3.4Å; D121-A123 VanDerWaalsContact C-N 3.34Å; D121-A123 PolarHBondContact O-N 2.83Å; D121-T124 VanDerWaalsContact O-CB 3.28Å; D121-T124 WeakPolarHBondContact O-CB 3.47Å; D121-T124 VanDerWaalsContact O-CG2 3.32Å; D121-T124 WeakPolarHBondContact O-CG2 3.45Å; D121-T124 PolarHBondContact O-N 2.99Å; D121-T124 VanDerWaalsContact O-N 3.1Å; D121-T124 PolarHBondContact O-OG1 2.93Å
122	R	94.3	Very high	96	Very high	19 Å²	19	24.3 Å²	24.3	7%	0.072	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-64.7	-38.5	-178.7	-69.3	-176.9	-79.8	-112.5	15.9	112.5	E69 K72 S73 I120 T124 R125 E356	E69-R122 PolarHBondContact O-NH2 3.42Å; E69-R122 IonicContact OE1-NH1 3.66Å; E69-R122 IonicContact OE1-NH2 2.62Å; E69-R122 IonicContact OE2-CZ 2.79Å; E69-R122 IonicContact OE2-NH1 2.78Å; E69-R122 PolarHBondContact OE2-NH1 3.18Å; E69-R122 IonicContact OE2-NH2 3.32Å; E69-R122 PolarHBondContact OE2-NH2 3.24Å; K72-R122 VanDerWaalsContact CB-CZ 3.47Å; K72-R122 VanDerWaalsContact O-CB 3.32Å; K72-R122 WeakPolarHBondContact O-CB 3.37Å; K72-R122 PolarHBondContact O-N 3.23Å; S73-R122 PolarHBondContact OG-NE 3.42Å; S73-R122 PolarHBondContact OG-NH2 3.06Å; S73-R122 VanDerWaalsContact OG-NH2 3.08Å; I120-R122 PolarHBondContact O-N 2.81Å; R122-T124 PolarHBondContact O-N 3.02Å; R122-T124 VanDerWaalsContact O-N 3.1Å; R122-R125 WeakPolarHBondContact O-CB 3.29Å; R122-R125 VanDerWaalsContact O-CG 3.26Å; R122-R125 WeakPolarHBondContact O-CG 3.11Å; R122-R125 PolarHBondContact O-N 3.41Å; R122-R125 VanDerWaalsContact O-N 3.1Å; R122-E356 WeakPolarHBondContact CD-OE1 3.38Å; R122-E356 HydrophobicContact CG-CG 4.38Å; R122-E356 WeakPolarHBondContact CG-OE1 3.41Å; R122-E356 IonicContact CZ-OE1 3.76Å; R122-E356 IonicContact NE-OE1 3.29Å; R122-E356 IonicContact NH1-OE1 2.72Å; R122-E356 PolarHBondContact NH1-OE1 3.08Å; R122-E356 IonicContact NH1-OE2 3.22Å
123	A	96.8	Very high	95.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-62.2	-18.8	177.1	0	0	0	0	0	112	G74 V75 C119 I120 D121 R125 L126 L273	G74-A123 WeakPolarHBondContact O-CB 3.44Å; V75-A123 HydrophobicContact CG1-CB 3.71Å; C119-A123 VanDerWaalsContact CB-C 3.46Å; C119-A123 HydrophobicContact CB-CB 3.93Å; C119-A123 WeakPolarHBondContact CB-O 3.33Å; C119-A123 PolarHBondContact SG-O 3.42Å; C119-A123 VanDerWaalsContact SG-O 3.36Å; I120-A123 WeakPolarHBondContact O-CA 3.24Å; I120-A123 VanDerWaalsContact O-CB 3.25Å; I120-A123 WeakPolarHBondContact O-CB 3.47Å; I120-A123 PolarHBondContact O-N 3.46Å; D121-A123 VanDerWaalsContact C-N 3.34Å; D121-A123 PolarHBondContact O-N 2.83Å; A123-R125 PolarHBondContact O-N 3.43Å; A123-L126 WeakPolarHBondContact O-CB 3.34Å; A123-L126 PolarHBondContact O-N 3.42Å; A123-L273 HydrophobicContact CB-CB 3.89Å; A123-L273 HydrophobicContact CB-CD2 4.15Å
124	T	96.6	Very high	95.7	Very high	17 Å²	17	26.1 Å²	26.1	10%	0.104	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-59.4	-20.9	175.1	67.9	0	0	0	0	112.9	K101 C119 D121 R122 L126 V127	K101-T124 HydrophobicContact CD-CG2 4.2Å; K101-T124 HydrophobicContact CG-CG2 3.97Å; C119-T124 HydrophobicContact CB-CG2 4.34Å; C119-T124 WeakPolarHBondContact O-CG2 3.39Å; D121-T124 VanDerWaalsContact O-CB 3.28Å; D121-T124 WeakPolarHBondContact O-CB 3.47Å; D121-T124 VanDerWaalsContact O-CG2 3.32Å; D121-T124 WeakPolarHBondContact O-CG2 3.45Å; D121-T124 PolarHBondContact O-N 2.99Å; D121-T124 VanDerWaalsContact O-N 3.1Å; D121-T124 PolarHBondContact O-OG1 2.93Å; R122-T124 PolarHBondContact O-N 3.02Å; R122-T124 VanDerWaalsContact O-N 3.1Å; T124-L126 PolarHBondContact O-N 3.49Å; T124-V127 VanDerWaalsContact O-CB 3.25Å; T124-V127 WeakPolarHBondContact O-CB 3.49Å; T124-V127 VanDerWaalsContact O-CG2 3.26Å; T124-V127 WeakPolarHBondContact O-CG2 3.3Å; T124-V127 PolarHBondContact O-N 3.11Å; T124-V127 VanDerWaalsContact O-N 3.08Å
125	R	95	Very high	95.6	Very high	97 Å²	97	26.8 Å²	26.8	37%	0.366	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-60.2	-29.3	172.5	-63	177.3	178.5	-152.9	7.9	111.8	R122 A123 V127 R352 V353	R122-R125 WeakPolarHBondContact O-CB 3.29Å; R122-R125 VanDerWaalsContact O-CG 3.26Å; R122-R125 WeakPolarHBondContact O-CG 3.11Å; R122-R125 PolarHBondContact O-N 3.41Å; R122-R125 VanDerWaalsContact O-N 3.1Å; A123-R125 PolarHBondContact O-N 3.43Å; R125-V127 VanDerWaalsContact C-N 3.34Å; R125-R352 WeakPolarHBondContact O-CD 2.91Å; R125-R352 PolarHBondContact O-NH1 2.97Å; R125-V353 VanDerWaalsContact CD-O 3.3Å; R125-V353 WeakPolarHBondContact CD-O 3.49Å; R125-V353 PolarHBondContact NH1-O 3.08Å
126	L	95.2	Very high	95.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-81.3	-9.4	177.9	-62.7	178.7	0	0	0	113.9	A123 T124 K128 S129 Q130 L273 L276 L277 L329 I354	A123-L126 WeakPolarHBondContact O-CB 3.34Å; A123-L126 PolarHBondContact O-N 3.42Å; T124-L126 PolarHBondContact O-N 3.49Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 2.64Å; L126-S129 PolarHBondContact O-N 2.87Å; L126-S129 PolarHBondContact O-OG 3.21Å; L126-Q130 WeakPolarHBondContact O-CG 3.44Å; L126-Q130 PolarHBondContact O-N 3.19Å; L126-L273 HydrophobicContact CD1-CB 4.05Å; L126-L273 HydrophobicContact CD1-CD1 4.2Å; L126-L276 HydrophobicContact CD1-CB 4.47Å; L126-L276 HydrophobicContact CD1-CD1 4.15Å; L126-L277 HydrophobicContact CD1-CD1 4.39Å; L126-L277 HydrophobicContact CD1-CD2 4.37Å; L126-L277 HydrophobicContact CD1-CG 4.4Å; L126-L277 HydrophobicContact CD2-CD2 4.21Å; L126-L329 HydrophobicContact CD2-CD1 3.87Å; L126-L329 HydrophobicContact CD2-CG 4.47Å; L126-I354 HydrophobicContact CD2-CD1 3.76Å; L126-I354 HydrophobicContact CD2-CG1 3.96Å
127	V	95.7	Very high	95.7	Very high	18 Å²	18	29.1 Å²	29.1	11%	0.109	16%	0.155	C	C	.	.	H	α-helix	trans	-53.4	-46	-175.1	164.7	0	0	0	0	112.4	H104 C119 T124 R125 S129 Q130 Q131	H104-V127 WeakPolarHBondContact O-CG1 3.28Å; C119-V127 HydrophobicContact CB-CG2 3.82Å; T124-V127 VanDerWaalsContact O-CB 3.25Å; T124-V127 WeakPolarHBondContact O-CB 3.49Å; T124-V127 VanDerWaalsContact O-CG2 3.26Å; T124-V127 WeakPolarHBondContact O-CG2 3.3Å; T124-V127 PolarHBondContact O-N 3.11Å; T124-V127 VanDerWaalsContact O-N 3.08Å; R125-V127 VanDerWaalsContact C-N 3.34Å; V127-S129 VanDerWaalsContact C-N 3.35Å; V127-S129 PolarHBondContact O-N 3.48Å; V127-Q130 PolarHBondContact O-N 2.82Å; V127-Q131 HydrophobicContact CG1-CG 4.15Å; V127-Q131 VanDerWaalsContact CG1-NE2 3.32Å; V127-Q131 WeakPolarHBondContact O-CB 3.06Å; V127-Q131 VanDerWaalsContact O-CG 3.29Å; V127-Q131 WeakPolarHBondContact O-CG 3.29Å; V127-Q131 PolarHBondContact O-N 3.3Å
128	K	92.9	Very high	95.7	Very high	127 Å²	127	31 Å²	31	55%	0.552	17%	0.167	S	C	*	.	H	α-helix	trans	-61.3	-41.2	-179.6	-170.7	171.4	-177.6	169.6	0	112.3	L126 Q130 Q131 S132	L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 2.64Å; K128-Q130 VanDerWaalsContact C-N 3.35Å; K128-Q131 PolarHBondContact O-N 3.17Å; K128-S132 PolarHBondContact O-N 2.67Å; K128-S132 PolarHBondContact O-OG 2.8Å
129	S	91.7	Very high	95.7	Very high	28 Å²	28	31 Å²	31	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-69	-36.7	177.8	62	0	0	0	0	111.4	L126 V127 S132 A133	L126-S129 PolarHBondContact O-N 2.87Å; L126-S129 PolarHBondContact O-OG 3.21Å; V127-S129 VanDerWaalsContact C-N 3.35Å; V127-S129 PolarHBondContact O-N 3.48Å; S129-S132 PolarHBondContact O-N 3.43Å; S129-A133 PolarHBondContact O-N 3.01Å
130	Q	93.5	Very high	95.7	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-69.8	-32.8	176.3	-59.5	-48.1	-61.3	0	0	113.2	L126 V127 K128 A133 L276	L126-Q130 WeakPolarHBondContact O-CG 3.44Å; L126-Q130 PolarHBondContact O-N 3.19Å; V127-Q130 PolarHBondContact O-N 2.82Å; K128-Q130 VanDerWaalsContact C-N 3.35Å; Q130-A133 PolarHBondContact O-N 2.76Å; Q130-L276 HydrophobicContact CG-CD1 3.93Å
131	Q	94.5	Very high	95.7	Very high	79 Å²	79	33.5 Å²	33.5	37%	0.369	18%	0.18	S	C	.	.	H	α-helix	trans	-66.5	-38.4	175.5	-77	174.1	-10.5	0	0	112.4	H104 V127 K128 A133 A206	H104-Q131 PolarHBondContact O-NE2 3.26Å; V127-Q131 HydrophobicContact CG1-CG 4.15Å; V127-Q131 VanDerWaalsContact CG1-NE2 3.32Å; V127-Q131 WeakPolarHBondContact O-CB 3.06Å; V127-Q131 VanDerWaalsContact O-CG 3.29Å; V127-Q131 WeakPolarHBondContact O-CG 3.29Å; V127-Q131 PolarHBondContact O-N 3.3Å; K128-Q131 PolarHBondContact O-N 3.17Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; Q131-A206 WeakPolarHBondContact O-CB 3.33Å
132	S	92.5	Very high	95.8	Very high	85 Å²	85	36.4 Å²	36.4	59%	0.594	19%	0.189	S	C	*	.	H	α-helix	trans	-78.4	-14.8	178.3	-60.9	0	0	0	0	113.5	K128 S129	K128-S132 PolarHBondContact O-N 2.67Å; K128-S132 PolarHBondContact O-OG 2.8Å; S129-S132 PolarHBondContact O-N 3.43Å
133	A	93.2	Very high	96	Very high	19 Å²	19	35.5 Å²	35.5	16%	0.157	19%	0.186	C	C	.	.	S	Bend	trans	-69	149	-179	0	0	0	0	0	111.8	S129 Q130 Q131 G236	S129-A133 PolarHBondContact O-N 3.01Å; Q130-A133 PolarHBondContact O-N 2.76Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; A133-G236 VanDerWaalsContact CB-CA 3.49Å
134	G	94.4	Very high	96	Very high	31 Å²	31	41 Å²	41	32%	0.32	21%	0.211	S	C	.	.			trans	-57.9	154.5	176.8	0	0	0	0	0	112.8	C204 G236	G134-C204 WeakPolarHBondContact CA-O 3.17Å; G134-G236 PolarHBondContact O-N 2.87Å
135	K	97.4	Very high	95.8	Very high	15 Å²	15	46.4 Å²	46.4	7%	0.065	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.4	-174.4	-62.8	175.8	-176.5	-73.3	0	110.2	S105 Y137 R203 C204 K234 T235	S105-K135 PolarHBondContact O-NZ 2.87Å; K135-Y137 HydrophobicContact CB-CD2 4.35Å; K135-Y137 HydrophobicContact CB-CE2 3.59Å; K135-Y137 HydrophobicContact CD-CE2 4.32Å; K135-Y137 VanDerWaalsContact CD-OH 3.29Å; K135-Y137 WeakPolarHBondContact CD-OH 3.44Å; K135-R203 WeakPolarHBondContact O-CA 3.48Å; K135-C204 PolarHBondContact N-O 3.34Å; K135-C204 PolarHBondContact O-N 3.27Å; K135-K234 WeakPolarHBondContact CA-O 3.38Å; K135-T235 PolarHBondContact NZ-OG1 3.31Å
136	E	98.3	Very high	95.6	Very high	29 Å²	29	44.9 Å²	44.9	14%	0.136	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.8	173.3	-165.2	177.4	125.8	0	0	109.2	M201 V202 R203 R232 S233 K234	E136-M201 HydrophobicContact CG-CG 4.29Å; E136-M201 HydrophobicContact CG-SD 3.79Å; E136-V202 CarbonylContact C-O 3.54Å; E136-V202 VanDerWaalsContact CA-O 3.28Å; E136-V202 WeakPolarHBondContact CA-O 3.38Å; E136-R203 HydrophobicContact CB-CG 4.22Å; E136-R203 HydrophobicContact CG-CG 3.7Å; E136-R203 IonicContact OE2-CZ 3.63Å; E136-R203 IonicContact OE2-NE 3.63Å; E136-R203 PolarHBondContact OE2-NE 3.42Å; E136-R203 IonicContact OE2-NH2 2.97Å; E136-R203 PolarHBondContact OE2-NH2 3.42Å; E136-R232 CarbonylContact O-C 3.57Å; E136-R232 WeakPolarHBondContact O-CA 3.41Å; E136-R232 WeakPolarHBondContact O-CG 3.5Å; E136-S233 WeakPolarHBondContact CB-OG 3.47Å; E136-S233 WeakPolarHBondContact CG-OG 3.33Å; E136-S233 PolarHBondContact O-N 2.79Å; E136-S233 PolarHBondContact O-OG 2.66Å; E136-S233 PolarHBondContact OE1-OG 3.17Å; E136-K234 HydrophobicContact CB-CB 3.54Å; E136-K234 HydrophobicContact CB-CD 4.47Å; E136-K234 PolarHBondContact N-O 2.68Å; E136-K234 PolarHBondContact O-N 2.8Å
137	Y	98.5	Very high	95.3	Very high	19 Å²	19	45.8 Å²	45.8	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.6	-180	-62.1	-87.3	0	0	0	111	L108 K135 M201 V202 V210 L230 R231 R232	L108-Y137 HydrophobicContact CD2-CE1 4.12Å; K135-Y137 HydrophobicContact CB-CD2 4.35Å; K135-Y137 HydrophobicContact CB-CE2 3.59Å; K135-Y137 HydrophobicContact CD-CE2 4.32Å; K135-Y137 VanDerWaalsContact CD-OH 3.29Å; K135-Y137 WeakPolarHBondContact CD-OH 3.44Å; Y137-M201 CarbonylContact O-C 3.55Å; Y137-M201 WeakPolarHBondContact O-CA 3.21Å; Y137-V202 PolarHBondContact N-O 2.89Å; Y137-V202 PolarHBondContact O-N 2.94Å; Y137-V210 HydrophobicContact CD2-CG2 3.75Å; Y137-V210 HydrophobicContact CE2-CG2 4.19Å; Y137-V210 HydrophobicContact CG-CG2 3.99Å; Y137-L230 HydrophobicContact CD1-CD1 3.91Å; Y137-L230 HydrophobicContact CD1-CD2 3.92Å; Y137-L230 HydrophobicContact CD1-CG 3.85Å; Y137-L230 HydrophobicContact CE1-CD2 4.14Å; Y137-L230 HydrophobicContact CG-CD1 4.07Å; Y137-R231 CarbonylContact C-O 3.59Å; Y137-R231 VanDerWaalsContact CA-O 3.28Å; Y137-R231 WeakPolarHBondContact CA-O 3.35Å; Y137-R232 HydrophobicContact CD1-CB 3.69Å; Y137-R232 HydrophobicContact CD1-CG 3.93Å; Y137-R232 HydrophobicContact CE1-CB 3.54Å; Y137-R232 HydrophobicContact CE1-CG 3.59Å
138	V	98.4	Very high	94.7	Very high	40 Å²	40	50.7 Å²	50.7	24%	0.242	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.4	162.6	178.1	0	0	0	0	106.5	L199 I200 R231	V138-L199 HydrophobicContact CG1-CD1 3.47Å; V138-L199 VanDerWaalsContact CG1-CD1 3.47Å; V138-L199 HydrophobicContact CG1-CG 4.18Å; V138-I200 WeakPolarHBondContact CA-O 3.38Å; V138-R231 PolarHBondContact N-O 3.14Å; V138-R231 PolarHBondContact O-N 2.88Å
139	C	98.5	Very high	94.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.6	-170.2	-179.3	0	0	0	0	110.2	L199 I200 V210 E229 L230	C139-L199 WeakPolarHBondContact O-CA 3.25Å; C139-I200 HydrophobicContact CB-CD1 4.27Å; C139-I200 HydrophobicContact CB-CG1 3.7Å; C139-I200 PolarHBondContact N-O 2.84Å; C139-I200 PolarHBondContact O-N 3.42Å; C139-V210 HydrophobicContact CB-CG1 3.86Å; C139-E229 WeakPolarHBondContact CA-O 3.42Å; C139-L230 HydrophobicContact CB-CD1 3.59Å
140	I	98.5	Very high	94.5	Very high	51 Å²	51	52.1 Å²	52.1	26%	0.262	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119	166.8	-59	177.9	0	0	0	107.2	L197 G198 L199 E228 E229	I140-L197 HydrophobicContact CG2-CD2 3.92Å; I140-G198 CarbonylContact C-O 3.56Å; I140-G198 VanDerWaalsContact CA-O 3.31Å; I140-G198 WeakPolarHBondContact CA-O 3.16Å; I140-L199 HydrophobicContact CG1-CD1 3.79Å; I140-E228 HydrophobicContact CB-CB 4.31Å; I140-E228 HydrophobicContact CG2-CB 3.98Å; I140-E228 PolarHBondContact O-N 3.45Å; I140-E229 HydrophobicContact CB-CB 4.19Å; I140-E229 HydrophobicContact CD1-CB 4.2Å; I140-E229 HydrophobicContact CG1-CB 4.39Å; I140-E229 PolarHBondContact N-O 2.86Å; I140-E229 PolarHBondContact O-N 3.39Å
141	F	98	Very high	94.5	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	149.2	173.1	72	-87.7	0	0	0	110	L143 I153 L188 Y191 L197 G198 I200 C214 L217 V226	F141-L143 HydrophobicContact CD2-CD2 3.86Å; F141-L143 HydrophobicContact CD2-CG 4.07Å; F141-L143 HydrophobicContact CE2-CD1 4.19Å; F141-L143 HydrophobicContact CE2-CD2 3.8Å; F141-L143 HydrophobicContact CE2-CG 3.78Å; F141-I153 HydrophobicContact CZ-CG2 3.97Å; F141-L188 HydrophobicContact CE1-CD1 3.96Å; F141-L188 HydrophobicContact CZ-CD1 4.15Å; F141-Y191 HydrophobicContact CE2-CD2 4.38Å; F141-Y191 HydrophobicContact CE2-CE2 4.26Å; F141-Y191 HydrophobicContact CZ-CD2 4.03Å; F141-Y191 HydrophobicContact CZ-CE2 4.36Å; F141-L197 CarbonylContact O-C 3.55Å; F141-L197 WeakPolarHBondContact O-CA 3.32Å; F141-G198 VanDerWaalsContact CD1-C 3.49Å; F141-G198 WeakPolarHBondContact CD1-O 3.25Å; F141-G198 WeakPolarHBondContact CE1-O 3.29Å; F141-G198 PolarHBondContact N-O 2.79Å; F141-G198 PolarHBondContact O-N 3.37Å; F141-I200 HydrophobicContact CD1-CD1 4.5Å; F141-I200 HydrophobicContact CD1-CG1 4.4Å; F141-I200 HydrophobicContact CD1-CG2 3.84Å; F141-I200 HydrophobicContact CE1-CG2 3.56Å; F141-C214 HydrophobicContact CB-CB 4.3Å; F141-L217 HydrophobicContact CD1-CD2 4.14Å; F141-L217 HydrophobicContact CD2-CD2 3.74Å; F141-L217 HydrophobicContact CE1-CD2 4.09Å; F141-L217 HydrophobicContact CE2-CD2 3.67Å; F141-L217 HydrophobicContact CG-CD2 3.98Å; F141-L217 HydrophobicContact CZ-CD2 3.85Å; F141-V226 CarbonylContact C-O 3.55Å; F141-V226 WeakPolarHBondContact CA-O 3.33Å
142	R	98	Very high	94.4	Very high	85 Å²	85	60.8 Å²	60.8	32%	0.321	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128	172.6	-172.3	-175.1	-67.6	-92.2	7.1	109.4	K195 N196 L197 G225 V226 E228	R142-K195 PolarHBondContact NH1-O 2.96Å; R142-N196 CarbonylContact C-O 3.57Å; R142-N196 VanDerWaalsContact CA-O 3.28Å; R142-N196 WeakPolarHBondContact CA-O 3.37Å; R142-L197 HydrophobicContact CB-CD2 3.64Å; R142-L197 HydrophobicContact CG-CD2 3.9Å; R142-G225 CarbonylContact O-C 3.49Å; R142-G225 VanDerWaalsContact O-CA 3.26Å; R142-G225 WeakPolarHBondContact O-CA 3.43Å; R142-V226 HydrophobicContact CB-CG2 3.95Å; R142-V226 PolarHBondContact N-O 3.26Å; R142-V226 PolarHBondContact O-N 3.21Å; R142-E228 IonicContact CZ-OE1 3.58Å; R142-E228 IonicContact NE-OE1 3.45Å; R142-E228 PolarHBondContact NE-OE1 3.43Å; R142-E228 IonicContact NE-OE2 3.31Å; R142-E228 PolarHBondContact NE-OE2 3.01Å; R142-E228 IonicContact NH2-OE1 2.86Å; R142-E228 PolarHBondContact NH2-OE1 3.01Å
143	L	97.9	Very high	94.6	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	144.9	168.9	-57.6	-179.6	0	0	0	109.5	F141 E145 V147 I153 Y191 N196 L221	F141-L143 HydrophobicContact CD2-CD2 3.86Å; F141-L143 HydrophobicContact CD2-CG 4.07Å; F141-L143 HydrophobicContact CE2-CD1 4.19Å; F141-L143 HydrophobicContact CE2-CD2 3.8Å; F141-L143 HydrophobicContact CE2-CG 3.78Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 WeakPolarHBondContact CB-O 3.37Å; L143-V147 HydrophobicContact CD1-CG2 3.9Å; L143-I153 HydrophobicContact CD1-CD1 4.2Å; L143-Y191 HydrophobicContact CD1-CE2 4.04Å; L143-N196 HydrophobicContact CB-CB 4.28Å; L143-N196 PolarHBondContact N-O 3.5Å; L143-N196 VanDerWaalsContact O-CB 3.27Å; L143-N196 WeakPolarHBondContact O-CB 3.27Å; L143-L221 HydrophobicContact CD1-CD1 3.75Å; L143-L221 HydrophobicContact CD2-CD1 3.9Å
144	H	96.8	Very high	94.7	Very high	115 Å²	115	60 Å²	60	53%	0.532	30%	0.298	S	S	.	.	S	Bend	trans	-74.2	-28.2	179	-51.3	160	0	0	0	112.1	C223 G224 V226	H144-C223 VanDerWaalsContact CB-O 3.3Å; H144-C223 WeakPolarHBondContact CB-O 3.5Å; H144-C223 PolarHBondContact ND1-O 3.17Å; H144-G224 PolarHBondContact N-O 3.38Å; H144-V226 WeakPolarHBondContact NE2-CG1 3.17Å
145	E	93.6	Very high	94.8	Very high	131 Å²	131	65.9 Å²	65.9	61%	0.612	32%	0.315	S	S	*	.	S	Bend	trans	-127.8	151.8	176.2	-54.8	-179.7	172.5	0	0	110.8	L143 C223	L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 WeakPolarHBondContact CB-O 3.37Å; E145-C223 HydrophobicContact CB-CB 3.73Å; E145-C223 HydrophobicContact CG-CB 4.23Å
146	S	89.6	Confident	94.7	Very high	64 Å²	64	65.8 Å²	65.8	45%	0.448	32%	0.317	S	S	.	.			trans	-73.1	128	179.3	61.1	0	0	0	0	111	N196	S146-N196 WeakPolarHBondContact CA-OD1 3.25Å; S146-N196 WeakPolarHBondContact CB-OD1 3.48Å
147	V	89.1	Confident	94.6	Very high	19 Å²	19	64.5 Å²	64.5	12%	0.115	31%	0.31	C	S	.	.			trans	-95.7	128.8	171.7	179.8	0	0	0	0	109.3	L143 K152 I153 L221	L143-V147 HydrophobicContact CD1-CG2 3.9Å; V147-K152 HydrophobicContact CG1-CB 4.32Å; V147-I153 HydrophobicContact CB-CD1 4.12Å; V147-I153 HydrophobicContact CB-CG1 4.14Å; V147-I153 HydrophobicContact CG1-CG1 4.08Å; V147-L221 HydrophobicContact CG2-CB 4.44Å; V147-L221 HydrophobicContact CG2-CD1 4.49Å
148	D	83.3	Confident	94.5	Very high	121 Å²	121	68.2 Å²	68.2	65%	0.647	33%	0.329	S	S	*	.	S	Bend	trans	-68.9	-37.9	-173.4	-73.4	-42.8	0	0	0	114.3	K193	D148-K193 IonicContact OD1-NZ 2.72Å; D148-K193 PolarHBondContact OD1-NZ 3.42Å
149	E	88.5	Confident	94.3	Very high	95 Å²	95	68.9 Å²	68.9	44%	0.444	34%	0.343	S	S	.	.			trans	-104.3	111.2	-175.5	-69.5	173.3	-131.1	0	0	111.4	K151 K152	E149-K151 PolarHBondContact O-N 2.93Å; E149-K151 VanDerWaalsContact O-N 3.16Å; E149-K152 HydrophobicContact CB-CB 4.34Å; E149-K152 HydrophobicContact CB-CD 4Å; E149-K152 HydrophobicContact CB-CG 3.9Å; E149-K152 WeakPolarHBondContact O-CB 3.46Å; E149-K152 PolarHBondContact O-N 3.37Å; E149-K152 WeakPolarHBondContact OE1-CE 3.46Å; E149-K152 IonicContact OE1-NZ 3.77Å; E149-K152 PolarHBondContact OE1-NZ 3.44Å; E149-K152 VanDerWaalsContact OE2-CE 3.26Å; E149-K152 WeakPolarHBondContact OE2-CE 3.14Å; E149-K152 IonicContact OE2-NZ 3.86Å
150	I	91.2	Very high	94.2	Very high	91 Å²	91	69.4 Å²	69.4	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-56.7	-32.9	174.1	-58.2	174.7	0	0	0	111.2	K152 I153 Q154 L188 Y191	I150-K152 VanDerWaalsContact C-N 3.26Å; I150-K152 PolarHBondContact O-N 2.74Å; I150-I153 WeakPolarHBondContact O-CB 3.45Å; I150-I153 PolarHBondContact O-N 2.82Å; I150-I153 VanDerWaalsContact O-N 3.1Å; I150-Q154 PolarHBondContact O-N 2.76Å; I150-L188 HydrophobicContact CG2-CD2 4.34Å; I150-Y191 HydrophobicContact CG1-CD1 4.21Å
151	K	93.4	Very high	94.1	Very high	158 Å²	158	70 Å²	70	69%	0.687	35%	0.352	S	S	*	.	H	α-helix	trans	-60.2	-33.1	176.1	-69.4	-177.2	179.8	176.5	0	112.9	E149 K155	E149-K151 PolarHBondContact O-N 2.93Å; E149-K151 VanDerWaalsContact O-N 3.16Å; K151-K155 WeakPolarHBondContact O-CG 3.33Å; K151-K155 PolarHBondContact O-N 3.23Å; K151-K155 VanDerWaalsContact O-N 3.07Å
152	K	94.2	Very high	94.1	Very high	106 Å²	106	71.3 Å²	71.3	46%	0.461	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-42.3	175.1	-70.6	178.7	-178.6	155.1	0	110.5	V147 E149 I150 K155 A156	V147-K152 HydrophobicContact CG1-CB 4.32Å; E149-K152 HydrophobicContact CB-CB 4.34Å; E149-K152 HydrophobicContact CB-CD 4Å; E149-K152 HydrophobicContact CB-CG 3.9Å; E149-K152 WeakPolarHBondContact O-CB 3.46Å; E149-K152 PolarHBondContact O-N 3.37Å; E149-K152 WeakPolarHBondContact OE1-CE 3.46Å; E149-K152 IonicContact OE1-NZ 3.77Å; E149-K152 PolarHBondContact OE1-NZ 3.44Å; E149-K152 VanDerWaalsContact OE2-CE 3.26Å; E149-K152 WeakPolarHBondContact OE2-CE 3.14Å; E149-K152 IonicContact OE2-NZ 3.86Å; I150-K152 VanDerWaalsContact C-N 3.26Å; I150-K152 PolarHBondContact O-N 2.74Å; K152-K155 PolarHBondContact O-N 3.27Å; K152-A156 WeakPolarHBondContact O-CB 3.38Å; K152-A156 PolarHBondContact O-N 3.41Å
153	I	95.3	Very high	94	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-62.8	-48.5	176.2	-53.4	178.4	0	0	0	110.4	F141 L143 V147 I150 K155 A156 V157 L188 Y191 L221	F141-I153 HydrophobicContact CZ-CG2 3.97Å; L143-I153 HydrophobicContact CD1-CD1 4.2Å; V147-I153 HydrophobicContact CB-CD1 4.12Å; V147-I153 HydrophobicContact CB-CG1 4.14Å; V147-I153 HydrophobicContact CG1-CG1 4.08Å; I150-I153 WeakPolarHBondContact O-CB 3.45Å; I150-I153 PolarHBondContact O-N 2.82Å; I150-I153 VanDerWaalsContact O-N 3.1Å; I153-K155 PolarHBondContact O-N 3.2Å; I153-A156 PolarHBondContact O-N 3.3Å; I153-A156 VanDerWaalsContact O-N 3.15Å; I153-V157 HydrophobicContact CG2-CG2 4.36Å; I153-V157 WeakPolarHBondContact O-CG2 3.43Å; I153-V157 PolarHBondContact O-N 2.84Å; I153-L188 HydrophobicContact CB-CD2 4.49Å; I153-L188 HydrophobicContact CG2-CD1 4.4Å; I153-L188 HydrophobicContact CG2-CD2 4.11Å; I153-Y191 HydrophobicContact CD1-CD1 3.63Å; I153-Y191 HydrophobicContact CD1-CD2 3.75Å; I153-Y191 HydrophobicContact CD1-CE1 3.37Å; I153-Y191 HydrophobicContact CD1-CE2 3.51Å; I153-Y191 HydrophobicContact CD1-CG 3.82Å; I153-L221 HydrophobicContact CG1-CD1 4.27Å; I153-L221 HydrophobicContact CG1-CD2 4.48Å
154	Q	95.8	Very high	93.9	Very high	88 Å²	88	71.9 Å²	71.9	41%	0.411	39%	0.386	S	S	.	.	H	α-helix	trans	-57.3	-47.9	178.7	-175.9	179.7	-11.3	0	0	111.7	I150 A156 V157 E158 L188	I150-Q154 PolarHBondContact O-N 2.76Å; Q154-A156 VanDerWaalsContact C-N 3.33Å; Q154-A156 PolarHBondContact O-N 2.84Å; Q154-V157 PolarHBondContact O-N 2.89Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.37Å; Q154-E158 PolarHBondContact NE2-OE1 2.71Å; Q154-E158 WeakPolarHBondContact O-CG 3.24Å; Q154-E158 PolarHBondContact O-N 3.5Å; Q154-L188 HydrophobicContact CB-CD2 4.11Å
155	K	95.9	Very high	93.9	Very high	154 Å²	154	73.2 Å²	73.2	67%	0.67	39%	0.39	S	S	*	.	H	α-helix	trans	-61.2	-39.7	176.3	-75.4	-179.2	178.1	-176	0	112.6	K151 K152 I153 G159	K151-K155 WeakPolarHBondContact O-CG 3.33Å; K151-K155 PolarHBondContact O-N 3.23Å; K151-K155 VanDerWaalsContact O-N 3.07Å; K152-K155 PolarHBondContact O-N 3.27Å; I153-K155 PolarHBondContact O-N 3.2Å; K155-G159 PolarHBondContact O-N 2.9Å
156	A	96.3	Very high	93.8	Very high	13 Å²	13	67.1 Å²	67.1	11%	0.107	36%	0.362	C	S	.	.	H	α-helix	trans	-66.6	-39.6	177.7	0	0	0	0	0	111.8	K152 I153 Q154 G159 L160 L217 L220 L221	K152-A156 WeakPolarHBondContact O-CB 3.38Å; K152-A156 PolarHBondContact O-N 3.41Å; I153-A156 PolarHBondContact O-N 3.3Å; I153-A156 VanDerWaalsContact O-N 3.15Å; Q154-A156 VanDerWaalsContact C-N 3.33Å; Q154-A156 PolarHBondContact O-N 2.84Å; A156-G159 PolarHBondContact O-N 3.01Å; A156-L160 WeakPolarHBondContact O-CG 3.49Å; A156-L160 PolarHBondContact O-N 2.85Å; A156-L217 HydrophobicContact CB-CD1 3.65Å; A156-L220 HydrophobicContact CB-CB 4.46Å; A156-L221 HydrophobicContact CB-CD2 3.82Å; A156-L221 HydrophobicContact CB-CG 4.09Å
157	V	96.7	Very high	94	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.006	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-47.3	175	172.5	0	0	0	0	111.2	I153 Q154 G159 L160 C186 L188 I200 L217	I153-V157 HydrophobicContact CG2-CG2 4.36Å; I153-V157 WeakPolarHBondContact O-CG2 3.43Å; I153-V157 PolarHBondContact O-N 2.84Å; Q154-V157 PolarHBondContact O-N 2.89Å; V157-G159 VanDerWaalsContact C-N 3.3Å; V157-G159 PolarHBondContact O-N 3.45Å; V157-L160 PolarHBondContact O-N 2.92Å; V157-L160 VanDerWaalsContact O-N 3.17Å; V157-C186 HydrophobicContact CG1-CB 4.31Å; V157-C186 VanDerWaalsContact CG1-SG 3.57Å; V157-L188 HydrophobicContact CB-CB 4.49Å; V157-L188 HydrophobicContact CG1-CB 4.31Å; V157-L188 HydrophobicContact CG2-CB 4.46Å; V157-I200 HydrophobicContact CG1-CG2 4Å; V157-I200 HydrophobicContact CG2-CG2 4.06Å; V157-L217 HydrophobicContact CG2-CD1 3.77Å; V157-L217 HydrophobicContact CG2-CD2 3.95Å
158	E	95.1	Very high	94.1	Very high	97 Å²	97	69 Å²	69	45%	0.453	36%	0.357	S	S	.	.	H	α-helix	trans	-64.6	-34.9	177.2	-71.8	171.2	-172.5	0	0	112	Q154 L160 T161	Q154-E158 WeakPolarHBondContact CG-OE1 3.37Å; Q154-E158 PolarHBondContact NE2-OE1 2.71Å; Q154-E158 WeakPolarHBondContact O-CG 3.24Å; Q154-E158 PolarHBondContact O-N 3.5Å; E158-L160 PolarHBondContact O-N 2.89Å; E158-T161 WeakPolarHBondContact O-CB 3.38Å; E158-T161 WeakPolarHBondContact O-CG2 3.47Å; E158-T161 PolarHBondContact O-N 3.24Å; E158-T161 PolarHBondContact O-OG1 2.87Å
159	G	95.4	Very high	94.3	Very high	54 Å²	54	64.3 Å²	64.3	56%	0.557	33%	0.333	S	S	*	.	H	α-helix	trans	-66.5	-18.3	175	0	0	0	0	0	114.2	K155 A156 V157 T161	K155-G159 PolarHBondContact O-N 2.9Å; A156-G159 PolarHBondContact O-N 3.01Å; V157-G159 VanDerWaalsContact C-N 3.3Å; V157-G159 PolarHBondContact O-N 3.45Å; G159-T161 PolarHBondContact O-N 2.87Å
160	L	96.1	Very high	94.2	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.058	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	39.2	173.8	-68.2	168.7	0	0	0	112.1	A156 V157 E158 L164 L213 H216 L217 L220	A156-L160 WeakPolarHBondContact O-CG 3.49Å; A156-L160 PolarHBondContact O-N 2.85Å; V157-L160 PolarHBondContact O-N 2.92Å; V157-L160 VanDerWaalsContact O-N 3.17Å; E158-L160 PolarHBondContact O-N 2.89Å; L160-L164 HydrophobicContact CB-CD1 4.23Å; L160-L164 HydrophobicContact CD2-CD1 4.09Å; L160-L213 HydrophobicContact CB-CD1 3.82Å; L160-L213 HydrophobicContact CD1-CD1 3.95Å; L160-L213 HydrophobicContact CD1-CG 4.46Å; L160-L213 HydrophobicContact CD2-CD1 4.21Å; L160-L213 HydrophobicContact CG-CD1 4.23Å; L160-H216 HydrophobicContact CD2-CB 4.06Å; L160-L217 HydrophobicContact CD1-CB 3.73Å; L160-L217 HydrophobicContact CD1-CD1 4.05Å; L160-L217 HydrophobicContact CD1-CG 4.48Å; L160-L220 HydrophobicContact CD1-CD1 4.13Å; L160-L220 HydrophobicContact CD2-CD1 3.66Å; L160-L220 HydrophobicContact CG-CD1 3.73Å
161	T	96.5	Very high	93.8	Very high	63 Å²	63	68.9 Å²	68.9	39%	0.387	37%	0.366	S	S	.	.			trans	-112.3	157.6	172.4	57.3	0	0	0	0	110.8	E158 G159 C186	E158-T161 WeakPolarHBondContact O-CB 3.38Å; E158-T161 WeakPolarHBondContact O-CG2 3.47Å; E158-T161 PolarHBondContact O-N 3.24Å; E158-T161 PolarHBondContact O-OG1 2.87Å; G159-T161 PolarHBondContact O-N 2.87Å; T161-C186 HydrophobicContact CG2-CB 3.6Å
162	G	96.5	Very high	93.2	Very high	31 Å²	31	62.4 Å²	62.4	32%	0.32	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	87.9	-155.3	-176.3	0	0	0	0	0	113.8	L164 T182 I183	G162-L164 PolarHBondContact O-N 3.18Å; G162-T182 CarbonylContact O-C 3.53Å; G162-T182 WeakPolarHBondContact O-CA 3.48Å; G162-I183 PolarHBondContact N-O 2.7Å; G162-I183 PolarHBondContact O-N 3.47Å
163	A	97.1	Very high	92.6	Very high	70 Å²	70	62.8 Å²	62.8	58%	0.579	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	111	-176.1	0	0	0	0	0	111	V180	A163-V180 HydrophobicContact CB-CG1 3.75Å
164	L	96	Very high	92	Very high	27 Å²	27	66 Å²	66	14%	0.141	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.1	-177.2	-57.4	-176.5	0	0	0	111.7	L160 G162 Q166 V180 R181 I183 L213	L160-L164 HydrophobicContact CB-CD1 4.23Å; L160-L164 HydrophobicContact CD2-CD1 4.09Å; G162-L164 PolarHBondContact O-N 3.18Å; L164-Q166 PolarHBondContact O-N 2.95Å; L164-V180 WeakPolarHBondContact O-CA 3.5Å; L164-R181 PolarHBondContact N-O 2.73Å; L164-R181 PolarHBondContact O-N 2.86Å; L164-I183 HydrophobicContact CD1-CD1 3.61Å; L164-I183 HydrophobicContact CD1-CG1 4.17Å; L164-L213 HydrophobicContact CD1-CD1 3.97Å
165	F	95.2	Very high	91.6	Very high	143 Å²	143	69 Å²	69	63%	0.627	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.7	166.5	-67.9	-80.4	0	0	0	109.4	R179 V180 H216	F165-R179 CarbonylContact C-O 3.57Å; F165-R179 WeakPolarHBondContact CA-O 3.25Å; F165-V180 HydrophobicContact CD1-CG2 3.73Å; F165-V180 HydrophobicContact CE1-CG2 3.49Å; F165-V180 VanDerWaalsContact CE1-CG2 3.49Å; F165-V180 HydrophobicContact CG-CG2 4.49Å; F165-V180 HydrophobicContact CZ-CG2 4.08Å; F165-H216 PolarHBondContact O-CE1 2.8Å
166	Q	93.3	Very high	91.3	Very high	3 Å²	3	67.1 Å²	67.1	1%	0.014	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.2	173.6	-64.6	-170.9	5.4	0	0	110.3	L164 R179 T208 T212	L164-Q166 PolarHBondContact O-N 2.95Å; Q166-R179 PolarHBondContact N-O 2.74Å; Q166-R179 PolarHBondContact O-N 3.2Å; Q166-T208 VanDerWaalsContact NE2-CG2 3.32Å; Q166-T212 HydrophobicContact CB-CG2 4.34Å; Q166-T212 HydrophobicContact CG-CG2 4.4Å
167	R	92.5	Very high	91.1	Very high	120 Å²	120	71 Å²	71	45%	0.453	40%	0.401	S	S	.	.			trans	-105.7	129.2	163.1	-175.7	175.5	-85.2	-174.4	-6.3	108	R176 L178 T212	R167-R176 HydrophobicContact CG-CB 4.17Å; R167-L178 HydrophobicContact CB-CD2 4.06Å; R167-T212 PolarHBondContact O-OG1 3.37Å
168	P	91.4	Very high	91	Very high	3 Å²	3	76.2 Å²	76.2	2%	0.019	43%	0.428	C	S	.	.			trans	-53.8	146.2	173.7	-26.3	33.2	0	0	0	112.5	A172 R176 Q177 Y209	P168-A172 HydrophobicContact CB-CB 3.96Å; P168-R176 PolarHBondContact O-NE 2.93Å; P168-Q177 VanDerWaalsContact CD-O 3.29Å; P168-Q177 WeakPolarHBondContact CD-O 3.17Å; P168-Y209 HydrophobicContact CB-CD2 4.36Å; P168-Y209 HydrophobicContact CB-CE1 4.32Å; P168-Y209 HydrophobicContact CB-CE2 3.79Å; P168-Y209 HydrophobicContact CG-CD2 4.39Å; P168-Y209 HydrophobicContact CG-CE2 3.7Å
169	P	88.1	Confident	90.9	Very high	22 Å²	22	74.8 Å²	74.8	14%	0.143	42%	0.418	C	S	.	.			trans	-66.4	166.1	175.2	29.6	-34.7	0	0	0	111.4	V171 A172 Y209	P169-V171 PolarHBondContact O-N 3.29Å; P169-A172 HydrophobicContact CG-CB 4.08Å; P169-A172 WeakPolarHBondContact O-CB 2.88Å; P169-A172 PolarHBondContact O-N 3.34Å; P169-Y209 HydrophobicContact CG-CD1 3.93Å; P169-Y209 HydrophobicContact CG-CE1 4.26Å
170	L	85.8	Confident	91	Very high	141 Å²	141	75.4 Å²	75.4	74%	0.738	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.3	-179.1	-77.3	167.3	0	0	0	113.6	A172	L170-A172 VanDerWaalsContact C-N 3.26Å; L170-A172 PolarHBondContact O-N 3.39Å
171	V	82.4	Confident	90.9	Very high	141 Å²	141	78.1 Å²	78.1	86%	0.855	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.7	-176.9	-166.8	0	0	0	0	112.4	P169	P169-V171 PolarHBondContact O-N 3.29Å
172	A	81.1	Confident	91	Very high	23 Å²	23	77.3 Å²	77.3	19%	0.19	42%	0.416	C	S	.	.			trans	-74	140.9	-179	0	0	0	0	0	111.6	P168 P169 L170 V174 Y209	P168-A172 HydrophobicContact CB-CB 3.96Å; P169-A172 HydrophobicContact CG-CB 4.08Å; P169-A172 WeakPolarHBondContact O-CB 2.88Å; P169-A172 PolarHBondContact O-N 3.34Å; L170-A172 VanDerWaalsContact C-N 3.26Å; L170-A172 PolarHBondContact O-N 3.39Å; A172-V174 PolarHBondContact O-N 2.95Å; A172-Y209 HydrophobicContact CB-CE1 3.83Å
173	A	81.6	Confident	91.1	Very high	113 Å²	113	75.9 Å²	75.9	93%	0.934	40%	0.401	S	S	*	.	S	Bend	trans	-66.8	-3.9	175	0	0	0	0	0	114.4
174	V	83.6	Confident	91.1	Very high	67 Å²	67	79.2 Å²	79.2	41%	0.406	40%	0.399	S	S	.	.	S	Bend	trans	-109.6	138.5	-172.5	-174.2	0	0	0	0	110.7	A172 R176 R179	A172-V174 PolarHBondContact O-N 2.95Å; V174-R176 PolarHBondContact O-N 2.97Å; V174-R179 VanDerWaalsContact CG1-NH1 3.33Å
175	K	87.8	Confident	91.1	Very high	153 Å²	153	80 Å²	80	67%	0.665	40%	0.402	S	S	*	.			trans	-46.8	129.3	174.5	-171.9	176.2	-176.9	173.4	0	111.7	Q177 R179	K175-Q177 HydrophobicContact CD-CG 4.44Å; K175-Q177 HydrophobicContact CG-CG 4.31Å; K175-Q177 PolarHBondContact O-N 3.39Å; K175-R179 PolarHBondContact O-NH2 2.76Å
176	R	88.4	Confident	91.3	Very high	113 Å²	113	73.4 Å²	73.4	43%	0.426	37%	0.374	S	S	.	.			trans	-76.6	81.9	-177.2	-64	-175	73.4	-150.7	3.2	111.9	R167 P168 V174	R167-R176 HydrophobicContact CG-CB 4.17Å; P168-R176 PolarHBondContact O-NE 2.93Å; V174-R176 PolarHBondContact O-N 2.97Å
177	Q	92.7	Very high	91.5	Very high	95 Å²	95	78.3 Å²	78.3	44%	0.444	40%	0.395	S	S	.	.			trans	-114.6	150.4	170.1	-72.3	170.6	-30.6	0	0	109.7	P168 K175	P168-Q177 VanDerWaalsContact CD-O 3.29Å; P168-Q177 WeakPolarHBondContact CD-O 3.17Å; K175-Q177 HydrophobicContact CD-CG 4.44Å; K175-Q177 HydrophobicContact CG-CG 4.31Å; K175-Q177 PolarHBondContact O-N 3.39Å
178	L	93.5	Very high	91.7	Very high	111 Å²	111	74.5 Å²	74.5	58%	0.581	38%	0.384	S	S	*	.			trans	-65.9	132.9	171.5	-78	168	0	0	0	109.1	R167	R167-L178 HydrophobicContact CB-CD2 4.06Å
179	R	94.6	Very high	92	Very high	66 Å²	66	79 Å²	79	25%	0.249	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.1	177.7	-59.1	-175.7	-173.5	112.7	8.3	109.3	F165 Q166 V174 K175	F165-R179 CarbonylContact C-O 3.57Å; F165-R179 WeakPolarHBondContact CA-O 3.25Å; Q166-R179 PolarHBondContact N-O 2.74Å; Q166-R179 PolarHBondContact O-N 3.2Å; V174-R179 VanDerWaalsContact CG1-NH1 3.33Å; K175-R179 PolarHBondContact O-NH2 2.76Å
180	V	96.4	Very high	92.4	Very high	67 Å²	67	84 Å²	84	41%	0.406	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.3	173.1	-177	0	0	0	0	109	A163 L164 F165	A163-V180 HydrophobicContact CB-CG1 3.75Å; L164-V180 WeakPolarHBondContact O-CA 3.5Å; F165-V180 HydrophobicContact CD1-CG2 3.73Å; F165-V180 HydrophobicContact CE1-CG2 3.49Å; F165-V180 VanDerWaalsContact CE1-CG2 3.49Å; F165-V180 HydrophobicContact CG-CG2 4.49Å; F165-V180 HydrophobicContact CZ-CG2 4.08Å
181	R	95.3	Very high	92.8	Very high	69 Å²	69	78.5 Å²	78.5	26%	0.26	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.7	173	-71.7	-64.9	179.1	-94.1	6.9	110.1	L164 A206	L164-R181 PolarHBondContact N-O 2.73Å; L164-R181 PolarHBondContact O-N 2.86Å; R181-A206 PolarHBondContact NE-O 3.36Å
182	T	97.6	Very high	93.4	Very high	46 Å²	46	75.3 Å²	75.3	28%	0.282	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.8	-177.6	-51.6	0	0	0	0	111.5	G162 Y184 E205	G162-T182 CarbonylContact O-C 3.53Å; G162-T182 WeakPolarHBondContact O-CA 3.48Å; T182-Y184 HydrophobicContact CG2-CD1 3.86Å; T182-Y184 HydrophobicContact CG2-CE1 3.81Å; T182-E205 PolarHBondContact N-OE2 3.3Å; T182-E205 WeakPolarHBondContact O-CB 3.48Å; T182-E205 PolarHBondContact O-N 3.1Å
183	I	98	Very high	93.8	Very high	1 Å²	1	78.7 Å²	78.7	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.9	165	-61.2	-171.9	0	0	0	107.5	G162 L164 C186 V202 R203 C204 T208 L213	G162-I183 PolarHBondContact N-O 2.7Å; G162-I183 PolarHBondContact O-N 3.47Å; L164-I183 HydrophobicContact CD1-CD1 3.61Å; L164-I183 HydrophobicContact CD1-CG1 4.17Å; I183-C186 HydrophobicContact CG2-CB 4.08Å; I183-V202 HydrophobicContact CD1-CG1 4.4Å; I183-V202 HydrophobicContact CG2-CG1 4.04Å; I183-R203 CarbonylContact C-O 3.52Å; I183-C204 HydrophobicContact CG1-CB 4.21Å; I183-T208 HydrophobicContact CD1-CG2 4.28Å; I183-T208 HydrophobicContact CG1-CG2 4.12Å; I183-L213 HydrophobicContact CD1-CD1 3.36Å; I183-L213 HydrophobicContact CD1-CD2 3.75Å; I183-L213 HydrophobicContact CD1-CG 4.15Å
184	Y	97.2	Very high	94.3	Very high	140 Å²	140	77.9 Å²	77.9	55%	0.549	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-35.5	-178.5	-51.9	-59.4	0	0	0	111.8	T182 R203 C204 E205	T182-Y184 HydrophobicContact CG2-CD1 3.86Å; T182-Y184 HydrophobicContact CG2-CE1 3.81Å; Y184-R203 HydrophobicContact CD2-CB 4.44Å; Y184-R203 PolarHBondContact N-O 2.83Å; Y184-C204 VanDerWaalsContact CE2-C 3.43Å; Y184-E205 HydrophobicContact CE2-CB 4.49Å
185	E	97.6	Very high	94.8	Very high	42 Å²	42	79.7 Å²	79.7	20%	0.196	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	134.5	-176.8	-167.6	174.9	-174.2	0	0	109.4	K187 M201 V202 R203	E185-K187 HydrophobicContact CG-CD 4.25Å; E185-K187 HydrophobicContact CG-CG 4.19Å; E185-K187 VanDerWaalsContact OE1-CD 3.3Å; E185-K187 WeakPolarHBondContact OE1-CD 3.34Å; E185-K187 WeakPolarHBondContact OE1-CE 3.49Å; E185-K187 IonicContact OE1-NZ 2.64Å; E185-K187 PolarHBondContact OE1-NZ 2.99Å; E185-M201 HydrophobicContact CG-CE 4.08Å; E185-V202 CarbonylContact O-C 3.32Å; E185-V202 WeakPolarHBondContact O-CA 3.44Å; E185-R203 HydrophobicContact CB-CB 4.04Å; E185-R203 HydrophobicContact CB-CG 4.41Å; E185-R203 PolarHBondContact N-O 3.16Å; E185-R203 PolarHBondContact O-N 2.93Å; E185-R203 WeakPolarHBondContact OE2-CD 3.36Å; E185-R203 IonicContact OE2-CZ 3.75Å; E185-R203 IonicContact OE2-NE 3.05Å; E185-R203 IonicContact OE2-NH1 3.78Å; E185-R203 PolarHBondContact OE2-NH1 2.92Å
186	C	97.7	Very high	95.2	Very high	6 Å²	6	73.9 Å²	73.9	4%	0.041	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	115.7	175.3	-162.2	0	0	0	0	107.7	V157 T161 I183 M201	V157-C186 HydrophobicContact CG1-CB 4.31Å; V157-C186 VanDerWaalsContact CG1-SG 3.57Å; T161-C186 HydrophobicContact CG2-CB 3.6Å; I183-C186 HydrophobicContact CG2-CB 4.08Å; C186-M201 CarbonylContact C-O 3.51Å; C186-M201 WeakPolarHBondContact CA-O 3.37Å
187	K	97.5	Very high	95.6	Very high	106 Å²	106	70 Å²	70	46%	0.461	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.2	-174	-78.2	-179.4	165.2	167.3	0	110.9	E185 I200 M201	E185-K187 HydrophobicContact CG-CD 4.25Å; E185-K187 HydrophobicContact CG-CG 4.19Å; E185-K187 VanDerWaalsContact OE1-CD 3.3Å; E185-K187 WeakPolarHBondContact OE1-CD 3.34Å; E185-K187 WeakPolarHBondContact OE1-CE 3.49Å; E185-K187 IonicContact OE1-NZ 2.64Å; E185-K187 PolarHBondContact OE1-NZ 2.99Å; K187-I200 CarbonylContact O-C 3.56Å; K187-I200 WeakPolarHBondContact O-CA 3.48Å; K187-I200 WeakPolarHBondContact O-CB 3.22Å; K187-M201 HydrophobicContact CB-CE 4.39Å; K187-M201 HydrophobicContact CD-CE 4Å; K187-M201 HydrophobicContact CG-CE 4.42Å; K187-M201 PolarHBondContact N-O 2.91Å; K187-M201 PolarHBondContact O-N 2.89Å
188	L	97.6	Very high	95.8	Very high	39 Å²	39	65.7 Å²	65.7	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.3	166.5	-174.8	66.9	0	0	0	108.6	F141 I150 I153 Q154 V157 I200	F141-L188 HydrophobicContact CE1-CD1 3.96Å; F141-L188 HydrophobicContact CZ-CD1 4.15Å; I150-L188 HydrophobicContact CG2-CD2 4.34Å; I153-L188 HydrophobicContact CB-CD2 4.49Å; I153-L188 HydrophobicContact CG2-CD1 4.4Å; I153-L188 HydrophobicContact CG2-CD2 4.11Å; Q154-L188 HydrophobicContact CB-CD2 4.11Å; V157-L188 HydrophobicContact CB-CB 4.49Å; V157-L188 HydrophobicContact CG1-CB 4.31Å; V157-L188 HydrophobicContact CG2-CB 4.46Å; L188-I200 HydrophobicContact CD1-CG2 4.06Å
189	L	97	Very high	96	Very high	98 Å²	98	62.5 Å²	62.5	51%	0.513	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-47.3	177.5	-59.6	-174.3	0	0	0	110.8	L199 M201	L189-L199 HydrophobicContact CB-CB 4.26Å; L189-L199 HydrophobicContact CB-CD2 3.98Å; L189-L199 HydrophobicContact CB-CG 4.12Å; L189-L199 HydrophobicContact CD1-CD2 3.87Å; L189-L199 HydrophobicContact CD1-CG 4.06Å; L189-L199 PolarHBondContact N-O 2.92Å; L189-M201 HydrophobicContact CD1-CB 4.14Å; L189-M201 HydrophobicContact CD2-CB 4.4Å; L189-M201 HydrophobicContact CG-CB 4.33Å
190	E	96.1	Very high	96.2	Very high	128 Å²	128	59.5 Å²	59.5	60%	0.598	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150	150.9	-176.1	-168.5	172.5	170.8	0	0	109.9	G198 L199	E190-G198 CarbonylContact O-C 3.5Å; E190-G198 VanDerWaalsContact O-CA 3.29Å; E190-G198 WeakPolarHBondContact O-CA 3.26Å; E190-L199 HydrophobicContact CB-CB 4.14Å; E190-L199 PolarHBondContact N-O 2.87Å; E190-L199 PolarHBondContact O-N 3.38Å
191	Y	95.6	Very high	96.3	Very high	25 Å²	25	57.2 Å²	57.2	10%	0.098	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	123.4	171.4	-177.4	-100	0	0	0	110.4	F141 L143 I150 I153 K193 L197	F141-Y191 HydrophobicContact CE2-CD2 4.38Å; F141-Y191 HydrophobicContact CE2-CE2 4.26Å; F141-Y191 HydrophobicContact CZ-CD2 4.03Å; F141-Y191 HydrophobicContact CZ-CE2 4.36Å; L143-Y191 HydrophobicContact CD1-CE2 4.04Å; I150-Y191 HydrophobicContact CG1-CD1 4.21Å; I153-Y191 HydrophobicContact CD1-CD1 3.63Å; I153-Y191 HydrophobicContact CD1-CD2 3.75Å; I153-Y191 HydrophobicContact CD1-CE1 3.37Å; I153-Y191 HydrophobicContact CD1-CE2 3.51Å; I153-Y191 HydrophobicContact CD1-CG 3.82Å; Y191-K193 HydrophobicContact CE1-CB 4.15Å; Y191-L197 WeakPolarHBondContact CA-O 3.28Å; Y191-L197 VanDerWaalsContact CD2-O 3.27Å; Y191-L197 WeakPolarHBondContact CD2-O 3.34Å
192	E	94.1	Very high	96.5	Very high	73 Å²	73	53.9 Å²	53.9	34%	0.341	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	107.1	178.2	-173.7	173.8	-166.8	0	0	110	S194 K195 N196 L197	E192-S194 VanDerWaalsContact C-N 3.35Å; E192-S194 VanDerWaalsContact CG-OG 3.29Å; E192-S194 WeakPolarHBondContact CG-OG 3.25Å; E192-S194 PolarHBondContact O-N 2.82Å; E192-S194 PolarHBondContact OE1-OG 3.23Å; E192-K195 PolarHBondContact O-N 2.78Å; E192-K195 IonicContact OE1-NZ 3.17Å; E192-K195 PolarHBondContact OE1-NZ 3.32Å; E192-K195 WeakPolarHBondContact OE2-CD 3.43Å; E192-K195 IonicContact OE2-NZ 2.77Å; E192-K195 PolarHBondContact OE2-NZ 2.87Å; E192-N196 PolarHBondContact O-N 2.91Å; E192-L197 PolarHBondContact N-O 2.83Å; E192-L197 PolarHBondContact O-N 3.25Å
193	K	91	Very high	96.5	Very high	95 Å²	95	56.4 Å²	56.4	41%	0.413	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-33.2	-176.3	-169.7	179.4	-176.9	-177.7	0	113.2	D148 Y191 K195 N196	D148-K193 IonicContact OD1-NZ 2.72Å; D148-K193 PolarHBondContact OD1-NZ 3.42Å; Y191-K193 HydrophobicContact CE1-CB 4.15Å; K193-K195 VanDerWaalsContact C-N 3.27Å; K193-K195 PolarHBondContact O-N 3.14Å; K193-N196 PolarHBondContact O-N 2.9Å; K193-N196 PolarHBondContact O-OD1 2.77Å; K193-N196 VanDerWaalsContact O-OD1 3.12Å
194	S	92	Very high	96.4	Very high	96 Å²	96	56.4 Å²	56.4	67%	0.671	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.4	-178	56.7	0	0	0	0	113.1	E192	E192-S194 VanDerWaalsContact C-N 3.35Å; E192-S194 VanDerWaalsContact CG-OG 3.29Å; E192-S194 WeakPolarHBondContact CG-OG 3.25Å; E192-S194 PolarHBondContact O-N 2.82Å; E192-S194 PolarHBondContact OE1-OG 3.23Å
195	K	94.1	Very high	96.4	Very high	105 Å²	105	52.7 Å²	52.7	46%	0.457	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-3.5	-178.2	-60.2	-179.3	-167.6	132.9	0	113.5	R142 E192 K193 L197	R142-K195 PolarHBondContact NH1-O 2.96Å; E192-K195 PolarHBondContact O-N 2.78Å; E192-K195 IonicContact OE1-NZ 3.17Å; E192-K195 PolarHBondContact OE1-NZ 3.32Å; E192-K195 WeakPolarHBondContact OE2-CD 3.43Å; E192-K195 IonicContact OE2-NZ 2.77Å; E192-K195 PolarHBondContact OE2-NZ 2.87Å; K193-K195 VanDerWaalsContact C-N 3.27Å; K193-K195 PolarHBondContact O-N 3.14Å; K195-L197 HydrophobicContact CB-CB 4.24Å; K195-L197 HydrophobicContact CB-CD1 3.87Å; K195-L197 HydrophobicContact CB-CG 3.87Å; K195-L197 HydrophobicContact CD-CD1 4.1Å; K195-L197 PolarHBondContact O-N 3.47Å
196	N	95.4	Very high	96.2	Very high	30 Å²	30	51.6 Å²	51.6	16%	0.16	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	34.3	-168.6	-60.7	-28.7	0	0	0	113	R142 L143 S146 E192 K193	R142-N196 CarbonylContact C-O 3.57Å; R142-N196 VanDerWaalsContact CA-O 3.28Å; R142-N196 WeakPolarHBondContact CA-O 3.37Å; L143-N196 HydrophobicContact CB-CB 4.28Å; L143-N196 PolarHBondContact N-O 3.5Å; L143-N196 VanDerWaalsContact O-CB 3.27Å; L143-N196 WeakPolarHBondContact O-CB 3.27Å; S146-N196 WeakPolarHBondContact CA-OD1 3.25Å; S146-N196 WeakPolarHBondContact CB-OD1 3.48Å; E192-N196 PolarHBondContact O-N 2.91Å; K193-N196 PolarHBondContact O-N 2.9Å; K193-N196 PolarHBondContact O-OD1 2.77Å; K193-N196 VanDerWaalsContact O-OD1 3.12Å
197	L	97	Very high	95.9	Very high	32 Å²	32	53.3 Å²	53.3	17%	0.168	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.2	-177.8	-71.7	177.2	0	0	0	110.8	I140 F141 R142 Y191 E192 K195	I140-L197 HydrophobicContact CG2-CD2 3.92Å; F141-L197 CarbonylContact O-C 3.55Å; F141-L197 WeakPolarHBondContact O-CA 3.32Å; R142-L197 HydrophobicContact CB-CD2 3.64Å; R142-L197 HydrophobicContact CG-CD2 3.9Å; Y191-L197 WeakPolarHBondContact CA-O 3.28Å; Y191-L197 VanDerWaalsContact CD2-O 3.27Å; Y191-L197 WeakPolarHBondContact CD2-O 3.34Å; E192-L197 PolarHBondContact N-O 2.83Å; E192-L197 PolarHBondContact O-N 3.25Å; K195-L197 HydrophobicContact CB-CB 4.24Å; K195-L197 HydrophobicContact CB-CD1 3.87Å; K195-L197 HydrophobicContact CB-CG 3.87Å; K195-L197 HydrophobicContact CD-CD1 4.1Å; K195-L197 PolarHBondContact O-N 3.47Å
198	G	96.7	Very high	95.8	Very high	4 Å²	4	48.8 Å²	48.8	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.2	171.7	0	0	0	0	0	112.9	I140 F141 E190	I140-G198 CarbonylContact C-O 3.56Å; I140-G198 VanDerWaalsContact CA-O 3.31Å; I140-G198 WeakPolarHBondContact CA-O 3.16Å; F141-G198 VanDerWaalsContact CD1-C 3.49Å; F141-G198 WeakPolarHBondContact CD1-O 3.25Å; F141-G198 WeakPolarHBondContact CE1-O 3.29Å; F141-G198 PolarHBondContact N-O 2.79Å; F141-G198 PolarHBondContact O-N 3.37Å; E190-G198 CarbonylContact O-C 3.5Å; E190-G198 VanDerWaalsContact O-CA 3.29Å; E190-G198 WeakPolarHBondContact O-CA 3.26Å
199	L	98.2	Very high	95.7	Very high	45 Å²	45	49.2 Å²	49.2	24%	0.236	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.8	179.2	-172.9	68.7	0	0	0	109.1	V138 C139 I140 L189 E190	V138-L199 HydrophobicContact CG1-CD1 3.47Å; V138-L199 VanDerWaalsContact CG1-CD1 3.47Å; V138-L199 HydrophobicContact CG1-CG 4.18Å; C139-L199 WeakPolarHBondContact O-CA 3.25Å; I140-L199 HydrophobicContact CG1-CD1 3.79Å; L189-L199 HydrophobicContact CB-CB 4.26Å; L189-L199 HydrophobicContact CB-CD2 3.98Å; L189-L199 HydrophobicContact CB-CG 4.12Å; L189-L199 HydrophobicContact CD1-CD2 3.87Å; L189-L199 HydrophobicContact CD1-CG 4.06Å; L189-L199 PolarHBondContact N-O 2.92Å; E190-L199 HydrophobicContact CB-CB 4.14Å; E190-L199 PolarHBondContact N-O 2.87Å; E190-L199 PolarHBondContact O-N 3.38Å
200	I	98.3	Very high	95.6	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.3	173.9	62.5	178.6	0	0	0	112	V138 C139 F141 V157 K187 L188 V202 L213	V138-I200 WeakPolarHBondContact CA-O 3.38Å; C139-I200 HydrophobicContact CB-CD1 4.27Å; C139-I200 HydrophobicContact CB-CG1 3.7Å; C139-I200 PolarHBondContact N-O 2.84Å; C139-I200 PolarHBondContact O-N 3.42Å; F141-I200 HydrophobicContact CD1-CD1 4.5Å; F141-I200 HydrophobicContact CD1-CG1 4.4Å; F141-I200 HydrophobicContact CD1-CG2 3.84Å; F141-I200 HydrophobicContact CE1-CG2 3.56Å; V157-I200 HydrophobicContact CG1-CG2 4Å; V157-I200 HydrophobicContact CG2-CG2 4.06Å; K187-I200 CarbonylContact O-C 3.56Å; K187-I200 WeakPolarHBondContact O-CA 3.48Å; K187-I200 WeakPolarHBondContact O-CB 3.22Å; L188-I200 HydrophobicContact CD1-CG2 4.06Å; I200-V202 HydrophobicContact CD1-CG2 3.74Å; I200-V202 HydrophobicContact CG1-CG2 3.94Å; I200-L213 HydrophobicContact CD1-CD2 4.38Å
201	M	98.4	Very high	95.6	Very high	18 Å²	18	42.5 Å²	42.5	9%	0.089	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.7	165.6	-174.1	-77.7	-65.2	0	0	109.3	E136 Y137 E185 C186 K187 L189 R203	E136-M201 HydrophobicContact CG-CG 4.29Å; E136-M201 HydrophobicContact CG-SD 3.79Å; Y137-M201 CarbonylContact O-C 3.55Å; Y137-M201 WeakPolarHBondContact O-CA 3.21Å; E185-M201 HydrophobicContact CG-CE 4.08Å; C186-M201 CarbonylContact C-O 3.51Å; C186-M201 WeakPolarHBondContact CA-O 3.37Å; K187-M201 HydrophobicContact CB-CE 4.39Å; K187-M201 HydrophobicContact CD-CE 4Å; K187-M201 HydrophobicContact CG-CE 4.42Å; K187-M201 PolarHBondContact N-O 2.91Å; K187-M201 PolarHBondContact O-N 2.89Å; L189-M201 HydrophobicContact CD1-CB 4.14Å; L189-M201 HydrophobicContact CD2-CB 4.4Å; L189-M201 HydrophobicContact CG-CB 4.33Å; M201-R203 HydrophobicContact SD-CG 3.81Å
202	V	98.3	Very high	95.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.6	-175.5	-174.4	0	0	0	0	110	E136 Y137 I183 E185 I200 C204 L213	E136-V202 CarbonylContact C-O 3.54Å; E136-V202 VanDerWaalsContact CA-O 3.28Å; E136-V202 WeakPolarHBondContact CA-O 3.38Å; Y137-V202 PolarHBondContact N-O 2.89Å; Y137-V202 PolarHBondContact O-N 2.94Å; I183-V202 HydrophobicContact CD1-CG1 4.4Å; I183-V202 HydrophobicContact CG2-CG1 4.04Å; E185-V202 CarbonylContact O-C 3.32Å; E185-V202 WeakPolarHBondContact O-CA 3.44Å; I200-V202 HydrophobicContact CD1-CG2 3.74Å; I200-V202 HydrophobicContact CG1-CG2 3.94Å; V202-C204 HydrophobicContact CG1-CB 4.17Å; V202-L213 HydrophobicContact CG1-CD2 3.95Å; V202-L213 HydrophobicContact CG2-CD2 3.78Å
203	R	98.2	Very high	95.7	Very high	98 Å²	98	38.5 Å²	38.5	37%	0.37	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.2	165.3	-69.6	179.6	176.5	153.4	0.9	109.4	K135 E136 I183 Y184 E185 M201	K135-R203 WeakPolarHBondContact O-CA 3.48Å; E136-R203 HydrophobicContact CB-CG 4.22Å; E136-R203 HydrophobicContact CG-CG 3.7Å; E136-R203 IonicContact OE2-CZ 3.63Å; E136-R203 IonicContact OE2-NE 3.63Å; E136-R203 PolarHBondContact OE2-NE 3.42Å; E136-R203 IonicContact OE2-NH2 2.97Å; E136-R203 PolarHBondContact OE2-NH2 3.42Å; I183-R203 CarbonylContact C-O 3.52Å; Y184-R203 HydrophobicContact CD2-CB 4.44Å; Y184-R203 PolarHBondContact N-O 2.83Å; E185-R203 HydrophobicContact CB-CB 4.04Å; E185-R203 HydrophobicContact CB-CG 4.41Å; E185-R203 PolarHBondContact N-O 3.16Å; E185-R203 PolarHBondContact O-N 2.93Å; E185-R203 WeakPolarHBondContact OE2-CD 3.36Å; E185-R203 IonicContact OE2-CZ 3.75Å; E185-R203 IonicContact OE2-NE 3.05Å; E185-R203 IonicContact OE2-NH1 3.78Å; E185-R203 PolarHBondContact OE2-NH1 2.92Å; M201-R203 HydrophobicContact SD-CG 3.81Å
204	C	97.3	Very high	96	Very high	1 Å²	1	34 Å²	34	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	161.1	-172.6	60.6	0	0	0	0	113.3	G134 K135 I183 Y184 V202 T208	G134-C204 WeakPolarHBondContact CA-O 3.17Å; K135-C204 PolarHBondContact N-O 3.34Å; K135-C204 PolarHBondContact O-N 3.27Å; I183-C204 HydrophobicContact CG1-CB 4.21Å; Y184-C204 VanDerWaalsContact CE2-C 3.43Å; V202-C204 HydrophobicContact CG1-CB 4.17Å; C204-T208 HydrophobicContact CB-CG2 3.8Å
205	E	96.6	Very high	96.3	Very high	63 Å²	63	32.4 Å²	32.4	29%	0.294	17%	0.166	S	C	.	.			trans	-63.2	151.8	169.5	-167.7	-172.1	164	0	0	110.7	T182 Y184 G207 T208	T182-E205 PolarHBondContact N-OE2 3.3Å; T182-E205 WeakPolarHBondContact O-CB 3.48Å; T182-E205 PolarHBondContact O-N 3.1Å; Y184-E205 HydrophobicContact CE2-CB 4.49Å; E205-G207 PolarHBondContact O-N 3.3Å; E205-T208 WeakPolarHBondContact O-CB 3.34Å; E205-T208 PolarHBondContact O-N 2.93Å; E205-T208 PolarHBondContact O-OG1 2.88Å
206	A	93.5	Very high	96.4	Very high	18 Å²	18	29.8 Å²	29.8	15%	0.149	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	138.4	174.1	0	0	0	0	0	112.3	Q131 R181 T208	Q131-A206 WeakPolarHBondContact O-CB 3.33Å; R181-A206 PolarHBondContact NE-O 3.36Å; A206-T208 VanDerWaalsContact C-N 3.35Å
207	G	91.3	Very high	96.5	Very high	43 Å²	43	28.4 Å²	28.4	44%	0.443	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	8.3	-179.1	0	0	0	0	0	115	E205 Y209	E205-G207 PolarHBondContact O-N 3.3Å; G207-Y209 WeakPolarHBondContact O-CD2 3.37Å; G207-Y209 WeakPolarHBondContact O-CE2 3.12Å
208	T	94.8	Very high	96.5	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.067	14%	0.14	C	C	.	.			trans	-71.7	131.5	167.2	-54.7	0	0	0	0	110.3	Q166 I183 C204 E205 A206	Q166-T208 VanDerWaalsContact NE2-CG2 3.32Å; I183-T208 HydrophobicContact CD1-CG2 4.28Å; I183-T208 HydrophobicContact CG1-CG2 4.12Å; C204-T208 HydrophobicContact CB-CG2 3.8Å; E205-T208 WeakPolarHBondContact O-CB 3.34Å; E205-T208 PolarHBondContact O-N 2.93Å; E205-T208 PolarHBondContact O-OG1 2.88Å; A206-T208 VanDerWaalsContact C-N 3.35Å
209	Y	94.9	Very high	96.4	Very high	48 Å²	48	32.5 Å²	32.5	19%	0.188	17%	0.168	C	C	.	.			trans	-96.7	101	177.4	-69.3	-89.7	0	0	0	110.3	P168 P169 A172 G207 R211 T212 L213	P168-Y209 HydrophobicContact CB-CD2 4.36Å; P168-Y209 HydrophobicContact CB-CE1 4.32Å; P168-Y209 HydrophobicContact CB-CE2 3.79Å; P168-Y209 HydrophobicContact CG-CD2 4.39Å; P168-Y209 HydrophobicContact CG-CE2 3.7Å; P169-Y209 HydrophobicContact CG-CD1 3.93Å; P169-Y209 HydrophobicContact CG-CE1 4.26Å; A172-Y209 HydrophobicContact CB-CE1 3.83Å; G207-Y209 WeakPolarHBondContact O-CD2 3.37Å; G207-Y209 WeakPolarHBondContact O-CE2 3.12Å; Y209-R211 PolarHBondContact O-N 3.12Å; Y209-T212 WeakPolarHBondContact O-CB 3.45Å; Y209-T212 PolarHBondContact O-N 3.46Å; Y209-L213 PolarHBondContact O-N 2.65Å
210	V	96.7	Very high	96.3	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-30.6	176.7	-173.8	0	0	0	0	111.4	Y137 C139 T212 L213 C214 L230	Y137-V210 HydrophobicContact CD2-CG2 3.75Å; Y137-V210 HydrophobicContact CE2-CG2 4.19Å; Y137-V210 HydrophobicContact CG-CG2 3.99Å; C139-V210 HydrophobicContact CB-CG1 3.86Å; V210-T212 VanDerWaalsContact C-N 3.34Å; V210-T212 PolarHBondContact O-N 3.28Å; V210-L213 WeakPolarHBondContact O-CA 3.4Å; V210-L213 WeakPolarHBondContact O-CB 3.28Å; V210-L213 PolarHBondContact O-N 2.77Å; V210-L213 VanDerWaalsContact O-N 3.11Å; V210-C214 PolarHBondContact O-N 2.98Å; V210-C214 PolarHBondContact O-SG 3.36Å; V210-C214 VanDerWaalsContact O-SG 3.35Å; V210-L230 HydrophobicContact CB-CD1 3.9Å; V210-L230 HydrophobicContact CB-CD2 4.13Å; V210-L230 HydrophobicContact CG1-CD1 3.65Å; V210-L230 HydrophobicContact CG2-CD1 4.17Å; V210-L230 HydrophobicContact CG2-CD2 4.42Å
211	R	95.7	Very high	96.2	Very high	79 Å²	79	37.1 Å²	37.1	30%	0.298	19%	0.193	S	C	.	.	H	α-helix	trans	-57.4	-45.8	171.5	-168.1	-175.2	-55.2	-77.2	-2.4	112.7	D109 Y209 L213 C214 V215 M227	D109-R211 IonicContact OD2-CZ 2.86Å; D109-R211 IonicContact OD2-NE 3.8Å; D109-R211 IonicContact OD2-NH2 2.82Å; D109-R211 PolarHBondContact OD2-NH2 2.83Å; Y209-R211 PolarHBondContact O-N 3.12Å; R211-L213 VanDerWaalsContact C-N 3.3Å; R211-C214 PolarHBondContact O-N 3.3Å; R211-V215 PolarHBondContact O-N 2.78Å; R211-M227 HydrophobicContact CB-CB 4.47Å; R211-M227 HydrophobicContact CB-CE 4.5Å; R211-M227 HydrophobicContact CB-SD 3.95Å; R211-M227 HydrophobicContact CG-CB 4.25Å
212	T	95.3	Very high	96	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.08	22%	0.223	C	C	.	.	H	α-helix	trans	-67.4	-35	176.5	-58	0	0	0	0	110.9	Q166 R167 Y209 V210 C214 V215 H216	Q166-T212 HydrophobicContact CB-CG2 4.34Å; Q166-T212 HydrophobicContact CG-CG2 4.4Å; R167-T212 PolarHBondContact O-OG1 3.37Å; Y209-T212 WeakPolarHBondContact O-CB 3.45Å; Y209-T212 PolarHBondContact O-N 3.46Å; V210-T212 VanDerWaalsContact C-N 3.34Å; V210-T212 PolarHBondContact O-N 3.28Å; T212-C214 PolarHBondContact O-N 3.17Å; T212-V215 PolarHBondContact O-N 2.62Å; T212-H216 VanDerWaalsContact CG2-NE2 3.33Å; T212-H216 WeakPolarHBondContact CG2-NE2 3.49Å; T212-H216 PolarHBondContact O-CD2 2.99Å; T212-H216 PolarHBondContact O-N 2.76Å
213	L	96.9	Very high	95.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-44.6	174.1	-171.7	67.5	0	0	0	112.2	L160 L164 I183 I200 V202 Y209 V210 R211 V215 H216 L217	L160-L213 HydrophobicContact CB-CD1 3.82Å; L160-L213 HydrophobicContact CD1-CD1 3.95Å; L160-L213 HydrophobicContact CD1-CG 4.46Å; L160-L213 HydrophobicContact CD2-CD1 4.21Å; L160-L213 HydrophobicContact CG-CD1 4.23Å; L164-L213 HydrophobicContact CD1-CD1 3.97Å; I183-L213 HydrophobicContact CD1-CD1 3.36Å; I183-L213 HydrophobicContact CD1-CD2 3.75Å; I183-L213 HydrophobicContact CD1-CG 4.15Å; I200-L213 HydrophobicContact CD1-CD2 4.38Å; V202-L213 HydrophobicContact CG1-CD2 3.95Å; V202-L213 HydrophobicContact CG2-CD2 3.78Å; Y209-L213 PolarHBondContact O-N 2.65Å; V210-L213 WeakPolarHBondContact O-CA 3.4Å; V210-L213 WeakPolarHBondContact O-CB 3.28Å; V210-L213 PolarHBondContact O-N 2.77Å; V210-L213 VanDerWaalsContact O-N 3.11Å; R211-L213 VanDerWaalsContact C-N 3.3Å; L213-V215 VanDerWaalsContact C-N 3.32Å; L213-V215 PolarHBondContact O-N 3.19Å; L213-H216 PolarHBondContact O-N 2.6Å; L213-L217 PolarHBondContact O-N 3.1Å
214	C	97.4	Very high	95.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-38.1	176.3	-61.7	0	0	0	0	112.4	F141 V210 R211 T212 L217 G218 M227	F141-C214 HydrophobicContact CB-CB 4.3Å; V210-C214 PolarHBondContact O-N 2.98Å; V210-C214 PolarHBondContact O-SG 3.36Å; V210-C214 VanDerWaalsContact O-SG 3.35Å; R211-C214 PolarHBondContact O-N 3.3Å; T212-C214 PolarHBondContact O-N 3.17Å; C214-L217 PolarHBondContact O-N 3.22Å; C214-G218 PolarHBondContact O-N 2.72Å; C214-M227 HydrophobicContact CB-CB 4.1Å
215	V	96.7	Very high	95.6	Very high	62 Å²	62	36.7 Å²	36.7	38%	0.376	22%	0.22	S	C	.	.	H	α-helix	trans	-64	-45.3	173.9	176.6	0	0	0	0	110.6	R211 T212 L213 L217 G218 L219 G225	R211-V215 PolarHBondContact O-N 2.78Å; T212-V215 PolarHBondContact O-N 2.62Å; L213-V215 VanDerWaalsContact C-N 3.32Å; L213-V215 PolarHBondContact O-N 3.19Å; V215-L217 VanDerWaalsContact C-N 3.33Å; V215-L217 PolarHBondContact O-N 2.67Å; V215-G218 PolarHBondContact O-N 3.39Å; V215-L219 HydrophobicContact CG1-CD1 4.28Å; V215-L219 HydrophobicContact CG1-CG 4.47Å; V215-L219 WeakPolarHBondContact O-CG 3.41Å; V215-L219 PolarHBondContact O-N 3.23Å; V215-G225 WeakPolarHBondContact CA-O 3.43Å
216	H	97	Very high	95.6	Very high	49 Å²	49	36.4 Å²	36.4	23%	0.227	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-39.6	177.6	-65.7	178.7	0	0	0	112.3	L160 F165 T212 L213 G218 L219 L220	L160-H216 HydrophobicContact CD2-CB 4.06Å; F165-H216 PolarHBondContact O-CE1 2.8Å; T212-H216 VanDerWaalsContact CG2-NE2 3.33Å; T212-H216 WeakPolarHBondContact CG2-NE2 3.49Å; T212-H216 PolarHBondContact O-CD2 2.99Å; T212-H216 PolarHBondContact O-N 2.76Å; L213-H216 PolarHBondContact O-N 2.6Å; H216-G218 VanDerWaalsContact C-N 3.3Å; H216-G218 PolarHBondContact O-N 2.8Å; H216-L219 PolarHBondContact O-N 2.96Å; H216-L220 WeakPolarHBondContact O-CG 3.26Å; H216-L220 PolarHBondContact O-N 3.44Å
217	L	97.1	Very high	95.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-46.2	173.4	179.4	61.7	0	0	0	111	F141 A156 V157 L160 L213 C214 V215 L219 L220 L221	F141-L217 HydrophobicContact CD1-CD2 4.14Å; F141-L217 HydrophobicContact CD2-CD2 3.74Å; F141-L217 HydrophobicContact CE1-CD2 4.09Å; F141-L217 HydrophobicContact CE2-CD2 3.67Å; F141-L217 HydrophobicContact CG-CD2 3.98Å; F141-L217 HydrophobicContact CZ-CD2 3.85Å; A156-L217 HydrophobicContact CB-CD1 3.65Å; V157-L217 HydrophobicContact CG2-CD1 3.77Å; V157-L217 HydrophobicContact CG2-CD2 3.95Å; L160-L217 HydrophobicContact CD1-CB 3.73Å; L160-L217 HydrophobicContact CD1-CD1 4.05Å; L160-L217 HydrophobicContact CD1-CG 4.48Å; L213-L217 PolarHBondContact O-N 3.1Å; C214-L217 PolarHBondContact O-N 3.22Å; V215-L217 VanDerWaalsContact C-N 3.33Å; V215-L217 PolarHBondContact O-N 2.67Å; L217-L219 PolarHBondContact O-N 3.08Å; L217-L220 PolarHBondContact O-N 2.84Å; L217-L221 HydrophobicContact CD1-CD1 4.05Å; L217-L221 HydrophobicContact CG-CD1 4.14Å; L217-L221 WeakPolarHBondContact O-CG 3.37Å; L217-L221 PolarHBondContact O-N 3.42Å; L217-L221 VanDerWaalsContact O-N 3.1Å
218	G	96.8	Very high	96	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-40.4	174.8	0	0	0	0	0	113.9	C214 V215 H216 L221 G222 C223 G224	C214-G218 PolarHBondContact O-N 2.72Å; V215-G218 PolarHBondContact O-N 3.39Å; H216-G218 VanDerWaalsContact C-N 3.3Å; H216-G218 PolarHBondContact O-N 2.8Å; G218-L221 PolarHBondContact O-N 3.1Å; G218-G222 PolarHBondContact O-N 3.17Å; G218-C223 PolarHBondContact O-N 3.27Å; G218-G224 PolarHBondContact O-N 3.19Å
219	L	95.5	Very high	96.1	Very high	122 Å²	122	43.1 Å²	43.1	64%	0.639	24%	0.239	S	C	*	.	H	α-helix	trans	-66.3	-41.4	176.5	-69	173.7	0	0	0	112.2	V215 H216 L217 L221 G222	V215-L219 HydrophobicContact CG1-CD1 4.28Å; V215-L219 HydrophobicContact CG1-CG 4.47Å; V215-L219 WeakPolarHBondContact O-CG 3.41Å; V215-L219 PolarHBondContact O-N 3.23Å; H216-L219 PolarHBondContact O-N 2.96Å; L217-L219 PolarHBondContact O-N 3.08Å; L219-L221 VanDerWaalsContact C-N 3.26Å; L219-L221 PolarHBondContact O-N 3.25Å; L219-G222 PolarHBondContact O-N 3.04Å
220	L	95.1	Very high	96.2	Very high	110 Å²	110	41.4 Å²	41.4	58%	0.576	23%	0.233	S	C	*	.	H	α-helix	trans	-64	-32.5	176.3	-72.8	176.5	0	0	0	112.5	A156 L160 H216 L217	A156-L220 HydrophobicContact CB-CB 4.46Å; L160-L220 HydrophobicContact CD1-CD1 4.13Å; L160-L220 HydrophobicContact CD2-CD1 3.66Å; L160-L220 HydrophobicContact CG-CD1 3.73Å; H216-L220 WeakPolarHBondContact O-CG 3.26Å; H216-L220 PolarHBondContact O-N 3.44Å; L217-L220 PolarHBondContact O-N 2.84Å
221	L	96	Very high	96.3	Very high	35 Å²	35	44.1 Å²	44.1	18%	0.183	24%	0.243	C	C	.	.	H	α-helix	trans	-86.1	-11.3	177.9	-67.4	171.8	0	0	0	113.4	L143 V147 I153 A156 L217 G218 L219 C223	L143-L221 HydrophobicContact CD1-CD1 3.75Å; L143-L221 HydrophobicContact CD2-CD1 3.9Å; V147-L221 HydrophobicContact CG2-CB 4.44Å; V147-L221 HydrophobicContact CG2-CD1 4.49Å; I153-L221 HydrophobicContact CG1-CD1 4.27Å; I153-L221 HydrophobicContact CG1-CD2 4.48Å; A156-L221 HydrophobicContact CB-CD2 3.82Å; A156-L221 HydrophobicContact CB-CG 4.09Å; L217-L221 HydrophobicContact CD1-CD1 4.05Å; L217-L221 HydrophobicContact CG-CD1 4.14Å; L217-L221 WeakPolarHBondContact O-CG 3.37Å; L217-L221 PolarHBondContact O-N 3.42Å; L217-L221 VanDerWaalsContact O-N 3.1Å; G218-L221 PolarHBondContact O-N 3.1Å; L219-L221 VanDerWaalsContact C-N 3.26Å; L219-L221 PolarHBondContact O-N 3.25Å; L221-C223 VanDerWaalsContact C-N 3.26Å; L221-C223 PolarHBondContact O-N 3.24Å
222	G	94.6	Very high	96.4	Very high	70 Å²	70	40.3 Å²	40.3	72%	0.722	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	-0.7	179.6	0	0	0	0	0	115.5	G218 L219	G218-G222 PolarHBondContact O-N 3.17Å; L219-G222 PolarHBondContact O-N 3.04Å
223	C	93.9	Very high	96.5	Very high	15 Å²	15	39.9 Å²	39.9	10%	0.101	23%	0.226	C	C	.	.	S	Bend	trans	-104	-11	-179.7	58.2	0	0	0	0	114	H144 E145 G218 L221	H144-C223 VanDerWaalsContact CB-O 3.3Å; H144-C223 WeakPolarHBondContact CB-O 3.5Å; H144-C223 PolarHBondContact ND1-O 3.17Å; E145-C223 HydrophobicContact CB-CB 3.73Å; E145-C223 HydrophobicContact CG-CB 4.23Å; G218-C223 PolarHBondContact O-N 3.27Å; L221-C223 VanDerWaalsContact C-N 3.26Å; L221-C223 PolarHBondContact O-N 3.24Å
224	G	95.2	Very high	96.5	Very high	17 Å²	17	42.5 Å²	42.5	18%	0.175	24%	0.237	C	C	.	.			trans	74.6	161.9	-169.3	0	0	0	0	0	112.6	H144 G218	H144-G224 PolarHBondContact N-O 3.38Å; G218-G224 PolarHBondContact O-N 3.19Å
225	G	96.2	Very high	96.4	Very high	5 Å²	5	42.5 Å²	42.5	5%	0.052	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	148.7	-173	0	0	0	0	0	112.7	R142 V215	R142-G225 CarbonylContact O-C 3.49Å; R142-G225 VanDerWaalsContact O-CA 3.26Å; R142-G225 WeakPolarHBondContact O-CA 3.43Å; V215-G225 WeakPolarHBondContact CA-O 3.43Å
226	V	96.8	Very high	96.1	Very high	57 Å²	57	40.1 Å²	40.1	35%	0.345	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.2	-178.3	-68.5	0	0	0	0	110.7	F141 R142 H144	F141-V226 CarbonylContact C-O 3.55Å; F141-V226 WeakPolarHBondContact CA-O 3.33Å; R142-V226 HydrophobicContact CB-CG2 3.95Å; R142-V226 PolarHBondContact N-O 3.26Å; R142-V226 PolarHBondContact O-N 3.21Å; H144-V226 WeakPolarHBondContact NE2-CG1 3.17Å
227	M	96.9	Very high	95.6	Very high	20 Å²	20	41 Å²	41	10%	0.099	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.4	173.2	-173.8	-172.6	90.9	0	0	108.9	R211 C214 L230	R211-M227 HydrophobicContact CB-CB 4.47Å; R211-M227 HydrophobicContact CB-CE 4.5Å; R211-M227 HydrophobicContact CB-SD 3.95Å; R211-M227 HydrophobicContact CG-CB 4.25Å; C214-M227 HydrophobicContact CB-CB 4.1Å; M227-L230 HydrophobicContact CE-CB 3.85Å; M227-L230 HydrophobicContact CE-CD2 4.27Å; M227-L230 HydrophobicContact SD-CB 3.83Å; M227-L230 HydrophobicContact SD-CD1 4.34Å; M227-L230 HydrophobicContact SD-CD2 3.9Å; M227-L230 HydrophobicContact SD-CG 4.26Å
228	E	96	Very high	95.5	Very high	98 Å²	98	41.1 Å²	41.1	46%	0.458	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-56.3	179.7	-163.7	80.9	163.5	0	0	110.3	I140 R142	I140-E228 HydrophobicContact CB-CB 4.31Å; I140-E228 HydrophobicContact CG2-CB 3.98Å; I140-E228 PolarHBondContact O-N 3.45Å; R142-E228 IonicContact CZ-OE1 3.58Å; R142-E228 IonicContact NE-OE1 3.45Å; R142-E228 PolarHBondContact NE-OE1 3.43Å; R142-E228 IonicContact NE-OE2 3.31Å; R142-E228 PolarHBondContact NE-OE2 3.01Å; R142-E228 IonicContact NH2-OE1 2.86Å; R142-E228 PolarHBondContact NH2-OE1 3.01Å
229	E	97	Very high	95.4	Very high	95 Å²	95	42.1 Å²	42.1	44%	0.444	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.8	-178.2	-170.2	174.3	174.7	0	0	110.3	C139 I140	C139-E229 WeakPolarHBondContact CA-O 3.42Å; I140-E229 HydrophobicContact CB-CB 4.19Å; I140-E229 HydrophobicContact CD1-CB 4.2Å; I140-E229 HydrophobicContact CG1-CB 4.39Å; I140-E229 PolarHBondContact N-O 2.86Å; I140-E229 PolarHBondContact O-N 3.39Å
230	L	97.9	Very high	95.4	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	131.7	177	-175.2	72.6	0	0	0	109.5	V112 S113 Y137 C139 V210 M227	V112-L230 WeakPolarHBondContact CA-O 3.48Å; V112-L230 HydrophobicContact CG1-CB 4.04Å; V112-L230 HydrophobicContact CG1-CD2 3.83Å; V112-L230 HydrophobicContact CG1-CG 3.9Å; V112-L230 VanDerWaalsContact CG1-O 3.31Å; V112-L230 WeakPolarHBondContact CG1-O 3.32Å; V112-L230 HydrophobicContact CG2-CB 4.02Å; V112-L230 HydrophobicContact CG2-CD2 3.96Å; V112-L230 HydrophobicContact CG2-CG 4.42Å; S113-L230 PolarHBondContact N-O 2.81Å; Y137-L230 HydrophobicContact CD1-CD1 3.91Å; Y137-L230 HydrophobicContact CD1-CD2 3.92Å; Y137-L230 HydrophobicContact CD1-CG 3.85Å; Y137-L230 HydrophobicContact CE1-CD2 4.14Å; Y137-L230 HydrophobicContact CG-CD1 4.07Å; C139-L230 HydrophobicContact CB-CD1 3.59Å; V210-L230 HydrophobicContact CB-CD1 3.9Å; V210-L230 HydrophobicContact CB-CD2 4.13Å; V210-L230 HydrophobicContact CG1-CD1 3.65Å; V210-L230 HydrophobicContact CG2-CD1 4.17Å; V210-L230 HydrophobicContact CG2-CD2 4.42Å; M227-L230 HydrophobicContact CE-CB 3.85Å; M227-L230 HydrophobicContact CE-CD2 4.27Å; M227-L230 HydrophobicContact SD-CB 3.83Å; M227-L230 HydrophobicContact SD-CD1 4.34Å; M227-L230 HydrophobicContact SD-CD2 3.9Å; M227-L230 HydrophobicContact SD-CG 4.26Å
231	R	98.2	Very high	95.4	Very high	62 Å²	62	45 Å²	45	23%	0.234	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.8	171.5	179.8	174.7	178.7	77.7	-5	109.3	D79 S113 Y137 V138 S233 E240	D79-R231 IonicContact OD1-CZ 2.82Å; D79-R231 IonicContact OD1-NH1 3.52Å; D79-R231 PolarHBondContact OD1-NH1 3.4Å; D79-R231 IonicContact OD1-NH2 3.38Å; D79-R231 IonicContact OD2-CZ 2.7Å; D79-R231 IonicContact OD2-NH1 3.52Å; D79-R231 PolarHBondContact OD2-NH1 2.84Å; D79-R231 IonicContact OD2-NH2 3.51Å; D79-R231 PolarHBondContact OD2-NH2 3.48Å; S113-R231 WeakPolarHBondContact O-CA 3.5Å; Y137-R231 CarbonylContact C-O 3.59Å; Y137-R231 VanDerWaalsContact CA-O 3.28Å; Y137-R231 WeakPolarHBondContact CA-O 3.35Å; V138-R231 PolarHBondContact N-O 3.14Å; V138-R231 PolarHBondContact O-N 2.88Å; R231-S233 PolarHBondContact O-N 3.2Å; R231-E240 IonicContact CZ-OE2 2.75Å; R231-E240 IonicContact NE-OE2 3.56Å; R231-E240 PolarHBondContact NE-OE2 2.76Å; R231-E240 IonicContact NH2-OE2 2.88Å
232	R	98.1	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	99.4	171.2	-169.9	161.8	65.7	-162.3	2	109.4	G106 L108 S113 G114 C115 L116 E136 Y137 K234	G106-R232 PolarHBondContact O-NH1 3.27Å; G106-R232 VanDerWaalsContact O-NH1 3.11Å; G106-R232 PolarHBondContact O-NH2 2.91Å; L108-R232 HydrophobicContact CD1-CB 4.42Å; L108-R232 HydrophobicContact CD2-CB 3.9Å; L108-R232 HydrophobicContact CD2-CG 4.48Å; L108-R232 VanDerWaalsContact CD2-NH1 3.27Å; S113-R232 PolarHBondContact O-N 3.37Å; G114-R232 CarbonylContact C-O 3.58Å; C115-R232 WeakPolarHBondContact CB-O 3.43Å; C115-R232 PolarHBondContact N-O 2.87Å; C115-R232 PolarHBondContact O-NE 3.14Å; C115-R232 PolarHBondContact O-NH2 3.08Å; C115-R232 PolarHBondContact SG-O 3.12Å; L116-R232 VanDerWaalsContact CD1-NH2 3.29Å; E136-R232 CarbonylContact O-C 3.57Å; E136-R232 WeakPolarHBondContact O-CA 3.41Å; E136-R232 WeakPolarHBondContact O-CG 3.5Å; Y137-R232 HydrophobicContact CD1-CB 3.69Å; Y137-R232 HydrophobicContact CD1-CG 3.93Å; Y137-R232 HydrophobicContact CE1-CB 3.54Å; Y137-R232 HydrophobicContact CE1-CG 3.59Å; R232-K234 VanDerWaalsContact C-N 3.3Å; R232-K234 WeakPolarHBondContact CG-O 3.44Å; R232-K234 PolarHBondContact O-N 2.84Å
233	S	97.7	Very high	95.3	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-23.2	179	60.5	0	0	0	0	112.5	C115 E136 R231 S239 E240	C115-S233 PolarHBondContact SG-O 3.32Å; E136-S233 WeakPolarHBondContact CB-OG 3.47Å; E136-S233 WeakPolarHBondContact CG-OG 3.33Å; E136-S233 PolarHBondContact O-N 2.79Å; E136-S233 PolarHBondContact O-OG 2.66Å; E136-S233 PolarHBondContact OE1-OG 3.17Å; R231-S233 PolarHBondContact O-N 3.2Å; S233-S239 CarbonylContact O-C 3.56Å; S233-S239 VanDerWaalsContact O-CA 3.24Å; S233-S239 WeakPolarHBondContact O-CA 3.34Å; S233-E240 PolarHBondContact O-N 2.97Å
234	K	97.4	Very high	95.4	Very high	57 Å²	57	46.6 Å²	46.6	25%	0.248	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	144.8	-179.3	-165.1	-179.4	172.3	-178.1	0	113.3	K135 E136 R232 G236 M238	K135-K234 WeakPolarHBondContact CA-O 3.38Å; E136-K234 HydrophobicContact CB-CB 3.54Å; E136-K234 HydrophobicContact CB-CD 4.47Å; E136-K234 PolarHBondContact N-O 2.68Å; E136-K234 PolarHBondContact O-N 2.8Å; R232-K234 VanDerWaalsContact C-N 3.3Å; R232-K234 WeakPolarHBondContact CG-O 3.44Å; R232-K234 PolarHBondContact O-N 2.84Å; K234-G236 VanDerWaalsContact CE-O 3.28Å; K234-G236 WeakPolarHBondContact CE-O 3.16Å; K234-M238 WeakPolarHBondContact CA-O 3.44Å; K234-M238 VanDerWaalsContact CG-O 3.24Å; K234-M238 WeakPolarHBondContact CG-O 3.45Å
235	T	94.8	Very high	95.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120.5	169.6	178.5	0	0	0	0	109.5	S105 C115 I117 K135 F237 M238	S105-T235 PolarHBondContact OG-OG1 3.04Å; C115-T235 HydrophobicContact CB-CG2 4.01Å; I117-T235 HydrophobicContact CD1-CG2 3.7Å; I117-T235 HydrophobicContact CG1-CG2 3.72Å; K135-T235 PolarHBondContact NZ-OG1 3.31Å; T235-F237 PolarHBondContact O-N 2.73Å; T235-F237 VanDerWaalsContact O-N 3.08Å; T235-M238 PolarHBondContact N-O 3.44Å; T235-M238 PolarHBondContact O-N 2.83Å; T235-M238 VanDerWaalsContact O-N 3.14Å
236	G	89.3	Confident	95.7	Very high	13 Å²	13	48.3 Å²	48.3	13%	0.134	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-115.2	-173.4	0	0	0	0	0	111.8	A133 G134 K234	A133-G236 VanDerWaalsContact CB-CA 3.49Å; G134-G236 PolarHBondContact O-N 2.87Å; K234-G236 VanDerWaalsContact CE-O 3.28Å; K234-G236 WeakPolarHBondContact CE-O 3.16Å
237	F	87.2	Confident	95.6	Very high	67 Å²	67	47 Å²	47	29%	0.294	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-12	-175.4	-57.7	-63.5	0	0	0	114.4	T235 L276 K279 H280	T235-F237 PolarHBondContact O-N 2.73Å; T235-F237 VanDerWaalsContact O-N 3.08Å; F237-L276 WeakPolarHBondContact CD2-O 3.12Å; F237-K279 HydrophobicContact CD1-CB 3.82Å; F237-K279 HydrophobicContact CD1-CD 3.47Å; F237-K279 VanDerWaalsContact CD1-CD 3.47Å; F237-K279 HydrophobicContact CD1-CG 3.65Å; F237-K279 HydrophobicContact CE1-CB 3.59Å; F237-K279 HydrophobicContact CE1-CD 3.78Å; F237-K279 HydrophobicContact CE1-CG 3.94Å; F237-K279 HydrophobicContact CG-CG 4.35Å; F237-K279 HydrophobicContact CZ-CB 4.18Å; F237-H280 AromaticContact CE2-CE1 3.59Å; F237-H280 AromaticContact CZ-CE1 4Å
238	M	93.9	Very high	95.7	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.9	-175.9	-56.1	-162.8	73.5	0	0	111.2	N77 I117 K234 T235 D242 M271 L276	N77-M238 HydrophobicContact CB-CE 3.48Å; N77-M238 VanDerWaalsContact CB-CE 3.48Å; N77-M238 HydrophobicContact CB-SD 3.96Å; I117-M238 HydrophobicContact CD1-CB 4Å; I117-M238 HydrophobicContact CD1-CG 3.9Å; I117-M238 HydrophobicContact CD1-SD 4.07Å; I117-M238 HydrophobicContact CG1-CB 4.23Å; I117-M238 HydrophobicContact CG1-CG 4.3Å; I117-M238 HydrophobicContact CG1-SD 3.97Å; K234-M238 WeakPolarHBondContact CA-O 3.44Å; K234-M238 VanDerWaalsContact CG-O 3.24Å; K234-M238 WeakPolarHBondContact CG-O 3.45Å; T235-M238 PolarHBondContact N-O 3.44Å; T235-M238 PolarHBondContact O-N 2.83Å; T235-M238 VanDerWaalsContact O-N 3.14Å; M238-D242 HydrophobicContact CB-CB 4.44Å; M238-D242 HydrophobicContact CE-CB 4.12Å; M238-D242 WeakPolarHBondContact CE-O 3.49Å; M238-M271 HydrophobicContact CE-CE 3.53Å; M238-M271 HydrophobicContact CE-SD 3.88Å; M238-L276 HydrophobicContact CG-CD2 3.82Å; M238-L276 HydrophobicContact SD-CD2 3.49Å; M238-L276 WeakPolarHBondContact SD-CD2 3.38Å
239	S	96.1	Very high	95.8	Very high	22 Å²	22	49.6 Å²	49.6	15%	0.154	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	174.7	173	69.3	0	0	0	0	111.4	N77 C115 S233 R241 D242	N77-S239 PolarHBondContact ND2-O 2.85Å; C115-S239 VanDerWaalsContact SG-C 3.54Å; S233-S239 CarbonylContact O-C 3.56Å; S233-S239 VanDerWaalsContact O-CA 3.24Å; S233-S239 WeakPolarHBondContact O-CA 3.34Å; S239-R241 PolarHBondContact O-N 3.06Å; S239-R241 VanDerWaalsContact O-N 3.17Å; S239-R241 PolarHBondContact OG-N 3.1Å; S239-D242 WeakPolarHBondContact CB-OD2 3.46Å; S239-D242 PolarHBondContact N-OD2 2.89Å; S239-D242 WeakPolarHBondContact O-CB 3.14Å; S239-D242 PolarHBondContact O-N 3.36Å; S239-D242 PolarHBondContact OG-OD2 2.88Å
240	E	95.3	Very high	95.8	Very high	72 Å²	72	45 Å²	45	34%	0.336	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.9	172.5	61.4	-176	-173.4	0	0	112.9	C115 R231 S233 D242 L244	C115-E240 VanDerWaalsContact SG-CA 3.53Å; C115-E240 PolarHBondContact SG-N 3.31Å; R231-E240 IonicContact CZ-OE2 2.75Å; R231-E240 IonicContact NE-OE2 3.56Å; R231-E240 PolarHBondContact NE-OE2 2.76Å; R231-E240 IonicContact NH2-OE2 2.88Å; S233-E240 PolarHBondContact O-N 2.97Å; E240-D242 VanDerWaalsContact C-N 3.34Å; E240-L244 HydrophobicContact CB-CD2 3.94Å; E240-L244 VanDerWaalsContact O-CB 3.28Å; E240-L244 WeakPolarHBondContact O-CB 2.92Å
241	R	95.1	Very high	95.8	Very high	219 Å²	219	48.7 Å²	48.7	83%	0.826	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.6	175.2	-56	-179.2	-174.6	172.6	-0.1	112.7	S239 N243	S239-R241 PolarHBondContact O-N 3.06Å; S239-R241 VanDerWaalsContact O-N 3.17Å; S239-R241 PolarHBondContact OG-N 3.1Å; R241-N243 PolarHBondContact O-N 3.05Å
242	D	93.6	Very high	95.8	Very high	56 Å²	56	49.9 Å²	49.9	30%	0.299	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	76.6	-175.5	-64.8	-65.9	0	0	0	111.2	N77 M238 S239 E240 L244	N77-D242 PolarHBondContact ND2-O 3.27Å; M238-D242 HydrophobicContact CB-CB 4.44Å; M238-D242 HydrophobicContact CE-CB 4.12Å; M238-D242 WeakPolarHBondContact CE-O 3.49Å; S239-D242 WeakPolarHBondContact CB-OD2 3.46Å; S239-D242 PolarHBondContact N-OD2 2.89Å; S239-D242 WeakPolarHBondContact O-CB 3.14Å; S239-D242 PolarHBondContact O-N 3.36Å; S239-D242 PolarHBondContact OG-OD2 2.88Å; E240-D242 VanDerWaalsContact C-N 3.34Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 2.66Å
243	N	94.3	Very high	95.8	Very high	56 Å²	56	49.9 Å²	49.9	30%	0.299	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	52.5	176.4	-168.6	49.8	0	0	0	112.3	R241 R268 M271	R241-N243 PolarHBondContact O-N 3.05Å; N243-R268 PolarHBondContact ND2-O 2.81Å; N243-M271 HydrophobicContact CB-CE 4.26Å; N243-M271 HydrophobicContact CB-SD 3.86Å; N243-M271 PolarHBondContact ND2-SD 2.75Å
244	L	97.2	Very high	95.8	Very high	42 Å²	42	51.8 Å²	51.8	22%	0.22	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.9	175.8	-168	75.1	0	0	0	108.9	N77 D79 C115 E240 D242	N77-L244 WeakPolarHBondContact O-CA 3.47Å; D79-L244 HydrophobicContact CB-CD1 4.18Å; D79-L244 HydrophobicContact CB-CD2 3.65Å; D79-L244 HydrophobicContact CB-CG 3.77Å; D79-L244 VanDerWaalsContact OD2-CD2 3.32Å; D79-L244 WeakPolarHBondContact OD2-CD2 3.28Å; C115-L244 HydrophobicContact CB-CD1 4.38Å; E240-L244 HydrophobicContact CB-CD2 3.94Å; E240-L244 VanDerWaalsContact O-CB 3.28Å; E240-L244 WeakPolarHBondContact O-CB 2.92Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 2.66Å
245	V	97.8	Very high	95.8	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.8	-177.4	-59.5	0	0	0	0	110.6	I76 N77 L78 D79 D249 V269	I76-V245 HydrophobicContact CG2-CG2 3.37Å; N77-V245 WeakPolarHBondContact O-CG2 3.3Å; N77-V245 PolarHBondContact O-N 3.19Å; L78-V245 CarbonylContact C-O 3.57Å; L78-V245 WeakPolarHBondContact CA-O 3.3Å; L78-V245 WeakPolarHBondContact CD1-O 3.41Å; D79-V245 PolarHBondContact N-O 3.08Å; V245-D249 HydrophobicContact CB-CB 4.24Å; V245-V269 HydrophobicContact CG1-CG2 4.43Å; V245-V269 HydrophobicContact CG2-CG1 4.21Å
246	T	98.1	Very high	95.9	Very high	52 Å²	52	57.1 Å²	57.1	32%	0.319	27%	0.272	S	S	.	.			trans	-96	170.8	176.6	69.2	0	0	0	0	111.2	H248 D249 I250	T246-H248 PolarHBondContact O-N 3.09Å; T246-H248 PolarHBondContact OG1-N 3.41Å; T246-D249 WeakPolarHBondContact CB-OD2 2.92Å; T246-D249 PolarHBondContact N-OD2 3.45Å; T246-D249 PolarHBondContact O-N 2.81Å; T246-D249 VanDerWaalsContact OG1-CG 3.24Å; T246-D249 PolarHBondContact OG1-N 2.88Å; T246-D249 PolarHBondContact OG1-OD2 3.22Å; T246-I250 PolarHBondContact O-N 2.84Å
247	M	96.6	Very high	96.3	Very high	29 Å²	29	59.2 Å²	59.2	14%	0.143	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-32.6	171.5	-74.6	-61.8	-60.6	0	0	112.6	L78 V89 W92 V93 I250 L251	L78-M247 HydrophobicContact CD1-CG 4.21Å; L78-M247 HydrophobicContact CD1-SD 3.92Å; L78-M247 HydrophobicContact CD2-SD 4.02Å; V89-M247 HydrophobicContact CG1-CG 4.49Å; V89-M247 HydrophobicContact CG1-SD 3.99Å; W92-M247 HydrophobicContact CB-CE 3.69Å; V93-M247 HydrophobicContact CG2-CE 4.01Å; V93-M247 HydrophobicContact CG2-SD 3.51Å; V93-M247 VanDerWaalsContact CG2-SD 3.51Å; M247-I250 PolarHBondContact O-N 3.16Å; M247-I250 HydrophobicContact SD-CD1 4.19Å; M247-L251 WeakPolarHBondContact O-CG 3.32Å; M247-L251 PolarHBondContact O-N 2.98Å; M247-L251 VanDerWaalsContact O-N 3.09Å
248	H	97.6	Very high	96.7	Very high	131 Å²	131	59.4 Å²	59.4	61%	0.606	28%	0.281	S	S	*	.	H	α-helix	trans	-63.7	-44.2	176.7	-58	98.4	0	0	0	110.5	T246 I250 L251 D252	T246-H248 PolarHBondContact O-N 3.09Å; T246-H248 PolarHBondContact OG1-N 3.41Å; H248-I250 VanDerWaalsContact C-N 3.26Å; H248-I250 PolarHBondContact O-N 3.46Å; H248-L251 PolarHBondContact O-N 3.1Å; H248-L251 VanDerWaalsContact O-N 3.1Å; H248-D252 WeakPolarHBondContact O-CB 3.49Å; H248-D252 VanDerWaalsContact O-CG 3.3Å; H248-D252 PolarHBondContact O-N 2.95Å
249	D	98.2	Very high	96.9	Very high	41 Å²	41	64 Å²	64	22%	0.219	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-37.8	177.5	-55.5	-47.4	0	0	0	112.1	V245 T246 A253 Y265 V269	V245-D249 HydrophobicContact CB-CB 4.24Å; T246-D249 WeakPolarHBondContact CB-OD2 2.92Å; T246-D249 PolarHBondContact N-OD2 3.45Å; T246-D249 PolarHBondContact O-N 2.81Å; T246-D249 VanDerWaalsContact OG1-CG 3.24Å; T246-D249 PolarHBondContact OG1-N 2.88Å; T246-D249 PolarHBondContact OG1-OD2 3.22Å; D249-A253 WeakPolarHBondContact O-CB 3.49Å; D249-A253 PolarHBondContact O-N 3.26Å; D249-Y265 HydrophobicContact CB-CE2 4.46Å; D249-Y265 WeakPolarHBondContact CB-OH 3.38Å; D249-Y265 PolarHBondContact OD1-OH 3.23Å; D249-V269 HydrophobicContact CB-CG2 4.17Å
250	I	98.1	Very high	96.9	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.5	-44.4	176.8	-64.1	171	0	0	0	111.1	I76 L78 V93 A96 L97 T246 M247 H248 K254 V269	I76-I250 HydrophobicContact CD1-CD1 4.17Å; I76-I250 HydrophobicContact CG2-CD1 4.12Å; L78-I250 HydrophobicContact CD1-CD1 3.73Å; V93-I250 HydrophobicContact CG1-CD1 4.41Å; V93-I250 HydrophobicContact CG2-CD1 3.82Å; A96-I250 HydrophobicContact CB-CG2 4.29Å; L97-I250 HydrophobicContact CD1-CG2 4.44Å; L97-I250 HydrophobicContact CD2-CG2 3.91Å; L97-I250 HydrophobicContact CG-CG2 4.02Å; T246-I250 PolarHBondContact O-N 2.84Å; M247-I250 PolarHBondContact O-N 3.16Å; M247-I250 HydrophobicContact SD-CD1 4.19Å; H248-I250 VanDerWaalsContact C-N 3.26Å; H248-I250 PolarHBondContact O-N 3.46Å; I250-K254 WeakPolarHBondContact O-CB 3.45Å; I250-K254 PolarHBondContact O-N 3.12Å; I250-V269 HydrophobicContact CB-CG1 4.46Å; I250-V269 HydrophobicContact CG1-CG1 3.62Å
251	L	97.7	Very high	96.9	Very high	89 Å²	89	76.4 Å²	76.4	47%	0.466	35%	0.345	S	S	.	.	H	α-helix	trans	-66.1	-45.9	179.4	-70.3	170.6	0	0	0	111.1	A96 M247 H248 A253 K254 W255	A96-L251 HydrophobicContact CB-CD2 3.85Å; M247-L251 WeakPolarHBondContact O-CG 3.32Å; M247-L251 PolarHBondContact O-N 2.98Å; M247-L251 VanDerWaalsContact O-N 3.09Å; H248-L251 PolarHBondContact O-N 3.1Å; H248-L251 VanDerWaalsContact O-N 3.1Å; L251-A253 PolarHBondContact O-N 3.02Å; L251-K254 PolarHBondContact O-N 2.9Å; L251-W255 WeakPolarHBondContact O-CB 3.48Å; L251-W255 PolarHBondContact O-N 3.37Å
252	D	98.1	Very high	97	Very high	87 Å²	87	68.7 Å²	68.7	47%	0.465	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-41.2	178.7	-68.3	-14.8	0	0	0	111.3	H248 K254 W255 L256 Y265	H248-D252 WeakPolarHBondContact O-CB 3.49Å; H248-D252 VanDerWaalsContact O-CG 3.3Å; H248-D252 PolarHBondContact O-N 2.95Å; D252-K254 PolarHBondContact O-N 3.42Å; D252-W255 PolarHBondContact O-N 2.85Å; D252-L256 VanDerWaalsContact O-CB 3.29Å; D252-L256 WeakPolarHBondContact O-CB 3.35Å; D252-L256 PolarHBondContact O-N 2.75Å; D252-Y265 HydrophobicContact CB-CD1 4.31Å; D252-Y265 HydrophobicContact CB-CE1 3.62Å
253	A	97.7	Very high	97.1	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-43.1	175.6	0	0	0	0	0	111.8	D249 L251 Y257 Y265 L266 V269	D249-A253 WeakPolarHBondContact O-CB 3.49Å; D249-A253 PolarHBondContact O-N 3.26Å; L251-A253 PolarHBondContact O-N 3.02Å; A253-Y257 PolarHBondContact O-N 3.01Å; A253-Y265 HydrophobicContact CB-CD1 3.82Å; A253-Y265 HydrophobicContact CB-CD2 4.12Å; A253-Y265 HydrophobicContact CB-CE1 4.38Å; A253-Y265 HydrophobicContact CB-CG 3.67Å; A253-L266 HydrophobicContact CB-CD2 3.83Å; A253-L266 HydrophobicContact CB-CG 4.15Å; A253-V269 HydrophobicContact CB-CB 4.41Å; A253-V269 HydrophobicContact CB-CG2 3.89Å
254	K	97	Very high	97.1	Very high	44 Å²	44	70.7 Å²	70.7	19%	0.191	33%	0.333	C	S	.	.	H	α-helix	trans	-65.2	-45.5	176	-174.8	68.2	164.7	71.4	0	111.6	A96 L97 I250 L251 D252 L256 Y257 D258	A96-K254 WeakPolarHBondContact O-CE 3.36Å; A96-K254 VanDerWaalsContact O-CG 3.31Å; A96-K254 WeakPolarHBondContact O-CG 3.41Å; L97-K254 HydrophobicContact CD2-CD 4.46Å; I250-K254 WeakPolarHBondContact O-CB 3.45Å; I250-K254 PolarHBondContact O-N 3.12Å; L251-K254 PolarHBondContact O-N 2.9Å; D252-K254 PolarHBondContact O-N 3.42Å; K254-L256 VanDerWaalsContact C-N 3.32Å; K254-L256 PolarHBondContact O-N 3.33Å; K254-Y257 PolarHBondContact O-N 3.02Å; K254-D258 IonicContact NZ-OD1 3.27Å; K254-D258 PolarHBondContact NZ-OD1 3.01Å; K254-D258 IonicContact NZ-OD2 2.78Å; K254-D258 PolarHBondContact NZ-OD2 2.92Å; K254-D258 PolarHBondContact O-N 2.71Å
255	W	97.5	Very high	97.1	Very high	141 Å²	141	71 Å²	71	53%	0.534	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-44.7	178.6	-176.7	94.4	0	0	0	111.2	L251 D252 Y257 D258 N259	L251-W255 WeakPolarHBondContact O-CB 3.48Å; L251-W255 PolarHBondContact O-N 3.37Å; D252-W255 PolarHBondContact O-N 2.85Å; W255-Y257 VanDerWaalsContact C-N 3.32Å; W255-Y257 PolarHBondContact O-N 2.81Å; W255-D258 PolarHBondContact O-N 2.86Å; W255-N259 VanDerWaalsContact CD1-ND2 3.34Å; W255-N259 VanDerWaalsContact CE2-ND2 3.32Å; W255-N259 HydrophobicContact CH2-CB 4.42Å; W255-N259 HydrophobicContact CZ2-CB 4.32Å; W255-N259 PolarHBondContact NE1-ND2 3.28Å; W255-N259 WeakPolarHBondContact O-CB 3.5Å; W255-N259 PolarHBondContact O-N 3.18Å; W255-N259 PolarHBondContact O-ND2 3.06Å
256	L	97.7	Very high	97	Very high	27 Å²	27	70.8 Å²	70.8	14%	0.141	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-42.8	178.9	-176.5	66.2	0	0	0	111.6	D252 K254 R260 D262 Y265	D252-L256 VanDerWaalsContact O-CB 3.29Å; D252-L256 WeakPolarHBondContact O-CB 3.35Å; D252-L256 PolarHBondContact O-N 2.75Å; K254-L256 VanDerWaalsContact C-N 3.32Å; K254-L256 PolarHBondContact O-N 3.33Å; L256-R260 HydrophobicContact CD1-CB 4.23Å; L256-R260 HydrophobicContact CD1-CG 4.19Å; L256-R260 WeakPolarHBondContact O-CA 3.1Å; L256-R260 WeakPolarHBondContact O-CB 3.49Å; L256-R260 PolarHBondContact O-N 2.86Å; L256-D262 HydrophobicContact CD1-CB 4.47Å; L256-D262 HydrophobicContact CD2-CB 4.28Å; L256-D262 HydrophobicContact CG-CB 4.03Å; L256-Y265 HydrophobicContact CD2-CD1 4.36Å
257	Y	97.1	Very high	97	Very high	57 Å²	57	71.4 Å²	71.4	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-46	176.3	175.2	-107.4	0	0	0	112.6	L67 A253 K254 W255 N259 R261 D262 E263 L266	L67-Y257 HydrophobicContact CD2-CD2 3.74Å; L67-Y257 HydrophobicContact CD2-CE1 4.09Å; L67-Y257 HydrophobicContact CD2-CE2 3.22Å; L67-Y257 HydrophobicContact CD2-CG 4.35Å; L67-Y257 VanDerWaalsContact CD2-CZ 3.42Å; A253-Y257 PolarHBondContact O-N 3.01Å; K254-Y257 PolarHBondContact O-N 3.02Å; W255-Y257 VanDerWaalsContact C-N 3.32Å; W255-Y257 PolarHBondContact O-N 2.81Å; Y257-N259 VanDerWaalsContact C-N 3.34Å; Y257-N259 PolarHBondContact O-N 2.94Å; Y257-R261 WeakPolarHBondContact O-CA 3.32Å; Y257-R261 PolarHBondContact O-N 2.57Å; Y257-D262 WeakPolarHBondContact CA-O 3.22Å; Y257-E263 HydrophobicContact CD2-CG 4.03Å; Y257-E263 HydrophobicContact CE2-CG 3.97Å; Y257-L266 VanDerWaalsContact CB-CD1 3.41Å; Y257-L266 HydrophobicContact CD1-CD1 3.94Å; Y257-L266 HydrophobicContact CD2-CD1 4.16Å; Y257-L266 HydrophobicContact CG-CD1 3.56Å
258	D	96.5	Very high	96.9	Very high	72 Å²	72	77.8 Å²	77.8	39%	0.385	35%	0.349	S	S	.	.	H	α-helix	trans	-66.3	-37.9	-176.6	-69.6	-17.8	0	0	0	112.1	K254 W255	K254-D258 IonicContact NZ-OD1 3.27Å; K254-D258 PolarHBondContact NZ-OD1 3.01Å; K254-D258 IonicContact NZ-OD2 2.78Å; K254-D258 PolarHBondContact NZ-OD2 2.92Å; K254-D258 PolarHBondContact O-N 2.71Å; W255-D258 PolarHBondContact O-N 2.86Å
259	N	97.7	Very high	96.9	Very high	101 Å²	101	71.6 Å²	71.6	54%	0.54	32%	0.321	S	S	.	.	H	α-helix	trans	-92.9	-34	-174	-67.5	-83.8	0	0	0	113.7	W255 Y257	W255-N259 VanDerWaalsContact CD1-ND2 3.34Å; W255-N259 VanDerWaalsContact CE2-ND2 3.32Å; W255-N259 HydrophobicContact CH2-CB 4.42Å; W255-N259 HydrophobicContact CZ2-CB 4.32Å; W255-N259 PolarHBondContact NE1-ND2 3.28Å; W255-N259 WeakPolarHBondContact O-CB 3.5Å; W255-N259 PolarHBondContact O-N 3.18Å; W255-N259 PolarHBondContact O-ND2 3.06Å; Y257-N259 VanDerWaalsContact C-N 3.34Å; Y257-N259 PolarHBondContact O-N 2.94Å
260	R	97.2	Very high	96.9	Very high	176 Å²	176	69.7 Å²	69.7	66%	0.664	31%	0.31	S	S	*	.	H	α-helix	trans	-116	-2.8	-175.6	-58.4	-167.4	-177.9	170.1	-2.9	114.2	L256 D262	L256-R260 HydrophobicContact CD1-CB 4.23Å; L256-R260 HydrophobicContact CD1-CG 4.19Å; L256-R260 WeakPolarHBondContact O-CA 3.1Å; L256-R260 WeakPolarHBondContact O-CB 3.49Å; L256-R260 PolarHBondContact O-N 2.86Å; R260-D262 HydrophobicContact CB-CB 4.39Å; R260-D262 PolarHBondContact O-N 3.03Å; R260-D262 VanDerWaalsContact O-N 3.16Å
261	R	95.2	Very high	96.8	Very high	177 Å²	177	70.3 Å²	70.3	67%	0.668	31%	0.313	S	S	*	.			trans	55.7	25.6	-173.4	-55.9	-61.4	-176.4	170.4	-1.6	113.2	Y257	Y257-R261 WeakPolarHBondContact O-CA 3.32Å; Y257-R261 PolarHBondContact O-N 2.57Å
262	D	96.1	Very high	96.8	Very high	57 Å²	57	66.3 Å²	66.3	31%	0.305	29%	0.293	S	S	.	.			trans	-93.1	115.2	178.3	178.6	2.2	0	0	0	110.1	L256 Y257 R260 T264	L256-D262 HydrophobicContact CD1-CB 4.47Å; L256-D262 HydrophobicContact CD2-CB 4.28Å; L256-D262 HydrophobicContact CG-CB 4.03Å; Y257-D262 WeakPolarHBondContact CA-O 3.22Å; R260-D262 HydrophobicContact CB-CB 4.39Å; R260-D262 PolarHBondContact O-N 3.03Å; R260-D262 VanDerWaalsContact O-N 3.16Å; D262-T264 VanDerWaalsContact CG-OG1 3.25Å; D262-T264 VanDerWaalsContact OD1-CB 3.25Å; D262-T264 WeakPolarHBondContact OD1-CB 3.42Å; D262-T264 WeakPolarHBondContact OD1-CG2 3.38Å; D262-T264 PolarHBondContact OD1-N 3.34Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å; D262-T264 PolarHBondContact OD2-OG1 3.34Å
263	E	95.3	Very high	96.7	Very high	61 Å²	61	62.3 Å²	62.3	29%	0.285	27%	0.271	S	S	.	.			trans	-86.4	-9.4	-177.5	-51.1	-169.1	167.6	0	0	113.6	L67 Y257 Y265 L266 R267	L67-E263 WeakPolarHBondContact CB-OE1 3.46Å; L67-E263 HydrophobicContact CD1-CB 4.21Å; L67-E263 HydrophobicContact CD1-CG 4.39Å; L67-E263 HydrophobicContact CD2-CB 4.45Å; L67-E263 HydrophobicContact CD2-CG 3.89Å; Y257-E263 HydrophobicContact CD2-CG 4.03Å; Y257-E263 HydrophobicContact CE2-CG 3.97Å; E263-Y265 VanDerWaalsContact C-N 3.34Å; E263-Y265 PolarHBondContact O-N 2.95Å; E263-L266 PolarHBondContact O-N 3.39Å; E263-R267 HydrophobicContact CB-CG 4.5Å; E263-R267 WeakPolarHBondContact O-CB 3.47Å; E263-R267 WeakPolarHBondContact O-CG 3.46Å; E263-R267 PolarHBondContact O-N 3.1Å; E263-R267 IonicContact OE2-CZ 3.5Å; E263-R267 VanDerWaalsContact OE2-CZ 3.32Å; E263-R267 IonicContact OE2-NE 3.99Å; E263-R267 PolarHBondContact OE2-NE 3.32Å; E263-R267 IonicContact OE2-NH2 3.41Å; E263-R267 PolarHBondContact OE2-NH2 3.18Å
264	T	95.5	Very high	96.7	Very high	94 Å²	94	62.3 Å²	62.3	58%	0.577	27%	0.271	S	S	*	.	H	α-helix	trans	-59.6	-44.7	-168.8	56.5	0	0	0	0	111.9	D262 R267 R268	D262-T264 VanDerWaalsContact CG-OG1 3.25Å; D262-T264 VanDerWaalsContact OD1-CB 3.25Å; D262-T264 WeakPolarHBondContact OD1-CB 3.42Å; D262-T264 WeakPolarHBondContact OD1-CG2 3.38Å; D262-T264 PolarHBondContact OD1-N 3.34Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å; D262-T264 PolarHBondContact OD2-OG1 3.34Å; T264-R267 PolarHBondContact O-N 3.48Å; T264-R268 PolarHBondContact O-N 2.83Å; T264-R268 VanDerWaalsContact O-N 3.1Å
265	Y	97	Very high	96.6	Very high	49 Å²	49	63.8 Å²	63.8	19%	0.192	28%	0.278	C	S	.	.	H	α-helix	trans	-71.6	-39.5	-178.7	-160.6	-174.8	0	0	0	111.9	D249 D252 A253 L256 E263 R267 R268 V269	D249-Y265 HydrophobicContact CB-CE2 4.46Å; D249-Y265 WeakPolarHBondContact CB-OH 3.38Å; D249-Y265 PolarHBondContact OD1-OH 3.23Å; D252-Y265 HydrophobicContact CB-CD1 4.31Å; D252-Y265 HydrophobicContact CB-CE1 3.62Å; A253-Y265 HydrophobicContact CB-CD1 3.82Å; A253-Y265 HydrophobicContact CB-CD2 4.12Å; A253-Y265 HydrophobicContact CB-CE1 4.38Å; A253-Y265 HydrophobicContact CB-CG 3.67Å; L256-Y265 HydrophobicContact CD2-CD1 4.36Å; E263-Y265 VanDerWaalsContact C-N 3.34Å; E263-Y265 PolarHBondContact O-N 2.95Å; Y265-R267 VanDerWaalsContact C-N 3.33Å; Y265-R267 PolarHBondContact O-N 3.46Å; Y265-R268 HydrophobicContact CD2-CB 4.44Å; Y265-R268 WeakPolarHBondContact O-CB 3.3Å; Y265-R268 PolarHBondContact O-N 2.88Å; Y265-R268 VanDerWaalsContact O-N 3.12Å; Y265-V269 HydrophobicContact CD2-CG2 3.85Å; Y265-V269 HydrophobicContact CE2-CG2 3.76Å; Y265-V269 WeakPolarHBondContact O-CG2 3.38Å; Y265-V269 PolarHBondContact O-N 2.87Å
266	L	96.3	Very high	96.5	Very high	2 Å²	2	57 Å²	57	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-42.4	173.6	-81.1	178.2	0	0	0	111.9	L67 L97 A253 Y257 E263 R268 V269 I270	L67-L266 HydrophobicContact CD2-CD1 4.27Å; L97-L266 HydrophobicContact CD2-CD2 3.98Å; A253-L266 HydrophobicContact CB-CD2 3.83Å; A253-L266 HydrophobicContact CB-CG 4.15Å; Y257-L266 VanDerWaalsContact CB-CD1 3.41Å; Y257-L266 HydrophobicContact CD1-CD1 3.94Å; Y257-L266 HydrophobicContact CD2-CD1 4.16Å; Y257-L266 HydrophobicContact CG-CD1 3.56Å; E263-L266 PolarHBondContact O-N 3.39Å; L266-R268 PolarHBondContact O-N 3.45Å; L266-V269 PolarHBondContact O-N 2.89Å; L266-I270 HydrophobicContact CD2-CD1 4.27Å; L266-I270 WeakPolarHBondContact O-CB 3.42Å; L266-I270 PolarHBondContact O-N 3.37Å
267	R	96.4	Very high	96.4	Very high	65 Å²	65	55.8 Å²	55.8	25%	0.245	25%	0.245	C	C	.	.	H	α-helix	trans	-68	-22.5	177.3	-71.1	178.2	-179.7	-82.6	-2	113.1	L63 R65 L67 Y70 E263 T264 Y265 I270	L63-R267 PolarHBondContact O-NH1 2.93Å; R65-R267 PolarHBondContact O-NH1 3.47Å; R65-R267 VanDerWaalsContact O-NH1 3.1Å; R65-R267 PolarHBondContact O-NH2 3.39Å; L67-R267 HydrophobicContact CD1-CG 4.25Å; Y70-R267 HydrophobicContact CD1-CG 4.4Å; Y70-R267 HydrophobicContact CE1-CB 4.39Å; Y70-R267 HydrophobicContact CE1-CG 4.16Å; Y70-R267 PolarHBondContact OH-O 3.38Å; E263-R267 HydrophobicContact CB-CG 4.5Å; E263-R267 WeakPolarHBondContact O-CB 3.47Å; E263-R267 WeakPolarHBondContact O-CG 3.46Å; E263-R267 PolarHBondContact O-N 3.1Å; E263-R267 IonicContact OE2-CZ 3.5Å; E263-R267 VanDerWaalsContact OE2-CZ 3.32Å; E263-R267 IonicContact OE2-NE 3.99Å; E263-R267 PolarHBondContact OE2-NE 3.32Å; E263-R267 IonicContact OE2-NH2 3.41Å; E263-R267 PolarHBondContact OE2-NH2 3.18Å; T264-R267 PolarHBondContact O-N 3.48Å; Y265-R267 VanDerWaalsContact C-N 3.33Å; Y265-R267 PolarHBondContact O-N 3.46Å; R267-I270 CarbonylContact C-O 3.59Å
268	R	95.1	Very high	96.2	Very high	163 Å²	163	56 Å²	56	62%	0.615	25%	0.25	S	C	*	.	H	α-helix	trans	-78.2	-44.5	171.2	178.2	-177.6	172.5	-168.4	-3.4	111.8	N243 T264 Y265 L266	N243-R268 PolarHBondContact ND2-O 2.81Å; T264-R268 PolarHBondContact O-N 2.83Å; T264-R268 VanDerWaalsContact O-N 3.1Å; Y265-R268 HydrophobicContact CD2-CB 4.44Å; Y265-R268 WeakPolarHBondContact O-CB 3.3Å; Y265-R268 PolarHBondContact O-N 2.88Å; Y265-R268 VanDerWaalsContact O-N 3.12Å; L266-R268 PolarHBondContact O-N 3.45Å
269	V	97.1	Very high	96	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-71.3	-44.1	-177.6	168.3	0	0	0	0	111.5	V245 D249 I250 A253 Y265 L266	V245-V269 HydrophobicContact CG1-CG2 4.43Å; V245-V269 HydrophobicContact CG2-CG1 4.21Å; D249-V269 HydrophobicContact CB-CG2 4.17Å; I250-V269 HydrophobicContact CB-CG1 4.46Å; I250-V269 HydrophobicContact CG1-CG1 3.62Å; A253-V269 HydrophobicContact CB-CB 4.41Å; A253-V269 HydrophobicContact CB-CG2 3.89Å; Y265-V269 HydrophobicContact CD2-CG2 3.85Å; Y265-V269 HydrophobicContact CE2-CG2 3.76Å; Y265-V269 WeakPolarHBondContact O-CG2 3.38Å; Y265-V269 PolarHBondContact O-N 2.87Å; L266-V269 PolarHBondContact O-N 2.89Å
270	I	98	Very high	95.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-94.5	121.4	179	-58.1	171.9	0	0	0	107.8	Y70 I71 G74 I76 L97 I120 L266 R267	Y70-I270 HydrophobicContact CD1-CG2 4.29Å; Y70-I270 HydrophobicContact CE1-CB 4.06Å; Y70-I270 HydrophobicContact CE1-CG2 3.97Å; Y70-I270 WeakPolarHBondContact CE1-O 3.21Å; Y70-I270 VanDerWaalsContact CZ-O 3.26Å; Y70-I270 PolarHBondContact OH-O 2.8Å; I71-I270 HydrophobicContact CB-CD1 4.5Å; I71-I270 HydrophobicContact CG1-CD1 3.85Å; I71-I270 HydrophobicContact CG2-CD1 4.31Å; G74-I270 VanDerWaalsContact CA-CG2 3.45Å; I76-I270 HydrophobicContact CD1-CG1 4.04Å; I76-I270 HydrophobicContact CG1-CG1 4.03Å; L97-I270 HydrophobicContact CD1-CD1 4.08Å; L97-I270 HydrophobicContact CD2-CD1 4.27Å; I120-I270 HydrophobicContact CD1-CD1 4.21Å; I120-I270 HydrophobicContact CD1-CG1 4.42Å; I120-I270 HydrophobicContact CD1-CG2 4.4Å; L266-I270 HydrophobicContact CD2-CD1 4.27Å; L266-I270 WeakPolarHBondContact O-CB 3.42Å; L266-I270 PolarHBondContact O-N 3.37Å; R267-I270 CarbonylContact C-O 3.59Å
271	M	96.8	Very high	95.8	Very high	14 Å²	14	50.2 Å²	50.2	7%	0.069	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	154.5	172.1	-71.2	165.3	-73.9	0	0	110	G74 V75 N77 M238 N243 K275	G74-M271 CarbonylContact C-O 3.52Å; G74-M271 WeakPolarHBondContact CA-O 3.34Å; V75-M271 HydrophobicContact CG2-CB 3.94Å; V75-M271 WeakPolarHBondContact CG2-O 3.38Å; V75-M271 PolarHBondContact N-O 3.14Å; V75-M271 PolarHBondContact O-N 2.83Å; N77-M271 HydrophobicContact CB-CE 4.06Å; M238-M271 HydrophobicContact CE-CE 3.53Å; M238-M271 HydrophobicContact CE-SD 3.88Å; N243-M271 HydrophobicContact CB-CE 4.26Å; N243-M271 HydrophobicContact CB-SD 3.86Å; N243-M271 PolarHBondContact ND2-SD 2.75Å; M271-K275 HydrophobicContact CB-CB 4.32Å; M271-K275 HydrophobicContact CB-CG 4.45Å; M271-K275 HydrophobicContact SD-CD 4.48Å; M271-K275 HydrophobicContact SD-CG 4.08Å
272	P	97.2	Very high	95.9	Very high	4 Å²	4	43 Å²	43	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	144.8	172.3	29.6	-34	0	0	0	110.4	L38 P62 L63 Y70 E274 K275	L38-P272 HydrophobicContact CD1-CB 4.36Å; L38-P272 HydrophobicContact CD1-CG 3.44Å; L38-P272 VanDerWaalsContact CD1-CG 3.44Å; L38-P272 HydrophobicContact CD2-CG 4.22Å; L38-P272 HydrophobicContact CG-CG 4.46Å; P62-P272 HydrophobicContact CB-CB 3.93Å; P62-P272 HydrophobicContact CB-CG 4.28Å; L63-P272 HydrophobicContact CD2-CG 3.98Å; Y70-P272 HydrophobicContact CE2-CB 4.28Å; Y70-P272 HydrophobicContact CE2-CG 4.48Å; Y70-P272 WeakPolarHBondContact OH-CD 3.38Å; P272-E274 WeakPolarHBondContact CB-OE2 3.38Å; P272-E274 PolarHBondContact O-N 2.84Å; P272-K275 WeakPolarHBondContact O-CB 3.26Å; P272-K275 PolarHBondContact O-N 3.4Å
273	L	96.8	Very high	96	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-55.4	-25.1	-179.8	65	84	0	0	0	114	S73 V75 A123 L126 K275 L276 L277 A326 I354	S73-L273 WeakPolarHBondContact O-CB 3.31Å; S73-L273 PolarHBondContact O-N 2.91Å; V75-L273 HydrophobicContact CG1-CB 3.96Å; A123-L273 HydrophobicContact CB-CB 3.89Å; A123-L273 HydrophobicContact CB-CD2 4.15Å; L126-L273 HydrophobicContact CD1-CB 4.05Å; L126-L273 HydrophobicContact CD1-CD1 4.2Å; L273-K275 PolarHBondContact O-N 3.2Å; L273-K275 VanDerWaalsContact O-N 3.12Å; L273-L276 WeakPolarHBondContact O-CB 3.41Å; L273-L276 PolarHBondContact O-N 3.03Å; L273-L277 HydrophobicContact CD1-CD1 4.27Å; L273-A326 HydrophobicContact CD1-CB 3.85Å; L273-I354 HydrophobicContact CD1-CG2 3.69Å; L273-I354 HydrophobicContact CD2-CG2 3.75Å; L273-I354 HydrophobicContact CG-CG2 4.44Å
274	E	97	Very high	96.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-56	-26.7	174.2	-74.9	76.5	-170.7	0	0	112.2	L38 L39 P62 R65 P272 L276 L277 I278 G324 A326	L38-E274 HydrophobicContact CB-CB 4.29Å; L38-E274 HydrophobicContact CD1-CB 4.16Å; L39-E274 HydrophobicContact CD1-CB 4.26Å; L39-E274 HydrophobicContact CD1-CG 3.87Å; L39-E274 HydrophobicContact CG-CB 4.22Å; L39-E274 HydrophobicContact CG-CG 4.3Å; P62-E274 HydrophobicContact CB-CG 4.23Å; P62-E274 HydrophobicContact CG-CB 4.48Å; P62-E274 HydrophobicContact CG-CG 3.8Å; R65-E274 IonicContact CZ-OE1 3.04Å; R65-E274 IonicContact CZ-OE2 3.65Å; R65-E274 IonicContact NH1-OE1 3.53Å; R65-E274 IonicContact NH1-OE2 2.73Å; R65-E274 PolarHBondContact NH1-OE2 3.46Å; R65-E274 IonicContact NH2-OE1 2.87Å; R65-E274 PolarHBondContact NH2-OE1 2.86Å; R65-E274 IonicContact NH2-OE2 3.69Å; P272-E274 WeakPolarHBondContact CB-OE2 3.38Å; P272-E274 PolarHBondContact O-N 2.84Å; E274-L276 PolarHBondContact O-N 3.05Å; E274-L277 PolarHBondContact O-N 3.23Å; E274-I278 WeakPolarHBondContact O-CG1 3.33Å; E274-I278 PolarHBondContact O-N 3.39Å; E274-G324 WeakPolarHBondContact CG-O 3.32Å; E274-A326 HydrophobicContact CG-CB 4Å; E274-A326 PolarHBondContact OE1-N 3.16Å
275	K	95.6	Very high	96.1	Very high	74 Å²	74	33.4 Å²	33.4	32%	0.322	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-56	-35.9	174.8	-174	72.4	-179.4	-175.5	0	112.2	L38 M271 P272 L273 L277 I278	L38-K275 HydrophobicContact CD2-CB 4.1Å; L38-K275 HydrophobicContact CD2-CD 4Å; M271-K275 HydrophobicContact CB-CB 4.32Å; M271-K275 HydrophobicContact CB-CG 4.45Å; M271-K275 HydrophobicContact SD-CD 4.48Å; M271-K275 HydrophobicContact SD-CG 4.08Å; P272-K275 WeakPolarHBondContact O-CB 3.26Å; P272-K275 PolarHBondContact O-N 3.4Å; L273-K275 PolarHBondContact O-N 3.2Å; L273-K275 VanDerWaalsContact O-N 3.12Å; K275-L277 PolarHBondContact O-N 3.09Å; K275-I278 HydrophobicContact CD-CD1 3.82Å
276	L	95.1	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-74	-13.5	178.1	-60.6	-177.4	0	0	0	113.3	V75 I117 L126 Q130 F237 M238 L273 E274	V75-L276 HydrophobicContact CB-CD1 4.28Å; V75-L276 HydrophobicContact CB-CG 4.48Å; V75-L276 HydrophobicContact CG1-CD1 3.66Å; V75-L276 HydrophobicContact CG1-CG 4.19Å; V75-L276 HydrophobicContact CG2-CG 4.19Å; I117-L276 HydrophobicContact CD1-CD2 3.9Å; I117-L276 HydrophobicContact CG2-CD1 4.2Å; I117-L276 HydrophobicContact CG2-CD2 4.2Å; L126-L276 HydrophobicContact CD1-CB 4.47Å; L126-L276 HydrophobicContact CD1-CD1 4.15Å; Q130-L276 HydrophobicContact CG-CD1 3.93Å; F237-L276 WeakPolarHBondContact CD2-O 3.12Å; M238-L276 HydrophobicContact CG-CD2 3.82Å; M238-L276 HydrophobicContact SD-CD2 3.49Å; M238-L276 WeakPolarHBondContact SD-CD2 3.38Å; L273-L276 WeakPolarHBondContact O-CB 3.41Å; L273-L276 PolarHBondContact O-N 3.03Å; E274-L276 PolarHBondContact O-N 3.05Å
277	L	95.5	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-107.8	-4.2	-169.8	-58.2	178.4	0	0	0	113.4	L39 L126 L273 E274 K275 K279 H280 V318 A326 L329 I354	L39-L277 HydrophobicContact CD2-CB 4.15Å; L126-L277 HydrophobicContact CD1-CD1 4.39Å; L126-L277 HydrophobicContact CD1-CD2 4.37Å; L126-L277 HydrophobicContact CD1-CG 4.4Å; L126-L277 HydrophobicContact CD2-CD2 4.21Å; L273-L277 HydrophobicContact CD1-CD1 4.27Å; E274-L277 PolarHBondContact O-N 3.23Å; K275-L277 PolarHBondContact O-N 3.09Å; L277-K279 PolarHBondContact O-N 3.36Å; L277-H280 WeakPolarHBondContact CA-ND1 3.37Å; L277-H280 WeakPolarHBondContact O-CB 3.38Å; L277-H280 PolarHBondContact O-N 3.26Å; L277-H280 PolarHBondContact O-ND1 2.97Å; L277-V318 HydrophobicContact CB-CG2 4.31Å; L277-V318 HydrophobicContact CD1-CG2 3.89Å; L277-A326 HydrophobicContact CD1-CB 3.48Å; L277-A326 VanDerWaalsContact CD1-CB 3.48Å; L277-L329 HydrophobicContact CD2-CD1 4.46Å; L277-L329 HydrophobicContact CD2-CD2 3.9Å; L277-L329 HydrophobicContact CD2-CG 4.4Å; L277-I354 HydrophobicContact CD1-CD1 3.66Å
278	I	93	Very high	95.3	Very high	62 Å²	62	32.9 Å²	32.9	32%	0.318	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.3	-174	-62.2	175.5	0	0	0	113.7	L38 E274 K275	L38-I278 HydrophobicContact CD2-CD1 3.95Å; E274-I278 WeakPolarHBondContact O-CG1 3.33Å; E274-I278 PolarHBondContact O-N 3.39Å; K275-I278 HydrophobicContact CD-CD1 3.82Å
279	K	91.4	Very high	95.1	Very high	141 Å²	141	26 Å²	26	61%	0.613	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.9	-179.5	-59.7	-150	-168.2	-179.7	0	114.6	F237 L277	F237-K279 HydrophobicContact CD1-CB 3.82Å; F237-K279 HydrophobicContact CD1-CD 3.47Å; F237-K279 VanDerWaalsContact CD1-CD 3.47Å; F237-K279 HydrophobicContact CD1-CG 3.65Å; F237-K279 HydrophobicContact CE1-CB 3.59Å; F237-K279 HydrophobicContact CE1-CD 3.78Å; F237-K279 HydrophobicContact CE1-CG 3.94Å; F237-K279 HydrophobicContact CG-CG 4.35Å; F237-K279 HydrophobicContact CZ-CB 4.18Å; L277-K279 PolarHBondContact O-N 3.36Å
280	H	94.8	Very high	95	Very high	26 Å²	26	25.9 Å²	25.9	12%	0.12	13%	0.125	C	C	.	.	S	Bend	trans	-78.4	146.4	176	-61.6	76.8	0	0	0	109.4	F237 L277 V318	F237-H280 AromaticContact CE2-CE1 3.59Å; F237-H280 AromaticContact CZ-CE1 4Å; L277-H280 WeakPolarHBondContact CA-ND1 3.37Å; L277-H280 WeakPolarHBondContact O-CB 3.38Å; L277-H280 PolarHBondContact O-N 3.26Å; L277-H280 PolarHBondContact O-ND1 2.97Å; H280-V318 HydrophobicContact CB-CB 4.09Å; H280-V318 HydrophobicContact CB-CG1 3.94Å
281	K	97	Very high	94.9	Very high	61 Å²	61	26 Å²	26	27%	0.265	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	143.2	167.2	-60.4	176.1	-173.4	167.5	0	109	D308 D310 I311 D315 I317 V318	K281-D308 HydrophobicContact CB-CB 4.33Å; K281-D310 PolarHBondContact NZ-O 2.95Å; K281-I311 HydrophobicContact CB-CG1 4.11Å; K281-I311 HydrophobicContact CD-CG1 3.95Å; K281-D315 IonicContact NZ-OD2 2.77Å; K281-D315 PolarHBondContact NZ-OD2 2.8Å; K281-I317 HydrophobicContact CB-CG2 4.08Å; K281-I317 CarbonylContact O-C 3.52Å; K281-I317 VanDerWaalsContact O-CA 3.26Å; K281-I317 WeakPolarHBondContact O-CA 3.37Å; K281-I317 WeakPolarHBondContact O-CB 3.33Å; K281-V318 PolarHBondContact O-N 2.92Å
282	R	97.8	Very high	94.7	Very high	26 Å²	26	26.4 Å²	26.4	10%	0.098	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.6	-169.4	-62.3	156.4	-62.7	174.6	5.2	111.4	L39 K41 M46 Y307 D308 V318 M320	L39-R282 HydrophobicContact CD2-CG 4.33Å; L39-R282 WeakPolarHBondContact O-CD 3.38Å; L39-R282 PolarHBondContact O-NH1 2.7Å; K41-R282 PolarHBondContact O-NH1 2.93Å; M46-R282 HydrophobicContact CE-CB 4.04Å; R282-Y307 WeakPolarHBondContact O-CA 3.43Å; R282-D308 WeakPolarHBondContact CB-OD2 3.5Å; R282-D308 IonicContact CZ-OD1 2.63Å; R282-D308 IonicContact CZ-OD2 3.05Å; R282-D308 PolarHBondContact N-OD2 2.92Å; R282-D308 IonicContact NE-OD1 3.44Å; R282-D308 PolarHBondContact NE-OD1 3.15Å; R282-D308 IonicContact NE-OD2 2.7Å; R282-D308 PolarHBondContact NE-OD2 3.2Å; R282-D308 IonicContact NH2-OD1 2.76Å; R282-D308 PolarHBondContact NH2-OD1 3.17Å; R282-D308 IonicContact NH2-OD2 3.92Å; R282-D308 PolarHBondContact NH2-OD2 3.33Å; R282-D308 PolarHBondContact O-N 2.75Å; R282-V318 WeakPolarHBondContact CA-O 3.39Å; R282-V318 HydrophobicContact CB-CG1 4.14Å; R282-V318 HydrophobicContact CG-CG1 3.45Å; R282-V318 VanDerWaalsContact CG-CG1 3.45Å; R282-M320 HydrophobicContact CB-SD 3.85Å; R282-M320 HydrophobicContact CG-SD 3.91Å
283	I	98	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.1	161.1	-59.1	-172.9	0	0	0	107.9	L299 V304 R306 I311 I317 V318 L319 M320 I339 V347	I283-L299 HydrophobicContact CD1-CD2 4.41Å; I283-L299 HydrophobicContact CG2-CD2 4Å; I283-V304 HydrophobicContact CG2-CB 4.42Å; I283-V304 HydrophobicContact CG2-CG1 3.83Å; I283-V304 HydrophobicContact CG2-CG2 3.99Å; I283-R306 CarbonylContact C-O 3.58Å; I283-I311 HydrophobicContact CD1-CD1 4.11Å; I283-I311 HydrophobicContact CG1-CD1 3.86Å; I283-I317 HydrophobicContact CD1-CD1 3.36Å; I283-I317 HydrophobicContact CG1-CD1 3.82Å; I283-V318 PolarHBondContact N-O 3.48Å; I283-L319 HydrophobicContact CB-CD2 3.85Å; I283-L319 HydrophobicContact CG2-CD2 4.45Å; I283-L319 WeakPolarHBondContact O-CA 3.47Å; I283-M320 PolarHBondContact O-N 3.37Å; I283-I339 HydrophobicContact CD1-CD1 4.33Å; I283-V347 HydrophobicContact CD1-CG1 3.69Å
284	M	97	Very high	94.6	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.044	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129	174.1	-172.7	176.2	-75.2	0	0	109.5	L40 V43 M46 L305 R306 M320 T322	L40-M284 HydrophobicContact CD2-CE 4.32Å; V43-M284 HydrophobicContact CG1-CE 4.02Å; V43-M284 HydrophobicContact CG2-CE 4.32Å; M46-M284 HydrophobicContact CE-CB 4.41Å; M284-L305 HydrophobicContact CG-CB 4.38Å; M284-L305 HydrophobicContact CG-CD2 4.2Å; M284-L305 PolarHBondContact O-N 3.05Å; M284-L305 HydrophobicContact SD-CD2 3.89Å; M284-R306 HydrophobicContact CB-CB 3.96Å; M284-R306 PolarHBondContact N-O 2.89Å; M284-R306 PolarHBondContact O-N 2.66Å; M284-R306 HydrophobicContact SD-CB 4.47Å; M284-R306 HydrophobicContact SD-CG 4.37Å; M284-M320 CarbonylContact C-O 3.54Å; M284-M320 WeakPolarHBondContact CA-O 3.36Å; M284-M320 HydrophobicContact CB-CG 4.39Å; M284-M320 HydrophobicContact CE-CE 3.96Å; M284-T322 HydrophobicContact CG-CG2 4.48Å; M284-T322 HydrophobicContact SD-CG2 4.26Å
285	L	95.5	Very high	94.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	153.1	-178.7	-58.8	176.2	0	0	0	110.9	V290 I293 L299 G303 L319 M320 V327	L285-V290 HydrophobicContact CB-CG2 4.21Å; L285-V290 HydrophobicContact CD1-CG2 4.34Å; L285-I293 HydrophobicContact CD1-CD1 3.47Å; L285-I293 VanDerWaalsContact CD1-CD1 3.47Å; L285-I293 HydrophobicContact CD2-CD1 3.72Å; L285-I293 HydrophobicContact CG-CD1 4.2Å; L285-L299 HydrophobicContact CD2-CD1 3.39Å; L285-L299 HydrophobicContact CD2-CD2 3.96Å; L285-L299 HydrophobicContact CD2-CG 4.3Å; L285-G303 CarbonylContact C-O 3.6Å; L285-G303 WeakPolarHBondContact CA-O 3.36Å; L285-L319 HydrophobicContact CD1-CB 3.9Å; L285-L319 HydrophobicContact CD2-CB 4.44Å; L285-L319 HydrophobicContact CG-CB 4.23Å; L285-M320 PolarHBondContact N-O 3.34Å; L285-V327 HydrophobicContact CD1-CB 4.07Å; L285-V327 HydrophobicContact CD1-CG1 4.12Å; L285-V327 HydrophobicContact CD1-CG2 3.98Å
286	K	92.6	Very high	94.4	Very high	34 Å²	34	28.3 Å²	28.3	15%	0.148	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-69.8	139.1	157.6	-62.7	-175.8	-173.7	166.2	0	109.3	E50 T288 A289 V290 P302 G303 L305	E50-K286 WeakPolarHBondContact OE1-CE 3.4Å; E50-K286 IonicContact OE1-NZ 3.54Å; E50-K286 PolarHBondContact OE1-NZ 2.82Å; E50-K286 WeakPolarHBondContact OE2-CE 3.42Å; E50-K286 IonicContact OE2-NZ 3.56Å; E50-K286 PolarHBondContact OE2-NZ 2.69Å; K286-T288 PolarHBondContact O-N 2.78Å; K286-T288 VanDerWaalsContact O-N 3.12Å; K286-A289 WeakPolarHBondContact O-CB 3.15Å; K286-A289 PolarHBondContact O-N 3.5Å; K286-V290 PolarHBondContact O-N 3.21Å; K286-P302 WeakPolarHBondContact CD-O 3.13Å; K286-P302 WeakPolarHBondContact CE-O 3.18Å; K286-P302 PolarHBondContact NZ-O 2.96Å; K286-G303 PolarHBondContact N-O 3.3Å; K286-L305 HydrophobicContact CG-CB 4.24Å; K286-L305 HydrophobicContact CG-CD1 4.44Å
287	D	90.4	Very high	94.4	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.032	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-33.4	-179	-66.3	-7.1	0	0	0	111.9	D56 A289 V290 T322 Y360	D56-D287 HydrophobicContact CB-CB 3.94Å; D56-D287 PolarHBondContact N-OD2 2.82Å; D287-A289 PolarHBondContact O-N 3.07Å; D287-V290 WeakPolarHBondContact O-CB 3.42Å; D287-V290 PolarHBondContact O-N 3.41Å; D287-V290 VanDerWaalsContact O-N 3.16Å; D287-T322 PolarHBondContact OD1-OG1 3.38Å; D287-Y360 HydrophobicContact CB-CD1 4.12Å; D287-Y360 HydrophobicContact CB-CE1 3.86Å
288	T	89.4	Confident	94.4	Very high	65 Å²	65	36.2 Å²	36.2	40%	0.399	20%	0.195	S	C	.	.	H	α-helix	trans	-62.2	-24.9	176.6	68	0	0	0	0	114.1	K286 Q363	K286-T288 PolarHBondContact O-N 2.78Å; K286-T288 VanDerWaalsContact O-N 3.12Å; T288-Q363 VanDerWaalsContact CB-OE1 3.3Å
289	A	91.9	Very high	94.6	Very high	18 Å²	18	33.3 Å²	33.3	15%	0.149	18%	0.18	C	C	.	.	H	α-helix	trans	-91.7	-18.2	179.2	0	0	0	0	0	113.2	K286 D287 C291 A292 I293	K286-A289 WeakPolarHBondContact O-CB 3.15Å; K286-A289 PolarHBondContact O-N 3.5Å; D287-A289 PolarHBondContact O-N 3.07Å; A289-C291 PolarHBondContact O-N 3.43Å; A289-A292 PolarHBondContact O-N 3.18Å; A289-I293 HydrophobicContact CB-CD1 4.4Å; A289-I293 WeakPolarHBondContact O-CG1 3.31Å; A289-I293 PolarHBondContact O-N 3.1Å; A289-I293 VanDerWaalsContact O-N 3.16Å
290	V	94.6	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.7	-52.3	-171.9	174.6	0	0	0	0	111.4	L285 K286 D287 A292 I293 C294 T321 V327 M355 Y360	L285-V290 HydrophobicContact CB-CG2 4.21Å; L285-V290 HydrophobicContact CD1-CG2 4.34Å; K286-V290 PolarHBondContact O-N 3.21Å; D287-V290 WeakPolarHBondContact O-CB 3.42Å; D287-V290 PolarHBondContact O-N 3.41Å; D287-V290 VanDerWaalsContact O-N 3.16Å; V290-A292 VanDerWaalsContact C-N 3.34Å; V290-A292 PolarHBondContact O-N 3.41Å; V290-I293 WeakPolarHBondContact O-CB 3.01Å; V290-I293 PolarHBondContact O-N 2.81Å; V290-I293 VanDerWaalsContact O-N 3.12Å; V290-C294 PolarHBondContact O-N 3.06Å; V290-C294 PolarHBondContact O-SG 3.05Å; V290-C294 VanDerWaalsContact O-SG 3.38Å; V290-T321 HydrophobicContact CG1-CG2 4.2Å; V290-T321 HydrophobicContact CG2-CG2 3.86Å; V290-V327 HydrophobicContact CG1-CG1 4.13Å; V290-V327 HydrophobicContact CG1-CG2 3.94Å; V290-V327 HydrophobicContact CG2-CG2 4.43Å; V290-M355 HydrophobicContact CG1-CE 4.46Å; V290-M355 HydrophobicContact CG1-SD 3.42Å; V290-M355 WeakPolarHBondContact CG1-SD 3.49Å; V290-Y360 HydrophobicContact CB-CD1 4.44Å; V290-Y360 HydrophobicContact CB-CD2 4.3Å; V290-Y360 HydrophobicContact CB-CG 4.1Å; V290-Y360 HydrophobicContact CG1-CD2 3.62Å; V290-Y360 HydrophobicContact CG1-CE2 4.09Å; V290-Y360 HydrophobicContact CG1-CG 3.9Å
291	C	94.6	Very high	94.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-43.1	-177.5	-170.6	0	0	0	0	111.8	A289 I293 C294 F295 Y360	A289-C291 PolarHBondContact O-N 3.43Å; C291-I293 VanDerWaalsContact C-N 3.29Å; C291-I293 PolarHBondContact O-N 2.88Å; C291-C294 WeakPolarHBondContact O-CB 3.44Å; C291-C294 PolarHBondContact O-N 2.97Å; C291-C294 VanDerWaalsContact O-N 3.09Å; C291-F295 VanDerWaalsContact O-CD2 3.28Å; C291-F295 WeakPolarHBondContact O-CD2 3.38Å; C291-F295 PolarHBondContact O-N 3.1Å; C291-Y360 WeakPolarHBondContact CB-O 3.43Å; C291-Y360 PolarHBondContact SG-O 3.09Å
292	A	93.9	Very high	94.4	Very high	22 Å²	22	31.3 Å²	31.3	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-41.1	176.9	0	0	0	0	0	112.3	A289 V290 F295 G296 A297	A289-A292 PolarHBondContact O-N 3.18Å; V290-A292 VanDerWaalsContact C-N 3.34Å; V290-A292 PolarHBondContact O-N 3.41Å; A292-F295 PolarHBondContact O-N 3.27Å; A292-F295 VanDerWaalsContact O-N 3.15Å; A292-G296 PolarHBondContact O-N 3.25Å; A292-A297 HydrophobicContact CB-CB 4.06Å; A292-A297 WeakPolarHBondContact O-CB 3.49Å; A292-A297 PolarHBondContact O-N 3.09Å
293	I	96	Very high	94.2	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-38.1	176.4	-71.4	163.9	0	0	0	111.2	L285 A289 V290 C291 F295 G296 L299 L319 V327 A328 L350	L285-I293 HydrophobicContact CD1-CD1 3.47Å; L285-I293 VanDerWaalsContact CD1-CD1 3.47Å; L285-I293 HydrophobicContact CD2-CD1 3.72Å; L285-I293 HydrophobicContact CG-CD1 4.2Å; A289-I293 HydrophobicContact CB-CD1 4.4Å; A289-I293 WeakPolarHBondContact O-CG1 3.31Å; A289-I293 PolarHBondContact O-N 3.1Å; A289-I293 VanDerWaalsContact O-N 3.16Å; V290-I293 WeakPolarHBondContact O-CB 3.01Å; V290-I293 PolarHBondContact O-N 2.81Å; V290-I293 VanDerWaalsContact O-N 3.12Å; C291-I293 VanDerWaalsContact C-N 3.29Å; C291-I293 PolarHBondContact O-N 2.88Å; I293-F295 PolarHBondContact O-N 3.29Å; I293-G296 PolarHBondContact O-N 2.88Å; I293-L299 HydrophobicContact CD1-CD1 3.92Å; I293-L319 HydrophobicContact CD1-CD1 4.38Å; I293-L319 HydrophobicContact CG2-CD1 4.17Å; I293-V327 HydrophobicContact CB-CG1 4.37Å; I293-V327 HydrophobicContact CG2-CG1 3.76Å; I293-A328 HydrophobicContact CG2-CB 4.25Å; I293-L350 HydrophobicContact CG2-CD1 4.11Å; I293-L350 HydrophobicContact CG2-CD2 3.76Å; I293-L350 WeakPolarHBondContact O-CD1 3.47Å
294	C	95.7	Very high	94	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.027	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-27.1	173.4	-64.8	0	0	0	0	113.1	V290 C291 G296 V353 E356 R357	V290-C294 PolarHBondContact O-N 3.06Å; V290-C294 PolarHBondContact O-SG 3.05Å; V290-C294 VanDerWaalsContact O-SG 3.38Å; C291-C294 WeakPolarHBondContact O-CB 3.44Å; C291-C294 PolarHBondContact O-N 2.97Å; C291-C294 VanDerWaalsContact O-N 3.09Å; C294-G296 VanDerWaalsContact C-N 3.3Å; C294-V353 HydrophobicContact CB-CG1 4.36Å; C294-E356 PolarHBondContact SG-O 3.4Å; C294-R357 HydrophobicContact CB-CG 4.37Å
295	F	95.1	Very high	93.9	Very high	68 Å²	68	30.1 Å²	30.1	30%	0.298	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1.1	172.5	-80.1	-82.6	0	0	0	114.2	C291 A292 I293 R357 D358 W364	C291-F295 VanDerWaalsContact O-CD2 3.28Å; C291-F295 WeakPolarHBondContact O-CD2 3.38Å; C291-F295 PolarHBondContact O-N 3.1Å; A292-F295 PolarHBondContact O-N 3.27Å; A292-F295 VanDerWaalsContact O-N 3.15Å; I293-F295 PolarHBondContact O-N 3.29Å; F295-R357 HydrophobicContact CD1-CG 4.44Å; F295-R357 HydrophobicContact CE1-CB 4.37Å; F295-R357 HydrophobicContact CE1-CG 4.22Å; F295-R357 HydrophobicContact CE2-CB 4.02Å; F295-R357 HydrophobicContact CE2-CG 4.29Å; F295-R357 HydrophobicContact CZ-CB 3.83Å; F295-R357 HydrophobicContact CZ-CG 4.12Å; F295-D358 WeakPolarHBondContact CE2-OD1 3.45Å; F295-W364 HydrophobicContact CB-CZ2 4.41Å; F295-W364 HydrophobicContact CD2-CH2 4.16Å; F295-W364 AromaticContact CD2-CZ2 3.67Å; F295-W364 HydrophobicContact CD2-CZ2 3.67Å; F295-W364 HydrophobicContact CE2-CH2 4.37Å; F295-W364 HydrophobicContact CE2-CZ2 4.15Å; F295-W364 HydrophobicContact CG-CH2 4.32Å; F295-W364 HydrophobicContact CG-CZ2 4.04Å
296	G	93.8	Very high	93.9	Very high	46 Å²	46	33.4 Å²	33.4	47%	0.474	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	8.3	177.2	0	0	0	0	0	114.4	A292 I293 C294	A292-G296 PolarHBondContact O-N 3.25Å; I293-G296 PolarHBondContact O-N 2.88Å; C294-G296 VanDerWaalsContact C-N 3.3Å
297	A	94	Very high	94.1	Very high	42 Å²	42	32.3 Å²	32.3	35%	0.347	19%	0.187	S	C	.	.			trans	-63.4	140.6	174.8	0	0	0	0	0	110.7	A292 L350	A292-A297 HydrophobicContact CB-CB 4.06Å; A292-A297 WeakPolarHBondContact O-CB 3.49Å; A292-A297 PolarHBondContact O-N 3.09Å; A297-L350 WeakPolarHBondContact O-CD1 3.33Å
298	K	95.9	Very high	94.4	Very high	124 Å²	124	33 Å²	33	54%	0.539	19%	0.191	S	C	.	.			trans	-70.6	151.8	173.8	-47.3	179.6	-179	171.4	0	110	M300 L346	K298-M300 PolarHBondContact O-N 3.2Å; K298-L346 HydrophobicContact CB-CD1 3.3Å; K298-L346 HydrophobicContact CD-CD1 3.78Å; K298-L346 HydrophobicContact CD-CD2 3.74Å; K298-L346 HydrophobicContact CD-CG 4.45Å; K298-L346 HydrophobicContact CG-CD1 4.19Å
299	L	96.8	Very high	94.7	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	110.9	179.7	175.7	60.8	0	0	0	110.2	I283 L285 I293 V304 L319 L346 V347 A348	I283-L299 HydrophobicContact CD1-CD2 4.41Å; I283-L299 HydrophobicContact CG2-CD2 4Å; L285-L299 HydrophobicContact CD2-CD1 3.39Å; L285-L299 HydrophobicContact CD2-CD2 3.96Å; L285-L299 HydrophobicContact CD2-CG 4.3Å; I293-L299 HydrophobicContact CD1-CD1 3.92Å; L299-V304 HydrophobicContact CD1-CG2 4.14Å; L299-V304 HydrophobicContact CD2-CG2 4.03Å; L299-V304 HydrophobicContact CG-CG2 4.16Å; L299-L319 HydrophobicContact CB-CD1 4.37Å; L299-L319 HydrophobicContact CD2-CD1 4.22Å; L299-L319 HydrophobicContact CD2-CD2 3.65Å; L299-L346 WeakPolarHBondContact O-CD1 3.47Å; L299-V347 HydrophobicContact CD2-CB 4.15Å; L299-V347 HydrophobicContact CD2-CG1 4.05Å; L299-V347 HydrophobicContact CG-CB 4.07Å; L299-V347 PolarHBondContact O-N 2.91Å; L299-A348 HydrophobicContact CB-CB 4.14Å; L299-A348 HydrophobicContact CD2-CB 4.2Å; L299-A348 PolarHBondContact N-O 2.74Å; L299-A348 PolarHBondContact O-N 3.42Å
300	M	95.1	Very high	94.9	Very high	99 Å²	99	38.5 Å²	38.5	49%	0.488	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	152.6	172.1	-58.3	-60.4	-68.4	0	0	110.3	K298 P302 G303 L346	K298-M300 PolarHBondContact O-N 3.2Å; M300-P302 VanDerWaalsContact C-CD 3.43Å; M300-P302 VanDerWaalsContact C-N 3.34Å; M300-G303 PolarHBondContact O-N 2.76Å; M300-L346 HydrophobicContact SD-CB 4.3Å; M300-L346 HydrophobicContact SD-CD1 3.88Å
301	L	93.5	Very high	95	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-52.4	-40.7	-177.3	-165.1	69.4	0	0	0	114.9	G303 V304 I339 C342 G345 V347	L301-G303 PolarHBondContact O-N 3.44Å; L301-V304 WeakPolarHBondContact O-CB 3.28Å; L301-V304 PolarHBondContact O-N 2.77Å; L301-I339 HydrophobicContact CD1-CG2 3.91Å; L301-C342 HydrophobicContact CD2-CB 4.42Å; L301-C342 WeakPolarHBondContact CD2-O 3.36Å; L301-G345 PolarHBondContact N-O 2.97Å; L301-V347 HydrophobicContact CB-CG2 4Å; L301-V347 HydrophobicContact CD1-CG2 3.53Å; L301-V347 HydrophobicContact CG-CG2 4.39Å
302	P	91.2	Very high	95.2	Very high	82 Å²	82	42.6 Å²	42.6	53%	0.532	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-62.3	-15.7	177.7	-25	36.1	0	0	0	114.9	K286 M300	K286-P302 WeakPolarHBondContact CD-O 3.13Å; K286-P302 WeakPolarHBondContact CE-O 3.18Å; K286-P302 PolarHBondContact NZ-O 2.96Å; M300-P302 VanDerWaalsContact C-CD 3.43Å; M300-P302 VanDerWaalsContact C-N 3.34Å
303	G	92.6	Very high	95.4	Very high	9 Å²	9	44.8 Å²	44.8	9%	0.093	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-86.3	-6.6	175.6	0	0	0	0	0	114.1	L285 K286 M300 L301	L285-G303 CarbonylContact C-O 3.6Å; L285-G303 WeakPolarHBondContact CA-O 3.36Å; K286-G303 PolarHBondContact N-O 3.3Å; M300-G303 PolarHBondContact O-N 2.76Å; L301-G303 PolarHBondContact O-N 3.44Å
304	V	95.3	Very high	95.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128	-179.2	178.7	0	0	0	0	110.2	R49 I283 L299 L301 Y307 I339 V347	R49-V304 HydrophobicContact CB-CG1 4.44Å; I283-V304 HydrophobicContact CG2-CB 4.42Å; I283-V304 HydrophobicContact CG2-CG1 3.83Å; I283-V304 HydrophobicContact CG2-CG2 3.99Å; L299-V304 HydrophobicContact CD1-CG2 4.14Å; L299-V304 HydrophobicContact CD2-CG2 4.03Å; L299-V304 HydrophobicContact CG-CG2 4.16Å; L301-V304 WeakPolarHBondContact O-CB 3.28Å; L301-V304 PolarHBondContact O-N 2.77Å; V304-Y307 HydrophobicContact CG1-CD1 3.99Å; V304-I339 HydrophobicContact CG1-CG2 4.49Å; V304-V347 HydrophobicContact CG2-CB 4.38Å; V304-V347 HydrophobicContact CG2-CG1 4.22Å; V304-V347 HydrophobicContact CG2-CG2 3.96Å
305	L	93.9	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-53.6	174.9	-174.1	67	0	0	0	111.1	R49 E50 F53 M284 K286 T322	R49-L305 WeakPolarHBondContact CB-O 3.42Å; R49-L305 PolarHBondContact N-O 2.7Å; E50-L305 HydrophobicContact CB-CD1 4.22Å; E50-L305 PolarHBondContact N-O 3.06Å; E50-L305 VanDerWaalsContact O-CD1 3.29Å; E50-L305 WeakPolarHBondContact O-CD1 3.49Å; F53-L305 HydrophobicContact CB-CD1 3.95Å; F53-L305 HydrophobicContact CD1-CD1 3.62Å; F53-L305 HydrophobicContact CD1-CD2 3.75Å; F53-L305 HydrophobicContact CD1-CG 4.27Å; F53-L305 HydrophobicContact CD2-CD2 4.15Å; F53-L305 HydrophobicContact CE1-CD1 4.36Å; F53-L305 HydrophobicContact CE1-CD2 3.82Å; F53-L305 HydrophobicContact CE2-CD2 4.22Å; F53-L305 HydrophobicContact CG-CD1 3.91Å; F53-L305 HydrophobicContact CG-CD2 3.91Å; F53-L305 HydrophobicContact CZ-CD2 4.05Å; M284-L305 HydrophobicContact CG-CB 4.38Å; M284-L305 HydrophobicContact CG-CD2 4.2Å; M284-L305 PolarHBondContact O-N 3.05Å; M284-L305 HydrophobicContact SD-CD2 3.89Å; K286-L305 HydrophobicContact CG-CB 4.24Å; K286-L305 HydrophobicContact CG-CD1 4.44Å; L305-T322 HydrophobicContact CD2-CG2 3.65Å
306	R	95.7	Very high	95.6	Very high	70 Å²	70	53 Å²	53	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	158.5	176.8	-59	-170.9	174.5	-162.3	-1.7	111.1	V43 M46 N47 I283 M284	V43-R306 PolarHBondContact O-NH1 3.19Å; M46-R306 HydrophobicContact CB-CB 4.17Å; M46-R306 HydrophobicContact CE-CB 4.04Å; M46-R306 HydrophobicContact SD-CB 4.48Å; N47-R306 WeakPolarHBondContact O-CA 3.47Å; N47-R306 WeakPolarHBondContact O-CB 3.46Å; I283-R306 CarbonylContact C-O 3.58Å; M284-R306 HydrophobicContact CB-CB 3.96Å; M284-R306 PolarHBondContact N-O 2.89Å; M284-R306 PolarHBondContact O-N 2.66Å; M284-R306 HydrophobicContact SD-CB 4.47Å; M284-R306 HydrophobicContact SD-CG 4.37Å
307	Y	97.2	Very high	95.8	Very high	10 Å²	10	50.9 Å²	50.9	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	149.4	178.3	55.3	-78.3	0	0	0	111.3	N47 R49 R282 V304 T336 I339 A340	N47-Y307 HydrophobicContact CB-CD1 4.21Å; N47-Y307 HydrophobicContact CB-CD2 4.05Å; N47-Y307 HydrophobicContact CB-CE1 3.79Å; N47-Y307 HydrophobicContact CB-CE2 3.66Å; N47-Y307 HydrophobicContact CB-CG 4.31Å; N47-Y307 VanDerWaalsContact CB-CZ 3.49Å; N47-Y307 PolarHBondContact N-O 3.23Å; N47-Y307 WeakPolarHBondContact ND2-CE2 3.28Å; N47-Y307 PolarHBondContact O-N 3.42Å; N47-Y307 VanDerWaalsContact O-N 3.09Å; R49-Y307 HydrophobicContact CB-CD1 4.48Å; R49-Y307 HydrophobicContact CB-CE1 4.06Å; R282-Y307 WeakPolarHBondContact O-CA 3.43Å; V304-Y307 HydrophobicContact CG1-CD1 3.99Å; Y307-T336 HydrophobicContact CD2-CG2 4.13Å; Y307-T336 HydrophobicContact CE2-CG2 3.68Å; Y307-I339 HydrophobicContact CD1-CG2 3.7Å; Y307-I339 HydrophobicContact CD2-CB 4.45Å; Y307-I339 HydrophobicContact CD2-CD1 4.35Å; Y307-I339 HydrophobicContact CD2-CG2 4.12Å; Y307-I339 HydrophobicContact CE1-CG2 3.57Å; Y307-I339 HydrophobicContact CE2-CB 4.12Å; Y307-I339 HydrophobicContact CE2-CG2 3.95Å; Y307-I339 HydrophobicContact CG-CG2 4Å; Y307-A340 WeakPolarHBondContact OH-CA 3.41Å; Y307-A340 WeakPolarHBondContact OH-CB 3.25Å
308	D	97.3	Very high	95.9	Very high	21 Å²	21	48.9 Å²	48.9	11%	0.112	25%	0.253	C	S	.	.			trans	-68.4	160.6	173.8	-82.3	-29.1	0	0	0	111.7	M46 K281 R282 I311	M46-D308 WeakPolarHBondContact CG-OD1 3.4Å; K281-D308 HydrophobicContact CB-CB 4.33Å; R282-D308 WeakPolarHBondContact CB-OD2 3.5Å; R282-D308 IonicContact CZ-OD1 2.63Å; R282-D308 IonicContact CZ-OD2 3.05Å; R282-D308 PolarHBondContact N-OD2 2.92Å; R282-D308 IonicContact NE-OD1 3.44Å; R282-D308 PolarHBondContact NE-OD1 3.15Å; R282-D308 IonicContact NE-OD2 2.7Å; R282-D308 PolarHBondContact NE-OD2 3.2Å; R282-D308 IonicContact NH2-OD1 2.76Å; R282-D308 PolarHBondContact NH2-OD1 3.17Å; R282-D308 IonicContact NH2-OD2 3.92Å; R282-D308 PolarHBondContact NH2-OD2 3.33Å; R282-D308 PolarHBondContact O-N 2.75Å; D308-I311 WeakPolarHBondContact O-CD1 3.2Å
309	N	95.2	Very high	96.1	Very high	76 Å²	76	43 Å²	43	41%	0.406	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	166.6	170.2	-75.1	-54.1	0	0	0	112.3	N47 I311	N47-N309 PolarHBondContact ND2-OD1 3.36Å; N47-N309 PolarHBondContact OD1-OD1 3.09Å; N309-I311 PolarHBondContact O-N 3.32Å
310	D	95.6	Very high	96.1	Very high	122 Å²	122	42.9 Å²	42.9	65%	0.652	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	17.1	173.7	-55.9	-37.7	0	0	0	115.8	K281 N312 T336	K281-D310 PolarHBondContact NZ-O 2.95Å; D310-N312 PolarHBondContact O-N 2.99Å; D310-N312 PolarHBondContact O-ND2 3.12Å; D310-T336 PolarHBondContact N-OG1 3.25Å
311	I	97.6	Very high	96.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.			trans	-61.9	122.3	171	-60.2	173.5	0	0	0	109	K281 I283 D308 N309 I317 A332 T335 T336	K281-I311 HydrophobicContact CB-CG1 4.11Å; K281-I311 HydrophobicContact CD-CG1 3.95Å; I283-I311 HydrophobicContact CD1-CD1 4.11Å; I283-I311 HydrophobicContact CG1-CD1 3.86Å; D308-I311 WeakPolarHBondContact O-CD1 3.2Å; N309-I311 PolarHBondContact O-N 3.32Å; I311-I317 HydrophobicContact CG2-CG2 4.29Å; I311-A332 HydrophobicContact CG2-CB 3.61Å; I311-T335 CarbonylContact O-C 3.58Å; I311-T335 WeakPolarHBondContact O-CA 3.22Å; I311-T336 PolarHBondContact N-OG1 3.06Å; I311-T336 PolarHBondContact O-N 3.46Å; I311-T336 PolarHBondContact O-OG1 2.89Å
312	N	98	Very high	96	Very high	88 Å²	88	39.1 Å²	39.1	47%	0.471	21%	0.21	S	C	.	.			trans	-109	161.4	174.8	-64.2	-50.2	0	0	0	111.1	D310 N314 D315 A332	D310-N312 PolarHBondContact O-N 2.99Å; D310-N312 PolarHBondContact O-ND2 3.12Å; N312-N314 PolarHBondContact O-N 3.16Å; N312-D315 PolarHBondContact N-OD2 2.81Å; N312-D315 WeakPolarHBondContact O-CB 3.41Å; N312-D315 PolarHBondContact O-N 2.93Å; N312-A332 WeakPolarHBondContact O-CB 3.36Å
313	V	97.5	Very high	96.1	Very high	69 Å²	69	37.4 Å²	37.4	42%	0.418	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	138.6	173.4	-175.3	0	0	0	0	109.4	D315 T335	V313-D315 PolarHBondContact O-N 3.03Å; V313-T335 HydrophobicContact CG2-CG2 3.75Å
314	N	97.6	Very high	96.1	Very high	118 Å²	118	37 Å²	37	63%	0.631	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	2.6	-175.4	-56.3	-46.1	0	0	0	116.3	N312 V331 A332	N312-N314 PolarHBondContact O-N 3.16Å; N314-V331 HydrophobicContact CB-CG1 4.39Å; N314-A332 PolarHBondContact N-O 3.4Å
315	D	97.5	Very high	96.2	Very high	42 Å²	42	37.2 Å²	37.2	23%	0.225	19%	0.192	C	C	.	.			trans	-63.7	141.2	171.5	-78.3	-7.8	0	0	0	111.2	K281 N312 V313 I317 V331 A332	K281-D315 IonicContact NZ-OD2 2.77Å; K281-D315 PolarHBondContact NZ-OD2 2.8Å; N312-D315 PolarHBondContact N-OD2 2.81Å; N312-D315 WeakPolarHBondContact O-CB 3.41Å; N312-D315 PolarHBondContact O-N 2.93Å; V313-D315 PolarHBondContact O-N 3.03Å; D315-I317 HydrophobicContact CB-CG2 4.29Å; D315-V331 WeakPolarHBondContact O-CA 3.46Å; D315-A332 HydrophobicContact CB-CB 4.49Å; D315-A332 PolarHBondContact O-N 3.06Å
316	E	95.9	Very high	96.3	Very high	89 Å²	89	37.4 Å²	37.4	42%	0.416	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.1	168.3	-68.2	-169.1	-160.5	0	0	110.3	K351	E316-K351 IonicContact OE1-NZ 2.68Å; E316-K351 PolarHBondContact OE1-NZ 3.37Å; E316-K351 IonicContact OE2-NZ 2.97Å; E316-K351 PolarHBondContact OE2-NZ 3.2Å
317	I	97.5	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	156.9	-175.9	63.2	166.4	0	0	0	110.8	K281 I283 I311 D315 L319 A330 A332 A348	K281-I317 HydrophobicContact CB-CG2 4.08Å; K281-I317 CarbonylContact O-C 3.52Å; K281-I317 VanDerWaalsContact O-CA 3.26Å; K281-I317 WeakPolarHBondContact O-CA 3.37Å; K281-I317 WeakPolarHBondContact O-CB 3.33Å; I283-I317 HydrophobicContact CD1-CD1 3.36Å; I283-I317 HydrophobicContact CG1-CD1 3.82Å; I311-I317 HydrophobicContact CG2-CG2 4.29Å; D315-I317 HydrophobicContact CB-CG2 4.29Å; I317-L319 HydrophobicContact CD1-CD2 3.97Å; I317-L319 HydrophobicContact CG1-CD2 4.48Å; I317-A330 HydrophobicContact CD1-CB 4.43Å; I317-A330 HydrophobicContact CG1-CB 4.02Å; I317-A330 WeakPolarHBondContact CG1-O 3.16Å; I317-A330 PolarHBondContact N-O 3.2Å; I317-A330 PolarHBondContact O-N 2.8Å; I317-A332 HydrophobicContact CD1-CB 4.26Å; I317-A332 HydrophobicContact CG2-CB 4.24Å; I317-A348 HydrophobicContact CD1-CB 3.89Å
318	V	98	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.3	171.2	64.5	0	0	0	0	109.9	L39 L277 H280 K281 R282 I283 A326 L329	L39-V318 HydrophobicContact CD1-CG2 4.18Å; L39-V318 HydrophobicContact CD2-CG1 4.12Å; L277-V318 HydrophobicContact CB-CG2 4.31Å; L277-V318 HydrophobicContact CD1-CG2 3.89Å; H280-V318 HydrophobicContact CB-CB 4.09Å; H280-V318 HydrophobicContact CB-CG1 3.94Å; K281-V318 PolarHBondContact O-N 2.92Å; R282-V318 WeakPolarHBondContact CA-O 3.39Å; R282-V318 HydrophobicContact CB-CG1 4.14Å; R282-V318 HydrophobicContact CG-CG1 3.45Å; R282-V318 VanDerWaalsContact CG-CG1 3.45Å; I283-V318 PolarHBondContact N-O 3.48Å; V318-A326 HydrophobicContact CG2-CB 4.2Å; V318-L329 HydrophobicContact CB-CD2 4.45Å
319	L	98.4	Very high	96.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.4	170	-53.7	-172.8	0	0	0	108.5	I283 L285 I293 L299 I317 V327 A328 A330 L350	I283-L319 HydrophobicContact CB-CD2 3.85Å; I283-L319 HydrophobicContact CG2-CD2 4.45Å; I283-L319 WeakPolarHBondContact O-CA 3.47Å; L285-L319 HydrophobicContact CD1-CB 3.9Å; L285-L319 HydrophobicContact CD2-CB 4.44Å; L285-L319 HydrophobicContact CG-CB 4.23Å; I293-L319 HydrophobicContact CD1-CD1 4.38Å; I293-L319 HydrophobicContact CG2-CD1 4.17Å; L299-L319 HydrophobicContact CB-CD1 4.37Å; L299-L319 HydrophobicContact CD2-CD1 4.22Å; L299-L319 HydrophobicContact CD2-CD2 3.65Å; I317-L319 HydrophobicContact CD1-CD2 3.97Å; I317-L319 HydrophobicContact CG1-CD2 4.48Å; L319-V327 HydrophobicContact CB-CB 4.44Å; L319-V327 PolarHBondContact O-N 3.24Å; L319-A328 HydrophobicContact CD1-CB 4.43Å; L319-A328 PolarHBondContact N-O 2.9Å; L319-A328 PolarHBondContact O-N 2.76Å; L319-A330 HydrophobicContact CD1-CB 3.99Å; L319-A330 HydrophobicContact CD2-CB 4.26Å; L319-A330 HydrophobicContact CG-CB 3.94Å; L319-L350 HydrophobicContact CD1-CD2 3.74Å
320	M	96.7	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.6	-175.5	62.8	-179.3	-78.6	0	0	113.1	L39 L40 R282 I283 M284 L285 E325	L39-M320 HydrophobicContact CB-CE 3.76Å; L39-M320 HydrophobicContact CB-SD 3.75Å; L39-M320 HydrophobicContact CD1-CB 4.15Å; L39-M320 HydrophobicContact CD1-SD 4.45Å; L40-M320 HydrophobicContact CD2-CE 3.75Å; L40-M320 HydrophobicContact CG-CE 4.45Å; R282-M320 HydrophobicContact CB-SD 3.85Å; R282-M320 HydrophobicContact CG-SD 3.91Å; I283-M320 PolarHBondContact O-N 3.37Å; M284-M320 CarbonylContact C-O 3.54Å; M284-M320 WeakPolarHBondContact CA-O 3.36Å; M284-M320 HydrophobicContact CB-CG 4.39Å; M284-M320 HydrophobicContact CE-CE 3.96Å; L285-M320 PolarHBondContact N-O 3.34Å; M320-E325 CarbonylContact C-O 3.52Å; M320-E325 WeakPolarHBondContact CA-O 3.42Å; M320-E325 WeakPolarHBondContact CB-O 3.28Å
321	T	95.7	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.			trans	-80.1	171.9	172.3	68.9	0	0	0	0	111.3	V290 K323 G324 E325 V327 M355 Y360	V290-T321 HydrophobicContact CG1-CG2 4.2Å; V290-T321 HydrophobicContact CG2-CG2 3.86Å; T321-K323 PolarHBondContact O-N 3.5Å; T321-K323 PolarHBondContact OG1-N 2.68Å; T321-G324 PolarHBondContact O-N 3.16Å; T321-G324 VanDerWaalsContact O-N 3.16Å; T321-E325 HydrophobicContact CG2-CB 4.19Å; T321-E325 PolarHBondContact N-O 3.22Å; T321-E325 WeakPolarHBondContact OG1-CB 3.43Å; T321-E325 PolarHBondContact OG1-N 2.99Å; T321-E325 PolarHBondContact OG1-OE2 2.82Å; T321-V327 HydrophobicContact CG2-CG2 3.5Å; T321-M355 HydrophobicContact CG2-CE 3.8Å; T321-Y360 HydrophobicContact CG2-CE2 4.02Å
322	T	91.8	Very high	96.7	Very high	26 Å²	26	25 Å²	25	16%	0.16	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.5	172.5	55.7	0	0	0	0	112.8	F53 M284 D287 L305	F53-T322 HydrophobicContact CD2-CG2 4.06Å; F53-T322 HydrophobicContact CE2-CG2 3.53Å; F53-T322 HydrophobicContact CZ-CG2 4.07Å; M284-T322 HydrophobicContact CG-CG2 4.48Å; M284-T322 HydrophobicContact SD-CG2 4.26Å; D287-T322 PolarHBondContact OD1-OG1 3.38Å; L305-T322 HydrophobicContact CD2-CG2 3.65Å
323	K	92.4	Very high	96.7	Very high	46 Å²	46	24 Å²	24	20%	0.2	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-4	179.6	-62.1	177.5	179.2	176.9	0	114.2	L40 D56 T57 T58 G59 P62 T321 E325	L40-K323 WeakPolarHBondContact CD1-O 3.39Å; D56-K323 WeakPolarHBondContact O-CE 3.26Å; D56-K323 PolarHBondContact O-NZ 2.94Å; T57-K323 VanDerWaalsContact C-NZ 3.32Å; T57-K323 PolarHBondContact O-NZ 3.27Å; T58-K323 VanDerWaalsContact C-NZ 3.29Å; T58-K323 PolarHBondContact O-NZ 3.43Å; G59-K323 PolarHBondContact O-NZ 3.03Å; P62-K323 WeakPolarHBondContact CD-O 3.33Å; T321-K323 PolarHBondContact O-N 3.5Å; T321-K323 PolarHBondContact OG1-N 2.68Å; K323-E325 HydrophobicContact CB-CG 4.46Å
324	G	93.8	Very high	96.7	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	11%	0.112	C	C	.	.	S	Bend	trans	92.4	7.7	-178.7	0	0	0	0	0	115.4	P62 E274 T321	P62-G324 WeakPolarHBondContact CG-O 3.39Å; E274-G324 WeakPolarHBondContact CG-O 3.32Å; T321-G324 PolarHBondContact O-N 3.16Å; T321-G324 VanDerWaalsContact O-N 3.16Å
325	E	96.1	Very high	96.6	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.019	9%	0.094	C	C	.	.			trans	-79.8	136.2	-178.5	-58.1	170.9	107	0	0	110.6	Y60 P62 M320 T321 K323 V327 M355 Y360	Y60-E325 PolarHBondContact N-OE1 2.91Å; Y60-E325 WeakPolarHBondContact O-CG 3.29Å; P62-E325 HydrophobicContact CG-CG 4.46Å; M320-E325 CarbonylContact C-O 3.52Å; M320-E325 WeakPolarHBondContact CA-O 3.42Å; M320-E325 WeakPolarHBondContact CB-O 3.28Å; T321-E325 HydrophobicContact CG2-CB 4.19Å; T321-E325 PolarHBondContact N-O 3.22Å; T321-E325 WeakPolarHBondContact OG1-CB 3.43Å; T321-E325 PolarHBondContact OG1-N 2.99Å; T321-E325 PolarHBondContact OG1-OE2 2.82Å; K323-E325 HydrophobicContact CB-CG 4.46Å; E325-V327 PolarHBondContact O-N 2.82Å; E325-M355 HydrophobicContact CB-CE 3.67Å; E325-Y360 PolarHBondContact OE2-OH 3.28Å; E325-Y360 VanDerWaalsContact OE2-OH 3.09Å
326	A	97.4	Very high	96.6	Very high	3 Å²	3	16.9 Å²	16.9	3%	0.025	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	116.7	175.3	0	0	0	0	0	111	L39 L273 E274 L277 V318 I354	L39-A326 HydrophobicContact CD1-CB 4.07Å; L273-A326 HydrophobicContact CD1-CB 3.85Å; E274-A326 HydrophobicContact CG-CB 4Å; E274-A326 PolarHBondContact OE1-N 3.16Å; L277-A326 HydrophobicContact CD1-CB 3.48Å; L277-A326 VanDerWaalsContact CD1-CB 3.48Å; V318-A326 HydrophobicContact CG2-CB 4.2Å; A326-I354 HydrophobicContact CB-CD1 4.07Å
327	V	97.3	Very high	96.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-51.8	179	-177.9	0	0	0	0	110.5	L285 V290 I293 L319 T321 E325 I354 M355	L285-V327 HydrophobicContact CD1-CB 4.07Å; L285-V327 HydrophobicContact CD1-CG1 4.12Å; L285-V327 HydrophobicContact CD1-CG2 3.98Å; V290-V327 HydrophobicContact CG1-CG1 4.13Å; V290-V327 HydrophobicContact CG1-CG2 3.94Å; V290-V327 HydrophobicContact CG2-CG2 4.43Å; I293-V327 HydrophobicContact CB-CG1 4.37Å; I293-V327 HydrophobicContact CG2-CG1 3.76Å; L319-V327 HydrophobicContact CB-CB 4.44Å; L319-V327 PolarHBondContact O-N 3.24Å; T321-V327 HydrophobicContact CG2-CG2 3.5Å; E325-V327 PolarHBondContact O-N 2.82Å; V327-I354 PolarHBondContact O-N 3.04Å; V327-M355 HydrophobicContact CG1-CB 4.41Å; V327-M355 HydrophobicContact CG1-SD 4.5Å; V327-M355 HydrophobicContact CG2-CE 3.87Å; V327-M355 HydrophobicContact CG2-SD 4.1Å; V327-M355 PolarHBondContact O-N 3.23Å
328	A	97.6	Very high	96.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	155.2	-176.3	0	0	0	0	0	112.4	I293 L319 L350 R352	I293-A328 HydrophobicContact CG2-CB 4.25Å; L319-A328 HydrophobicContact CD1-CB 4.43Å; L319-A328 PolarHBondContact N-O 2.9Å; L319-A328 PolarHBondContact O-N 2.76Å; A328-L350 HydrophobicContact CB-CD2 3.99Å; A328-R352 CarbonylContact C-O 3.42Å; A328-R352 VanDerWaalsContact CA-O 3.3Å; A328-R352 WeakPolarHBondContact CA-O 3.31Å; A328-R352 WeakPolarHBondContact CB-O 3.46Å
329	L	97.2	Very high	96.4	Very high	3 Å²	3	18 Å²	18	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.5	157.6	-74.1	174.2	0	0	0	109.3	L126 L277 V318 K351 R352 I354	L126-L329 HydrophobicContact CD2-CD1 3.87Å; L126-L329 HydrophobicContact CD2-CG 4.47Å; L277-L329 HydrophobicContact CD2-CD1 4.46Å; L277-L329 HydrophobicContact CD2-CD2 3.9Å; L277-L329 HydrophobicContact CD2-CG 4.4Å; V318-L329 HydrophobicContact CB-CD2 4.45Å; L329-K351 WeakPolarHBondContact O-CA 3.44Å; L329-K351 WeakPolarHBondContact O-CB 2.94Å; L329-K351 PolarHBondContact O-N 2.85Å; L329-R352 HydrophobicContact CB-CB 4.46Å; L329-R352 PolarHBondContact N-O 3.47Å; L329-R352 PolarHBondContact O-N 3.34Å; L329-I354 HydrophobicContact CG-CD1 4.33Å
330	A	97.7	Very high	96.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	164.9	-179.5	0	0	0	0	0	111	I317 L319 A348 K349 L350	I317-A330 HydrophobicContact CD1-CB 4.43Å; I317-A330 HydrophobicContact CG1-CB 4.02Å; I317-A330 WeakPolarHBondContact CG1-O 3.16Å; I317-A330 PolarHBondContact N-O 3.2Å; I317-A330 PolarHBondContact O-N 2.8Å; L319-A330 HydrophobicContact CD1-CB 3.99Å; L319-A330 HydrophobicContact CD2-CB 4.26Å; L319-A330 HydrophobicContact CG-CB 3.94Å; A330-A348 HydrophobicContact CB-CB 3.91Å; A330-K349 CarbonylContact C-O 3.58Å; A330-K349 VanDerWaalsContact CA-O 3.3Å; A330-K349 WeakPolarHBondContact CA-O 3.47Å; A330-K349 WeakPolarHBondContact CB-O 3.37Å; A330-L350 HydrophobicContact CB-CD2 4.29Å
331	V	98	Very high	96	Very high	36 Å²	36	25.4 Å²	25.4	22%	0.218	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.4	172.5	178.4	0	0	0	0	107.3	N314 D315 A348 K349 K351	N314-V331 HydrophobicContact CB-CG1 4.39Å; D315-V331 WeakPolarHBondContact O-CA 3.46Å; V331-A348 CarbonylContact O-C 3.6Å; V331-A348 VanDerWaalsContact O-CA 3.28Å; V331-A348 WeakPolarHBondContact O-CA 3.46Å; V331-A348 WeakPolarHBondContact O-CB 3.2Å; V331-K349 PolarHBondContact N-O 3.26Å; V331-K349 PolarHBondContact O-N 3.27Å; V331-K351 HydrophobicContact CG2-CB 4.31Å; V331-K351 HydrophobicContact CG2-CD 4.4Å
332	A	98.3	Very high	95.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136.2	179.2	0	0	0	0	0	110.8	I311 N312 N314 D315 I317	I311-A332 HydrophobicContact CG2-CB 3.61Å; N312-A332 WeakPolarHBondContact O-CB 3.36Å; N314-A332 PolarHBondContact N-O 3.4Å; D315-A332 HydrophobicContact CB-CB 4.49Å; D315-A332 PolarHBondContact O-N 3.06Å; I317-A332 HydrophobicContact CD1-CB 4.26Å; I317-A332 HydrophobicContact CG2-CB 4.24Å
333	L	98	Very high	95.8	Very high	65 Å²	65	33 Å²	33	34%	0.34	20%	0.203	S	C	.	.	S	Bend	trans	-112	-8.4	174.5	-64.5	177.7	0	0	0	111.9	L346 V347 K349	L333-L346 HydrophobicContact CD1-CD2 3.37Å; L333-L346 HydrophobicContact CD1-CG 3.67Å; L333-V347 PolarHBondContact N-O 3.25Å; L333-K349 HydrophobicContact CD1-CB 3.95Å; L333-K349 HydrophobicContact CG-CB 4.43Å
334	M	97	Very high	95.7	Very high	19 Å²	19	38.5 Å²	38.5	9%	0.094	23%	0.229	C	C	.	.	S	Bend	trans	-126.2	144.5	178.4	-71.7	-177.2	79.5	0	0	109.3	T338 I339 C342 L346 V347	M334-T338 WeakPolarHBondContact CB-OG1 3.19Å; M334-T338 VanDerWaalsContact CE-O 3.31Å; M334-T338 WeakPolarHBondContact CE-O 3.33Å; M334-I339 HydrophobicContact CB-CD1 4.4Å; M334-I339 HydrophobicContact CB-CG1 3.77Å; M334-C342 HydrophobicContact CE-CB 3.8Å; M334-L346 WeakPolarHBondContact CG-O 3.27Å; M334-V347 PolarHBondContact N-O 2.96Å; M334-V347 HydrophobicContact SD-CB 4.43Å; M334-V347 HydrophobicContact SD-CG2 3.89Å
335	T	97.3	Very high	95.7	Very high	41 Å²	41	39.2 Å²	39.2	25%	0.252	24%	0.236	S	C	.	.			trans	-80.5	162.3	170.2	67	0	0	0	0	110.9	I311 V313 A337 T338 I339	I311-T335 CarbonylContact O-C 3.58Å; I311-T335 WeakPolarHBondContact O-CA 3.22Å; V313-T335 HydrophobicContact CG2-CG2 3.75Å; T335-A337 VanDerWaalsContact C-N 3.26Å; T335-A337 PolarHBondContact O-N 2.95Å; T335-T338 PolarHBondContact N-OG1 3.05Å; T335-T338 PolarHBondContact O-N 2.84Å; T335-T338 PolarHBondContact O-OG1 3.26Å; T335-T338 WeakPolarHBondContact OG1-CG2 3.35Å; T335-T338 PolarHBondContact OG1-N 3.2Å; T335-T338 PolarHBondContact OG1-OG1 3.33Å; T335-I339 WeakPolarHBondContact O-CG1 3.32Å; T335-I339 PolarHBondContact O-N 3.28Å
336	T	96.8	Very high	95.6	Very high	21 Å²	21	41.5 Å²	41.5	13%	0.129	25%	0.248	C	C	.	.	H	α-helix	trans	-47.5	-47.8	174	-52.2	0	0	0	0	112.5	N47 Y307 D310 I311 T338 I339 A340	N47-T336 WeakPolarHBondContact ND2-CG2 3.38Å; Y307-T336 HydrophobicContact CD2-CG2 4.13Å; Y307-T336 HydrophobicContact CE2-CG2 3.68Å; D310-T336 PolarHBondContact N-OG1 3.25Å; I311-T336 PolarHBondContact N-OG1 3.06Å; I311-T336 PolarHBondContact O-N 3.46Å; I311-T336 PolarHBondContact O-OG1 2.89Å; T336-T338 PolarHBondContact O-N 3.34Å; T336-I339 PolarHBondContact O-N 3.47Å; T336-A340 PolarHBondContact O-N 3.19Å
337	A	95.8	Very high	95.6	Very high	66 Å²	66	41.4 Å²	41.4	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-42.6	179.7	0	0	0	0	0	112.2	T335 A340 T341	T335-A337 VanDerWaalsContact C-N 3.26Å; T335-A337 PolarHBondContact O-N 2.95Å; A337-A340 WeakPolarHBondContact O-CB 3.29Å; A337-A340 PolarHBondContact O-N 3.26Å; A337-T341 PolarHBondContact O-N 2.84Å; A337-T341 VanDerWaalsContact O-N 3.15Å; A337-T341 PolarHBondContact O-OG1 3.25Å; A337-T341 VanDerWaalsContact O-OG1 3.14Å
338	T	96	Very high	95.6	Very high	47 Å²	47	41.4 Å²	41.4	29%	0.288	25%	0.247	S	C	.	.	H	α-helix	trans	-69.2	-33.1	178.8	57.8	0	0	0	0	113	M334 T335 T336 A340 T341 C342	M334-T338 WeakPolarHBondContact CB-OG1 3.19Å; M334-T338 VanDerWaalsContact CE-O 3.31Å; M334-T338 WeakPolarHBondContact CE-O 3.33Å; T335-T338 PolarHBondContact N-OG1 3.05Å; T335-T338 PolarHBondContact O-N 2.84Å; T335-T338 PolarHBondContact O-OG1 3.26Å; T335-T338 WeakPolarHBondContact OG1-CG2 3.35Å; T335-T338 PolarHBondContact OG1-N 3.2Å; T335-T338 PolarHBondContact OG1-OG1 3.33Å; T336-T338 PolarHBondContact O-N 3.34Å; T338-A340 VanDerWaalsContact C-N 3.25Å; T338-A340 PolarHBondContact O-N 3.41Å; T338-T341 PolarHBondContact O-N 3.12Å; T338-C342 VanDerWaalsContact O-CB 3.3Å; T338-C342 WeakPolarHBondContact O-CB 3.35Å; T338-C342 PolarHBondContact O-N 3.4Å; T338-C342 PolarHBondContact O-SG 2.91Å; T338-C342 VanDerWaalsContact O-SG 3.32Å
339	I	96	Very high	95.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-36	174.4	-64.8	169.2	0	0	0	110.4	R49 I283 L301 V304 Y307 M334 T335 T336 V347	R49-I339 WeakPolarHBondContact CD-O 3.49Å; R49-I339 PolarHBondContact NE-O 3.19Å; I283-I339 HydrophobicContact CD1-CD1 4.33Å; L301-I339 HydrophobicContact CD1-CG2 3.91Å; V304-I339 HydrophobicContact CG1-CG2 4.49Å; Y307-I339 HydrophobicContact CD1-CG2 3.7Å; Y307-I339 HydrophobicContact CD2-CB 4.45Å; Y307-I339 HydrophobicContact CD2-CD1 4.35Å; Y307-I339 HydrophobicContact CD2-CG2 4.12Å; Y307-I339 HydrophobicContact CE1-CG2 3.57Å; Y307-I339 HydrophobicContact CE2-CB 4.12Å; Y307-I339 HydrophobicContact CE2-CG2 3.95Å; Y307-I339 HydrophobicContact CG-CG2 4Å; M334-I339 HydrophobicContact CB-CD1 4.4Å; M334-I339 HydrophobicContact CB-CG1 3.77Å; T335-I339 WeakPolarHBondContact O-CG1 3.32Å; T335-I339 PolarHBondContact O-N 3.28Å; T336-I339 PolarHBondContact O-N 3.47Å; I339-V347 HydrophobicContact CD1-CG1 3.83Å; I339-V347 HydrophobicContact CG1-CG1 4.11Å
340	A	93.8	Very high	95.6	Very high	50 Å²	50	48.8 Å²	48.8	41%	0.413	28%	0.28	S	S	.	.	H	α-helix	trans	-69.8	-42	178.6	0	0	0	0	0	112.8	Y307 T336 A337 T338	Y307-A340 WeakPolarHBondContact OH-CA 3.41Å; Y307-A340 WeakPolarHBondContact OH-CB 3.25Å; T336-A340 PolarHBondContact O-N 3.19Å; A337-A340 WeakPolarHBondContact O-CB 3.29Å; A337-A340 PolarHBondContact O-N 3.26Å; T338-A340 VanDerWaalsContact C-N 3.25Å; T338-A340 PolarHBondContact O-N 3.41Å
341	T	93	Very high	95.5	Very high	105 Å²	105	53.6 Å²	53.6	64%	0.644	30%	0.301	S	S	*	.	H	α-helix	trans	-95.7	-33.6	-168.4	56.9	0	0	0	0	114.8	A337 T338	A337-T341 PolarHBondContact O-N 2.84Å; A337-T341 VanDerWaalsContact O-N 3.15Å; A337-T341 PolarHBondContact O-OG1 3.25Å; A337-T341 VanDerWaalsContact O-OG1 3.14Å; T338-T341 PolarHBondContact O-N 3.12Å
342	C	93.2	Very high	95.4	Very high	45 Å²	45	56.2 Å²	56.2	30%	0.304	31%	0.307	S	S	.	.			trans	-73.1	147.7	-177.4	-63.7	0	0	0	0	111.5	R49 L301 M334 T338	R49-C342 PolarHBondContact NH2-O 3.2Å; L301-C342 HydrophobicContact CD2-CB 4.42Å; L301-C342 WeakPolarHBondContact CD2-O 3.36Å; M334-C342 HydrophobicContact CE-CB 3.8Å; T338-C342 VanDerWaalsContact O-CB 3.3Å; T338-C342 WeakPolarHBondContact O-CB 3.35Å; T338-C342 PolarHBondContact O-N 3.4Å; T338-C342 PolarHBondContact O-SG 2.91Å; T338-C342 VanDerWaalsContact O-SG 3.32Å
343	D	89.2	Confident	95.3	Very high	141 Å²	141	57.7 Å²	57.7	75%	0.754	32%	0.316	S	S	*	.	S	Bend	trans	-95.2	-24.4	175.6	-67	-42.8	0	0	0	113.3
344	H	90.5	Very high	95.2	Very high	161 Å²	161	54.7 Å²	54.7	75%	0.745	30%	0.3	S	S	*	.	S	Bend	trans	-137.6	150.8	173.7	67.4	64.7	0	0	0	110
345	G	92.6	Very high	95.1	Very high	16 Å²	16	54.3 Å²	54.3	17%	0.165	30%	0.299	C	S	.	.			trans	165.2	165.9	177.9	0	0	0	0	0	113.6	L301	L301-G345 PolarHBondContact N-O 2.97Å
346	L	95.6	Very high	94.8	Very high	52 Å²	52	56.2 Å²	56.2	27%	0.272	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	108.8	173.5	174.1	64.2	0	0	0	108.7	K298 L299 M300 L333 M334	K298-L346 HydrophobicContact CB-CD1 3.3Å; K298-L346 HydrophobicContact CD-CD1 3.78Å; K298-L346 HydrophobicContact CD-CD2 3.74Å; K298-L346 HydrophobicContact CD-CG 4.45Å; K298-L346 HydrophobicContact CG-CD1 4.19Å; L299-L346 WeakPolarHBondContact O-CD1 3.47Å; M300-L346 HydrophobicContact SD-CB 4.3Å; M300-L346 HydrophobicContact SD-CD1 3.88Å; L333-L346 HydrophobicContact CD1-CD2 3.37Å; L333-L346 HydrophobicContact CD1-CG 3.67Å; M334-L346 WeakPolarHBondContact CG-O 3.27Å
347	V	97.2	Very high	94.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-42.9	-172.4	178.3	0	0	0	0	111.6	I283 L299 L301 V304 L333 M334 I339	I283-V347 HydrophobicContact CD1-CG1 3.69Å; L299-V347 HydrophobicContact CD2-CB 4.15Å; L299-V347 HydrophobicContact CD2-CG1 4.05Å; L299-V347 HydrophobicContact CG-CB 4.07Å; L299-V347 PolarHBondContact O-N 2.91Å; L301-V347 HydrophobicContact CB-CG2 4Å; L301-V347 HydrophobicContact CD1-CG2 3.53Å; L301-V347 HydrophobicContact CG-CG2 4.39Å; V304-V347 HydrophobicContact CG2-CB 4.38Å; V304-V347 HydrophobicContact CG2-CG1 4.22Å; V304-V347 HydrophobicContact CG2-CG2 3.96Å; L333-V347 PolarHBondContact N-O 3.25Å; M334-V347 PolarHBondContact N-O 2.96Å; M334-V347 HydrophobicContact SD-CB 4.43Å; M334-V347 HydrophobicContact SD-CG2 3.89Å; I339-V347 HydrophobicContact CD1-CG1 3.83Å; I339-V347 HydrophobicContact CG1-CG1 4.11Å
348	A	97.7	Very high	94.3	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	145.1	-176.7	0	0	0	0	0	113	L299 I317 A330 V331	L299-A348 HydrophobicContact CB-CB 4.14Å; L299-A348 HydrophobicContact CD2-CB 4.2Å; L299-A348 PolarHBondContact N-O 2.74Å; L299-A348 PolarHBondContact O-N 3.42Å; I317-A348 HydrophobicContact CD1-CB 3.89Å; A330-A348 HydrophobicContact CB-CB 3.91Å; V331-A348 CarbonylContact O-C 3.6Å; V331-A348 VanDerWaalsContact O-CA 3.28Å; V331-A348 WeakPolarHBondContact O-CA 3.46Å; V331-A348 WeakPolarHBondContact O-CB 3.2Å
349	K	97.5	Very high	94	Very high	126 Å²	126	64.2 Å²	64.2	55%	0.548	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135	169.9	178	-178.3	174.8	-175.7	0	109.3	A330 V331 L333 K351	A330-K349 CarbonylContact C-O 3.58Å; A330-K349 VanDerWaalsContact CA-O 3.3Å; A330-K349 WeakPolarHBondContact CA-O 3.47Å; A330-K349 WeakPolarHBondContact CB-O 3.37Å; V331-K349 PolarHBondContact N-O 3.26Å; V331-K349 PolarHBondContact O-N 3.27Å; L333-K349 HydrophobicContact CD1-CB 3.95Å; L333-K349 HydrophobicContact CG-CB 4.43Å; K349-K351 PolarHBondContact O-N 2.85Å
350	L	97.1	Very high	93.8	Very high	32 Å²	32	64.3 Å²	64.3	17%	0.168	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.1	178.2	-57.5	-179.9	0	0	0	111.4	I293 A297 L319 A328 A330 V353	I293-L350 HydrophobicContact CG2-CD1 4.11Å; I293-L350 HydrophobicContact CG2-CD2 3.76Å; I293-L350 WeakPolarHBondContact O-CD1 3.47Å; A297-L350 WeakPolarHBondContact O-CD1 3.33Å; L319-L350 HydrophobicContact CD1-CD2 3.74Å; A328-L350 HydrophobicContact CB-CD2 3.99Å; A330-L350 HydrophobicContact CB-CD2 4.29Å; L350-V353 HydrophobicContact CD1-CG2 3.94Å
351	K	94.8	Very high	93.6	Very high	103 Å²	103	64.7 Å²	64.7	45%	0.448	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-42.9	169.8	-176.1	177.3	176.7	-175.8	0	110.2	E316 L329 V331 K349	E316-K351 IonicContact OE1-NZ 2.68Å; E316-K351 PolarHBondContact OE1-NZ 3.37Å; E316-K351 IonicContact OE2-NZ 2.97Å; E316-K351 PolarHBondContact OE2-NZ 3.2Å; L329-K351 WeakPolarHBondContact O-CA 3.44Å; L329-K351 WeakPolarHBondContact O-CB 2.94Å; L329-K351 PolarHBondContact O-N 2.85Å; V331-K351 HydrophobicContact CG2-CB 4.31Å; V331-K351 HydrophobicContact CG2-CD 4.4Å; K349-K351 PolarHBondContact O-N 2.85Å
352	R	95.2	Very high	93.3	Very high	91 Å²	91	65.9 Å²	65.9	34%	0.343	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	124.2	178.6	-172.2	156.2	-69.3	-162.8	-9.7	112.7	R125 A328 L329	R125-R352 WeakPolarHBondContact O-CD 2.91Å; R125-R352 PolarHBondContact O-NH1 2.97Å; A328-R352 CarbonylContact C-O 3.42Å; A328-R352 VanDerWaalsContact CA-O 3.3Å; A328-R352 WeakPolarHBondContact CA-O 3.31Å; A328-R352 WeakPolarHBondContact CB-O 3.46Å; L329-R352 HydrophobicContact CB-CB 4.46Å; L329-R352 PolarHBondContact N-O 3.47Å; L329-R352 PolarHBondContact O-N 3.34Å
353	V	96.8	Very high	92.8	Very high	30 Å²	30	66 Å²	66	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.1	173.2	177.8	0	0	0	0	110	R125 C294 L350 M355	R125-V353 VanDerWaalsContact CD-O 3.3Å; R125-V353 WeakPolarHBondContact CD-O 3.49Å; R125-V353 PolarHBondContact NH1-O 3.08Å; C294-V353 HydrophobicContact CB-CG1 4.36Å; L350-V353 HydrophobicContact CD1-CG2 3.94Å; V353-M355 WeakPolarHBondContact CG1-O 3.49Å
354	I	95.6	Very high	92	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	30%	0.298	C	S	.	.			trans	-100.5	-50.4	-179.5	-59.6	163.6	0	0	0	110.1	L126 L273 L277 A326 V327 L329	L126-I354 HydrophobicContact CD2-CD1 3.76Å; L126-I354 HydrophobicContact CD2-CG1 3.96Å; L273-I354 HydrophobicContact CD1-CG2 3.69Å; L273-I354 HydrophobicContact CD2-CG2 3.75Å; L273-I354 HydrophobicContact CG-CG2 4.44Å; L277-I354 HydrophobicContact CD1-CD1 3.66Å; A326-I354 HydrophobicContact CB-CD1 4.07Å; V327-I354 PolarHBondContact O-N 3.04Å; L329-I354 HydrophobicContact CG-CD1 4.33Å
355	M	95.6	Very high	90.9	Very high	12 Å²	12	59 Å²	59	6%	0.059	28%	0.276	C	S	.	.	S	Bend	trans	-66.3	151.9	-177.4	-178.2	176.3	-77.3	0	0	112.2	V290 T321 E325 V327 V353 L359 Y360	V290-M355 HydrophobicContact CG1-CE 4.46Å; V290-M355 HydrophobicContact CG1-SD 3.42Å; V290-M355 WeakPolarHBondContact CG1-SD 3.49Å; T321-M355 HydrophobicContact CG2-CE 3.8Å; E325-M355 HydrophobicContact CB-CE 3.67Å; V327-M355 HydrophobicContact CG1-CB 4.41Å; V327-M355 HydrophobicContact CG1-SD 4.5Å; V327-M355 HydrophobicContact CG2-CE 3.87Å; V327-M355 HydrophobicContact CG2-SD 4.1Å; V327-M355 PolarHBondContact O-N 3.23Å; V353-M355 WeakPolarHBondContact CG1-O 3.49Å; M355-L359 HydrophobicContact CE-CD2 4.19Å; M355-L359 HydrophobicContact CG-CD2 3.98Å; M355-L359 HydrophobicContact SD-CD2 4.04Å; M355-Y360 HydrophobicContact CE-CE2 4.11Å; M355-Y360 HydrophobicContact SD-CD2 3.92Å; M355-Y360 HydrophobicContact SD-CE2 4.04Å
356	E	91.4	Very high	89.9	Confident	80 Å²	80	66 Å²	66	37%	0.374	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-71.4	153.9	175.3	-82.2	176.1	-161.2	0	0	112	R122 C294	R122-E356 WeakPolarHBondContact CD-OE1 3.38Å; R122-E356 HydrophobicContact CG-CG 4.38Å; R122-E356 WeakPolarHBondContact CG-OE1 3.41Å; R122-E356 IonicContact CZ-OE1 3.76Å; R122-E356 IonicContact NE-OE1 3.29Å; R122-E356 IonicContact NH1-OE1 2.72Å; R122-E356 PolarHBondContact NH1-OE1 3.08Å; R122-E356 IonicContact NH1-OE2 3.22Å; C294-E356 PolarHBondContact SG-O 3.4Å
357	R	91.4	Very high	88.7	Confident	159 Å²	159	65.2 Å²	65.2	60%	0.6	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	148.4	172.5	-65.9	173	-179.1	177.4	1.4	108.2	C294 F295 L359	C294-R357 HydrophobicContact CB-CG 4.37Å; F295-R357 HydrophobicContact CD1-CG 4.44Å; F295-R357 HydrophobicContact CE1-CB 4.37Å; F295-R357 HydrophobicContact CE1-CG 4.22Å; F295-R357 HydrophobicContact CE2-CB 4.02Å; F295-R357 HydrophobicContact CE2-CG 4.29Å; F295-R357 HydrophobicContact CZ-CB 3.83Å; F295-R357 HydrophobicContact CZ-CG 4.12Å; R357-L359 PolarHBondContact O-N 2.99Å; R357-L359 VanDerWaalsContact O-N 3.1Å
358	D	90	Very high	87.7	Confident	83 Å²	83	70.2 Å²	70.2	44%	0.444	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	7.2	174.8	-55.4	-41.6	0	0	0	116.7	F295 Y360 R362	F295-D358 WeakPolarHBondContact CE2-OD1 3.45Å; D358-Y360 VanDerWaalsContact C-N 3.28Å; D358-Y360 PolarHBondContact O-N 3.35Å; D358-R362 VanDerWaalsContact CG-NH2 3.29Å; D358-R362 IonicContact OD1-CZ 3.75Å; D358-R362 VanDerWaalsContact OD1-CZ 3.29Å; D358-R362 IonicContact OD1-NE 3.65Å; D358-R362 PolarHBondContact OD1-NE 2.73Å; D358-R362 IonicContact OD1-NH2 2.75Å; D358-R362 PolarHBondContact OD1-NH2 3.31Å; D358-R362 IonicContact OD2-CZ 3.09Å; D358-R362 IonicContact OD2-NE 2.57Å; D358-R362 IonicContact OD2-NH2 3.86Å; D358-R362 PolarHBondContact OD2-NH2 3.21Å
359	L	89.6	Confident	86.7	Confident	61 Å²	61	76 Å²	76	32%	0.319	37%	0.37	S	S	.	.	S	Bend	trans	-62.1	-39	168.1	179.8	64.8	0	0	0	111.7	M355 R357	M355-L359 HydrophobicContact CE-CD2 4.19Å; M355-L359 HydrophobicContact CG-CD2 3.98Å; M355-L359 HydrophobicContact SD-CD2 4.04Å; R357-L359 PolarHBondContact O-N 2.99Å; R357-L359 VanDerWaalsContact O-N 3.1Å
360	Y	92.3	Very high	85.5	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.008	36%	0.357	C	S	.	.	S	Bend	trans	-102.8	147	171.1	-81.5	-100.7	0	0	0	109.6	D56 T58 D287 V290 C291 T321 E325 M355 D358	D56-Y360 HydrophobicContact CB-CD1 4.31Å; D56-Y360 HydrophobicContact CB-CE1 4.1Å; T58-Y360 PolarHBondContact O-OH 3.42Å; T58-Y360 WeakPolarHBondContact OG1-CD1 3.21Å; T58-Y360 WeakPolarHBondContact OG1-CE1 3.39Å; D287-Y360 HydrophobicContact CB-CD1 4.12Å; D287-Y360 HydrophobicContact CB-CE1 3.86Å; V290-Y360 HydrophobicContact CB-CD1 4.44Å; V290-Y360 HydrophobicContact CB-CD2 4.3Å; V290-Y360 HydrophobicContact CB-CG 4.1Å; V290-Y360 HydrophobicContact CG1-CD2 3.62Å; V290-Y360 HydrophobicContact CG1-CE2 4.09Å; V290-Y360 HydrophobicContact CG1-CG 3.9Å; C291-Y360 WeakPolarHBondContact CB-O 3.43Å; C291-Y360 PolarHBondContact SG-O 3.09Å; T321-Y360 HydrophobicContact CG2-CE2 4.02Å; E325-Y360 PolarHBondContact OE2-OH 3.28Å; E325-Y360 VanDerWaalsContact OE2-OH 3.09Å; M355-Y360 HydrophobicContact CE-CE2 4.11Å; M355-Y360 HydrophobicContact SD-CD2 3.92Å; M355-Y360 HydrophobicContact SD-CE2 4.04Å; D358-Y360 VanDerWaalsContact C-N 3.28Å; D358-Y360 PolarHBondContact O-N 3.35Å
361	P	89.9	Confident	84.6	Confident	57 Å²	57	75 Å²	75	37%	0.37	37%	0.372	S	S	.	.			trans	-64.2	146.7	-177.4	26.1	-34.2	0	0	0	112.1	D56 Q363	D56-P361 VanDerWaalsContact OD2-CD 3.25Å; D56-P361 WeakPolarHBondContact OD2-CD 3.27Å; D56-P361 WeakPolarHBondContact OD2-CG 3.42Å; P361-Q363 HydrophobicContact CG-CG 4.49Å; P361-Q363 PolarHBondContact O-N 3.37Å
362	R	86.9	Confident	83.9	Confident	130 Å²	130	74.3 Å²	74.3	49%	0.491	37%	0.37	S	S	.	.			trans	-73.8	108.2	175.5	-63.5	-179	-172.8	178	6.8	109.9	D358 W364	D358-R362 VanDerWaalsContact CG-NH2 3.29Å; D358-R362 IonicContact OD1-CZ 3.75Å; D358-R362 VanDerWaalsContact OD1-CZ 3.29Å; D358-R362 IonicContact OD1-NE 3.65Å; D358-R362 PolarHBondContact OD1-NE 2.73Å; D358-R362 IonicContact OD1-NH2 2.75Å; D358-R362 PolarHBondContact OD1-NH2 3.31Å; D358-R362 IonicContact OD2-CZ 3.09Å; D358-R362 IonicContact OD2-NE 2.57Å; D358-R362 IonicContact OD2-NH2 3.86Å; D358-R362 PolarHBondContact OD2-NH2 3.21Å; R362-W364 HydrophobicContact CG-CZ2 4.39Å
363	Q	82.4	Confident	83.1	Confident	47 Å²	47	76 Å²	76	22%	0.22	38%	0.376	C	S	.	.			trans	-106.3	34.4	179.7	-59.4	-160.4	8.9	0	0	113.8	T288 P361	T288-Q363 VanDerWaalsContact CB-OE1 3.3Å; P361-Q363 HydrophobicContact CG-CG 4.49Å; P361-Q363 PolarHBondContact O-N 3.37Å
364	W	72.8	Confident	82.3	Confident	128 Å²	128	80.3 Å²	80.3	49%	0.485	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	144.4	-176.9	-53.1	-24.7	0	0	0	112.8	F295 R362 R366	F295-W364 HydrophobicContact CB-CZ2 4.41Å; F295-W364 HydrophobicContact CD2-CH2 4.16Å; F295-W364 AromaticContact CD2-CZ2 3.67Å; F295-W364 HydrophobicContact CD2-CZ2 3.67Å; F295-W364 HydrophobicContact CE2-CH2 4.37Å; F295-W364 HydrophobicContact CE2-CZ2 4.15Å; F295-W364 HydrophobicContact CG-CH2 4.32Å; F295-W364 HydrophobicContact CG-CZ2 4.04Å; R362-W364 HydrophobicContact CG-CZ2 4.39Å; W364-R366 PolarHBondContact O-N 3.48Å
365	G	67.1	Low	81.8	Confident	29 Å²	29	85.8 Å²	85.8	30%	0.299	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	27.3	172.9	0	0	0	0	0	114.7	S370 K374	G365-S370 WeakPolarHBondContact CA-OG 3.44Å; G365-S370 WeakPolarHBondContact O-CB 3.47Å; G365-S370 PolarHBondContact O-OG 3.42Å; G365-S370 VanDerWaalsContact O-OG 3.08Å; G365-K374 PolarHBondContact O-NZ 3.44Å
366	R	71.4	Confident	81.3	Confident	161 Å²	161	87.9 Å²	87.9	61%	0.608	43%	0.428	S	S	*	.			trans	-91.5	-5.1	167.9	-65	-170.1	178.3	-167.8	-1.5	113.1	W364 M371	W364-R366 PolarHBondContact O-N 3.48Å; R366-M371 WeakPolarHBondContact O-CE 3.07Å
367	G	70.6	Confident	80.7	Confident	36 Å²	36	85.8 Å²	85.8	37%	0.371	42%	0.42	S	S	.	.	S	Bend	trans	-65	155	176.1	0	0	0	0	0	112.1	V369 S370 M371	G367-V369 VanDerWaalsContact C-N 3.32Å; G367-V369 PolarHBondContact O-N 3.04Å; G367-S370 CarbonylContact O-C 3.59Å; G367-S370 WeakPolarHBondContact O-CA 3.41Å; G367-S370 PolarHBondContact O-N 3.23Å; G367-M371 PolarHBondContact O-N 3.2Å
368	P	75.1	Confident	80.2	Confident	106 Å²	106	82.4 Å²	82.4	69%	0.688	43%	0.426	S	S	*	.	H	α-helix	trans	-55.3	-44.7	-174.2	20	-32	0	0	0	112.3	S370 M371 E372	P368-S370 VanDerWaalsContact C-N 3.33Å; P368-S370 PolarHBondContact O-N 2.91Å; P368-M371 PolarHBondContact O-N 3.25Å; P368-E372 WeakPolarHBondContact O-CB 3.34Å; P368-E372 PolarHBondContact O-N 3.03Å
369	V	76.1	Confident	80.1	Confident	121 Å²	121	84.5 Å²	84.5	73%	0.733	43%	0.433	S	S	*	.	H	α-helix	trans	-63.7	-37.2	176.5	-177.6	0	0	0	0	112.1	G367 R373	G367-V369 VanDerWaalsContact C-N 3.32Å; G367-V369 PolarHBondContact O-N 3.04Å; V369-R373 VanDerWaalsContact O-CB 3.32Å; V369-R373 WeakPolarHBondContact O-CB 3.35Å; V369-R373 PolarHBondContact O-N 3.32Å
370	S	73.3	Confident	79.6	Confident	40 Å²	40	84.5 Å²	84.5	28%	0.28	45%	0.449	S	S	.	.	H	α-helix	trans	-75	-32.6	178.8	-173	0	0	0	0	112.4	G365 G367 P368 K374	G365-S370 WeakPolarHBondContact CA-OG 3.44Å; G365-S370 WeakPolarHBondContact O-CB 3.47Å; G365-S370 PolarHBondContact O-OG 3.42Å; G365-S370 VanDerWaalsContact O-OG 3.08Å; G367-S370 CarbonylContact O-C 3.59Å; G367-S370 WeakPolarHBondContact O-CA 3.41Å; G367-S370 PolarHBondContact O-N 3.23Å; P368-S370 VanDerWaalsContact C-N 3.33Å; P368-S370 PolarHBondContact O-N 2.91Å; S370-K374 WeakPolarHBondContact O-CB 3.14Å; S370-K374 VanDerWaalsContact O-CG 3.27Å; S370-K374 WeakPolarHBondContact O-CG 3.49Å; S370-K374 PolarHBondContact O-N 2.99Å
371	M	78.9	Confident	79	Confident	97 Å²	97	90.3 Å²	90.3	48%	0.478	48%	0.479	S	S	.	.	H	α-helix	trans	-69.6	-43.4	173	-69.9	-161.1	-71.5	0	0	110.7	R366 G367 P368 R373 K374 K375	R366-M371 WeakPolarHBondContact O-CE 3.07Å; G367-M371 PolarHBondContact O-N 3.2Å; P368-M371 PolarHBondContact O-N 3.25Å; M371-R373 PolarHBondContact O-N 3Å; M371-K374 WeakPolarHBondContact O-CB 3.32Å; M371-K374 PolarHBondContact O-N 2.85Å; M371-K374 VanDerWaalsContact O-N 3.12Å; M371-K375 WeakPolarHBondContact O-CG 3.3Å; M371-K375 PolarHBondContact O-N 3.25Å
372	E	80	Confident	78.2	Confident	89 Å²	89	91.2 Å²	91.2	42%	0.416	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-42.2	176.4	-161.3	58.4	-152.2	0	0	111.5	P368 K374 K375 L376	P368-E372 WeakPolarHBondContact O-CB 3.34Å; P368-E372 PolarHBondContact O-N 3.03Å; E372-K374 VanDerWaalsContact C-N 3.32Å; E372-K374 PolarHBondContact O-N 3.46Å; E372-K375 WeakPolarHBondContact O-CB 3.46Å; E372-K375 PolarHBondContact O-N 3.03Å; E372-K375 VanDerWaalsContact O-N 3.12Å; E372-K375 IonicContact OE2-NZ 2.71Å; E372-K375 PolarHBondContact OE2-NZ 3.14Å; E372-L376 WeakPolarHBondContact O-CG 3.35Å; E372-L376 PolarHBondContact O-N 3.15Å
373	R	78	Confident	77.6	Confident	125 Å²	125	92.9 Å²	92.9	47%	0.472	49%	0.491	S	S	.	.	H	α-helix	trans	-59.3	-41.7	171.4	-176.4	177.3	171.4	-169.5	-2.8	111.9	V369 M371 K375 L376 V377 L382	V369-R373 VanDerWaalsContact O-CB 3.32Å; V369-R373 WeakPolarHBondContact O-CB 3.35Å; V369-R373 PolarHBondContact O-N 3.32Å; M371-R373 PolarHBondContact O-N 3Å; R373-K375 VanDerWaalsContact C-N 3.33Å; R373-L376 PolarHBondContact O-N 2.63Å; R373-V377 HydrophobicContact CG-CG2 4.33Å; R373-V377 WeakPolarHBondContact O-CB 3.5Å; R373-V377 WeakPolarHBondContact O-CG2 3.42Å; R373-V377 PolarHBondContact O-N 2.76Å; R373-L382 HydrophobicContact CG-CD2 3.93Å
374	K	79.9	Confident	76.5	Confident	121 Å²	121	98 Å²	98	53%	0.526	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-38.1	175.6	-77.5	169.6	178.4	171	0	111.7	G365 S370 M371 E372 A378	G365-K374 PolarHBondContact O-NZ 3.44Å; S370-K374 WeakPolarHBondContact O-CB 3.14Å; S370-K374 VanDerWaalsContact O-CG 3.27Å; S370-K374 WeakPolarHBondContact O-CG 3.49Å; S370-K374 PolarHBondContact O-N 2.99Å; M371-K374 WeakPolarHBondContact O-CB 3.32Å; M371-K374 PolarHBondContact O-N 2.85Å; M371-K374 VanDerWaalsContact O-N 3.12Å; E372-K374 VanDerWaalsContact C-N 3.32Å; E372-K374 PolarHBondContact O-N 3.46Å; K374-A378 WeakPolarHBondContact O-CB 3.43Å; K374-A378 PolarHBondContact O-N 3.15Å
375	K	84.2	Confident	75.7	Confident	118 Å²	118	101.3 Å²	101.3	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-47.8	173.8	-69.5	178.1	-172	169.3	0	112.2	M371 E372 R373 V377 A378 Q379	M371-K375 WeakPolarHBondContact O-CG 3.3Å; M371-K375 PolarHBondContact O-N 3.25Å; E372-K375 WeakPolarHBondContact O-CB 3.46Å; E372-K375 PolarHBondContact O-N 3.03Å; E372-K375 VanDerWaalsContact O-N 3.12Å; E372-K375 IonicContact OE2-NZ 2.71Å; E372-K375 PolarHBondContact OE2-NZ 3.14Å; R373-K375 VanDerWaalsContact C-N 3.33Å; K375-V377 VanDerWaalsContact C-N 3.31Å; K375-V377 PolarHBondContact O-N 3.14Å; K375-A378 CarbonylContact O-C 3.56Å; K375-A378 WeakPolarHBondContact O-CA 3.44Å; K375-A378 WeakPolarHBondContact O-CB 3.43Å; K375-A378 PolarHBondContact O-N 3.11Å; K375-A378 VanDerWaalsContact O-N 3.07Å; K375-Q379 WeakPolarHBondContact O-CB 3.42Å; K375-Q379 WeakPolarHBondContact O-CG 3.48Å; K375-Q379 PolarHBondContact O-N 3.21Å
376	L	85.3	Confident	75	Confident	56 Å²	56	102.6 Å²	102.6	29%	0.293	54%	0.535	S	S	.	.	H	α-helix	trans	-62.2	-37.9	177.2	-70.4	171.8	0	0	0	112.3	E372 R373 Q379 G380 L381 L382	E372-L376 WeakPolarHBondContact O-CG 3.35Å; E372-L376 PolarHBondContact O-N 3.15Å; R373-L376 PolarHBondContact O-N 2.63Å; L376-Q379 PolarHBondContact O-N 3.32Å; L376-G380 PolarHBondContact O-N 2.93Å; L376-L381 HydrophobicContact CD2-CB 4.3Å; L376-L381 HydrophobicContact CD2-CD1 3.83Å; L376-L381 PolarHBondContact O-N 2.86Å; L376-L381 VanDerWaalsContact O-N 3.09Å; L376-L382 HydrophobicContact CB-CB 4.22Å; L376-L382 PolarHBondContact O-N 3.43Å
377	V	80.2	Confident	73.8	Confident	35 Å²	35	104.4 Å²	104.4	21%	0.212	55%	0.548	C	S	.	.	H	α-helix	trans	-66	-39.8	172.6	170.3	0	0	0	0	111	R373 K375 Q379 G380 L382 K384	R373-V377 HydrophobicContact CG-CG2 4.33Å; R373-V377 WeakPolarHBondContact O-CB 3.5Å; R373-V377 WeakPolarHBondContact O-CG2 3.42Å; R373-V377 PolarHBondContact O-N 2.76Å; K375-V377 VanDerWaalsContact C-N 3.31Å; K375-V377 PolarHBondContact O-N 3.14Å; V377-Q379 VanDerWaalsContact C-N 3.33Å; V377-G380 PolarHBondContact O-N 3.08Å; V377-L382 HydrophobicContact CG2-CB 3.93Å; V377-L382 HydrophobicContact CG2-CD2 4.46Å; V377-K384 HydrophobicContact CG1-CG 3.63Å
378	A	80.7	Confident	72.5	Confident	88 Å²	88	107.7 Å²	107.7	73%	0.727	57%	0.565	S	S	*	*	H	α-helix	trans	-67.7	-32.9	176	0	0	0	0	0	112.6	K374 K375 G380	K374-A378 WeakPolarHBondContact O-CB 3.43Å; K374-A378 PolarHBondContact O-N 3.15Å; K375-A378 CarbonylContact O-C 3.56Å; K375-A378 WeakPolarHBondContact O-CA 3.44Å; K375-A378 WeakPolarHBondContact O-CB 3.43Å; K375-A378 PolarHBondContact O-N 3.11Å; K375-A378 VanDerWaalsContact O-N 3.07Å; A378-G380 PolarHBondContact O-N 3.26Å
379	Q	86.9	Confident	70.7	Confident	127 Å²	127	108.9 Å²	108.9	59%	0.593	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-3.7	173.2	-70.5	171	-10.4	0	0	113.2	K375 L376 V377 L381	K375-Q379 WeakPolarHBondContact O-CB 3.42Å; K375-Q379 WeakPolarHBondContact O-CG 3.48Å; K375-Q379 PolarHBondContact O-N 3.21Å; L376-Q379 PolarHBondContact O-N 3.32Å; V377-Q379 VanDerWaalsContact C-N 3.33Å; Q379-L381 HydrophobicContact CB-CD1 3.77Å; Q379-L381 HydrophobicContact CB-CG 4.38Å; Q379-L381 PolarHBondContact O-N 3.49Å; Q379-L381 VanDerWaalsContact OE1-CD1 3.28Å
380	G	79.1	Confident	68.7	Low	62 Å²	62	106.9 Å²	106.9	64%	0.639	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.4	-1.6	-179.6	0	0	0	0	0	115.3	L376 V377 A378 L382	L376-G380 PolarHBondContact O-N 2.93Å; V377-G380 PolarHBondContact O-N 3.08Å; A378-G380 PolarHBondContact O-N 3.26Å; G380-L382 PolarHBondContact O-N 2.78Å
381	L	79.5	Confident	66.9	Low	124 Å²	124	110.9 Å²	110.9	65%	0.649	59%	0.591	S	S	*	*	S	Bend	trans	-66.6	-23.6	176.7	-73.2	149.6	0	0	0	112.4	L376 Q379	L376-L381 HydrophobicContact CD2-CB 4.3Å; L376-L381 HydrophobicContact CD2-CD1 3.83Å; L376-L381 PolarHBondContact O-N 2.86Å; L376-L381 VanDerWaalsContact O-N 3.09Å; Q379-L381 HydrophobicContact CB-CD1 3.77Å; Q379-L381 HydrophobicContact CB-CG 4.38Å; Q379-L381 PolarHBondContact O-N 3.49Å; Q379-L381 VanDerWaalsContact OE1-CD1 3.28Å
382	L	73.6	Confident	64.6	Low	75 Å²	75	111.6 Å²	111.6	39%	0.393	60%	0.602	S	S	.	*	S	Bend	trans	-128.8	132.2	-179.2	-134.4	79.5	0	0	0	111.5	R373 L376 V377 G380	R373-L382 HydrophobicContact CG-CD2 3.93Å; L376-L382 HydrophobicContact CB-CB 4.22Å; L376-L382 PolarHBondContact O-N 3.43Å; V377-L382 HydrophobicContact CG2-CB 3.93Å; V377-L382 HydrophobicContact CG2-CD2 4.46Å; G380-L382 PolarHBondContact O-N 2.78Å
383	K	74.1	Confident	62.1	Low	166 Å²	166	114.8 Å²	114.8	72%	0.722	62%	0.622	S	S	*	*			trans	-68.2	142.5	171.5	-67.7	-177.5	-179.2	174.8	0	110.6	F385	K383-F385 PolarHBondContact O-N 2.94Å
384	K	60.5	Low	59.7	Low	155 Å²	155	115.3 Å²	115.3	67%	0.674	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-38.8	178	-76.8	179.4	179.3	175.3	0	112.9	V377	V377-K384 HydrophobicContact CG1-CG 3.63Å
385	F	56	Low	57.3	Low	196 Å²	196	113.8 Å²	113.8	86%	0.86	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.2	60.3	-176.9	-58.1	-82	0	0	0	111.7	K383	K383-F385 PolarHBondContact O-N 2.94Å
386	S	51.8	Low	54.5	Low	56 Å²	56	116 Å²	116	39%	0.392	66%	0.661	S	S	.	*			trans	-85.3	118	164.7	161.7	0	0	0	0	108.7	S388	S386-S388 PolarHBondContact O-N 3.44Å
387	K	45.6	Very low	51.7	Low	200 Å²	200	118.5 Å²	118.5	87%	0.87	68%	0.683	S	S	*	*			trans	-62.3	123	142.6	-80.1	178.3	177.6	174.4	0	103.5	D389	K387-D389 PolarHBondContact O-N 2.9Å
388	S	43.3	Very low	49.1	Very low	105 Å²	105	124.4 Å²	124.4	73%	0.734	72%	0.719	S	S	*	*			trans	-52.7	106.8	179.9	49	0	0	0	0	109.2	S386	S386-S388 PolarHBondContact O-N 3.44Å
389	D	37.7	Very low	46.5	Very low	131 Å²	131	123.2 Å²	123.2	70%	0.701	72%	0.715	S	S	*	*			trans	-56.5	141.4	152.5	-61.8	-43.7	0	0	0	105.6	K387 V391	K387-D389 PolarHBondContact O-N 2.9Å; D389-V391 PolarHBondContact O-N 3.12Å
390	G	34.8	Very low	43.6	Very low	78 Å²	78	124.6 Å²	124.6	80%	0.804	73%	0.725	S	S	*	*	S	Bend	trans	-57.9	36.3	-162.8	0	0	0	0	0	119.3	T392	G390-T392 VanDerWaalsContact C-N 3.31Å; G390-T392 PolarHBondContact O-N 2.89Å; G390-T392 VanDerWaalsContact O-N 3.09Å
391	V	34.6	Very low	40.9	Very low	124 Å²	124	132 Å²	132	75%	0.752	74%	0.74	S	S	*	*			trans	-81.8	83.3	169.7	-170.9	0	0	0	0	107.9	D389 N393	D389-V391 PolarHBondContact O-N 3.12Å; V391-N393 PolarHBondContact O-N 3.12Å
392	T	31	Very low	38.4	Very low	113 Å²	113	131 Å²	131	69%	0.693	74%	0.74	S	S	*	*			trans	-42.7	118.9	158.1	28.9	0	0	0	0	110.1	G390 T394	G390-T392 VanDerWaalsContact C-N 3.31Å; G390-T392 PolarHBondContact O-N 2.89Å; G390-T392 VanDerWaalsContact O-N 3.09Å; T392-T394 PolarHBondContact O-N 3.49Å
393	N	27.5	Very low	36.1	Very low	156 Å²	156	136.8 Å²	136.8	83%	0.834	76%	0.761	S	S	*	*			trans	-55.2	104.1	164.5	-97.8	-17.7	0	0	0	108.6	V391 S395	V391-N393 PolarHBondContact O-N 3.12Å; N393-S395 PolarHBondContact O-N 3.03Å
394	T	28.3	Very low	33.7	Very low	136 Å²	136	136.6 Å²	136.6	83%	0.834	77%	0.765	S	S	*	*			trans	-81.8	13.4	179.5	26.1	0	0	0	0	114	T392	T392-T394 PolarHBondContact O-N 3.49Å
395	S	28.1	Very low	31.9	Very low	89 Å²	89	138.2 Å²	138.2	62%	0.622	78%	0.775	S	S	*	*	S	Bend	trans	-125.3	26.9	-165.2	68.4	0	0	0	0	116.7	N393	N393-S395 PolarHBondContact O-N 3.03Å
396	N	26.2	Very low	30.6	Very low	165 Å²	165	134.6 Å²	134.6	88%	0.882	77%	0.769	S	S	*	*	S	Bend	trans	-144.3	34.5	173.7	-104.9	-2.8	0	0	0	115.9
397	S	26.4	Very low	29.4	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	79%	0.786	S	S	*	*			trans	-123.2	67.5	166	64.6	0	0	0	0	110.3	G399	S397-G399 PolarHBondContact O-N 3.38Å
398	V	25.9	Very low	28.4	Very low	159 Å²	159	137.1 Å²	137.1	96%	0.964	79%	0.789	S	S	*	*			trans	-80.5	85	158.3	-175.9	0	0	0	0	105.8
399	G	25.2	Very low	27.8	Very low	62 Å²	62	136.9 Å²	136.9	64%	0.639	79%	0.794	S	S	*	*	S	Bend	trans	-166.6	86.3	-174.4	0	0	0	0	0	110.8	S397	S397-G399 PolarHBondContact O-N 3.38Å
400	L	26.3	Very low	27.4	Very low	157 Å²	157	134.8 Å²	134.8	82%	0.822	80%	0.803	S	S	*	*			trans	38.2	92.1	152.3	-124.5	71.4	0	0	0	117.1	T402	L400-T402 VanDerWaalsContact C-N 3.35Å; L400-T402 PolarHBondContact O-N 2.91Å; L400-T402 VanDerWaalsContact O-N 3.09Å
401	K	23.6	Very low	27.1	Very low	216 Å²	216	139.9 Å²	139.9	94%	0.939	81%	0.806	S	S	*	*			trans	-72.5	88.2	158.7	-73.3	-179.5	177	178.1	0	109
402	T	26.8	Very low	26.8	Very low	105 Å²	105	138.7 Å²	138.7	64%	0.644	81%	0.809	S	S	*	*			trans	-95.8	108.5	161.9	-42	0	0	0	0	107.4	L400 M404	L400-T402 VanDerWaalsContact C-N 3.35Å; L400-T402 PolarHBondContact O-N 2.91Å; L400-T402 VanDerWaalsContact O-N 3.09Å; T402-M404 PolarHBondContact O-N 2.9Å; T402-M404 VanDerWaalsContact O-N 3.12Å
403	K	23.7	Very low	26.7	Very low	196 Å²	196	139.5 Å²	139.5	85%	0.852	81%	0.814	S	S	*	*			trans	-59.8	109.3	172.3	-76.6	178.1	171.2	-176.5	0	108.4
404	M	24	Very low	26.7	Very low	161 Å²	161	138.2 Å²	138.2	79%	0.793	81%	0.811	S	S	*	*			trans	-110.7	108.5	158.9	-81.4	-175.6	65.5	0	0	107.2	T402 V406	T402-M404 PolarHBondContact O-N 2.9Å; T402-M404 VanDerWaalsContact O-N 3.12Å; M404-V406 PolarHBondContact O-N 3.29Å
405	E	23.4	Very low	26.7	Very low	190 Å²	190	143.3 Å²	143.3	89%	0.888	82%	0.815	S	S	*	*			trans	-68.1	112.5	166.3	-67.5	173.8	173.8	0	0	107.1
406	V	28.6	Very low	26.8	Very low	120 Å²	120	147 Å²	147	73%	0.727	83%	0.826	S	S	*	*			trans	-119.6	113.1	169.1	-177	0	0	0	0	107.5	M404	M404-V406 PolarHBondContact O-N 3.29Å
407	S	25.5	Very low	26.9	Very low	109 Å²	109	148.6 Å²	148.6	76%	0.762	83%	0.825	S	S	*	*			trans	-51.6	142.4	176	48.1	0	0	0	0	113.5	A409	S407-A409 PolarHBondContact O-N 2.88Å
408	E	25.4	Very low	27	Very low	200 Å²	200	147.6 Å²	147.6	94%	0.935	82%	0.823	S	S	*	*			trans	-60.1	120	175	-61.1	174	152.3	0	0	111.8
409	A	31.7	Very low	27.3	Very low	100 Å²	100	146 Å²	146	83%	0.826	82%	0.816	S	S	*	*			trans	-138	87.7	158.7	0	0	0	0	0	107.4	S407 E411	S407-A409 PolarHBondContact O-N 2.88Å; A409-E411 PolarHBondContact O-N 3.4Å
410	G	28.1	Very low	27.5	Very low	86 Å²	86	150.2 Å²	150.2	89%	0.887	82%	0.824	S	S	*	*			trans	-80	99.9	177.7	0	0	0	0	0	110.8
411	E	29.2	Very low	27.6	Very low	185 Å²	185	149 Å²	149	86%	0.864	83%	0.826	S	S	*	*			trans	-92.1	120.9	162.5	-83.2	-173	158.2	0	0	110.3	A409 V413	A409-E411 PolarHBondContact O-N 3.4Å; E411-V413 PolarHBondContact O-N 2.93Å
412	A	27.4	Very low	27.9	Very low	99 Å²	99	143.1 Å²	143.1	82%	0.818	81%	0.812	S	S	*	*			trans	-72.8	101.4	-178.7	0	0	0	0	0	111.1	T414	A412-T414 PolarHBondContact O-N 2.63Å
413	V	30.2	Very low	28.1	Very low	131 Å²	131	146.2 Å²	146.2	79%	0.794	83%	0.825	S	S	*	*			trans	-86.1	107.4	169	-176.5	0	0	0	0	109.3	E411 R415	E411-V413 PolarHBondContact O-N 2.93Å; V413-R415 PolarHBondContact O-N 3.09Å
414	T	27.2	Very low	28.4	Very low	128 Å²	128	142.5 Å²	142.5	79%	0.785	82%	0.823	S	S	*	*			trans	-58.6	117.7	174.3	27.6	0	0	0	0	111.3	A412 I416	A412-T414 PolarHBondContact O-N 2.63Å; T414-I416 PolarHBondContact O-N 3.2Å
415	R	27.8	Very low	28.8	Very low	243 Å²	243	139.6 Å²	139.6	92%	0.917	82%	0.818	S	S	*	*			trans	-73.1	108.3	174.5	-74.8	-179.8	176.9	175.5	-0.3	110.4	V413 K417	V413-R415 PolarHBondContact O-N 3.09Å; R415-K417 PolarHBondContact O-N 3.09Å
416	I	30.5	Very low	29.2	Very low	167 Å²	167	138.1 Å²	138.1	86%	0.856	82%	0.817	S	S	*	*			trans	-71.3	112.6	165.8	-60.6	173.4	0	0	0	107.9	T414 A418	T414-I416 PolarHBondContact O-N 3.2Å; I416-A418 PolarHBondContact O-N 3.33Å
417	K	28.5	Very low	29.4	Very low	199 Å²	199	139.6 Å²	139.6	87%	0.865	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71.4	117.5	172.8	-86.6	-179.4	173.3	177.7	0	109.5	R415	R415-K417 PolarHBondContact O-N 3.09Å
418	A	28.8	Very low	29.6	Very low	86 Å²	86	143.5 Å²	143.5	71%	0.711	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-75.7	139.1	163.4	0	0	0	0	0	109.7	I416	I416-A418 PolarHBondContact O-N 3.33Å
419	P	31	Very low	29.8	Very low	126 Å²	126	142.8 Å²	142.8	82%	0.818	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-74.3	138.6	-177.4	28.1	-31.5	0	0	0	112
420	N	30.4	Very low	29.7	Very low	151 Å²	151	142.5 Å²	142.5	81%	0.807	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-67.1	128.7	175.8	-84.8	-15.8	0	0	0	110.8	S422	N420-S422 PolarHBondContact O-N 3.17Å
421	P	28.4	Very low	29.8	Very low	131 Å²	131	143.8 Å²	143.8	85%	0.851	82%	0.819	S	S	*	*			trans	-91.1	91.1	170.6	32.6	-26.3	0	0	0	109.3
422	S	30.3	Very low	29.9	Very low	92 Å²	92	144.2 Å²	144.2	64%	0.643	82%	0.818	S	S	*	*			trans	-148.7	87.8	165.4	59.4	0	0	0	0	107.6	N420	N420-S422 PolarHBondContact O-N 3.17Å
423	D	29.1	Very low	29.9	Very low	171 Å²	171	147 Å²	147	91%	0.914	82%	0.819	S	S	*	*			trans	-180	84.4	155.9	-89.1	-17.8	0	0	0	107.1
424	S	31.7	Very low	30	Very low	117 Å²	117	148.2 Å²	148.2	82%	0.818	82%	0.82	S	S	*	*			trans	-141.9	92.8	159.4	62.5	0	0	0	0	106.2
425	S	30.9	Very low	30.1	Very low	100 Å²	100	149.6 Å²	149.6	70%	0.699	82%	0.823	S	S	*	*			trans	-48.3	144.8	171	47	0	0	0	0	112.3	D427	S425-D427 PolarHBondContact O-N 3.2Å
426	D	32	Very low	30.4	Very low	160 Å²	160	145 Å²	145	86%	0.856	82%	0.817	S	S	*	*			trans	-59.5	109.5	173.9	-60.5	-58.6	0	0	0	111.5	E428	D426-E428 PolarHBondContact O-N 3.41Å
427	D	33.2	Very low	30.5	Very low	151 Å²	151	146.1 Å²	146.1	81%	0.807	82%	0.818	S	S	*	*			trans	-85.4	97.1	167.6	-77.1	-33.4	0	0	0	109.1	S425 M429	S425-D427 PolarHBondContact O-N 3.2Å; D427-M429 PolarHBondContact O-N 3.35Å
428	E	29.8	Very low	30.7	Very low	190 Å²	190	143.9 Å²	143.9	89%	0.888	82%	0.815	S	S	*	*			trans	-61.1	108	166.9	-76.3	-175.4	144.1	0	0	110.4	D426 A430	D426-E428 PolarHBondContact O-N 3.41Å; E428-A430 PolarHBondContact O-N 3.22Å
429	M	30.4	Very low	30.9	Very low	186 Å²	186	143.4 Å²	143.4	92%	0.916	82%	0.818	S	S	*	*			trans	-76.7	103.6	167.1	-80.5	-167.2	-164.5	0	0	110.2	D427 S431	D427-M429 PolarHBondContact O-N 3.35Å; M429-S431 PolarHBondContact O-N 3.41Å
430	A	30.1	Very low	30.9	Very low	94 Å²	94	146.2 Å²	146.2	78%	0.777	82%	0.821	S	S	*	*			trans	-61.3	120.7	166.7	0	0	0	0	0	111.5	E428 K432	E428-A430 PolarHBondContact O-N 3.22Å; A430-K432 PolarHBondContact O-N 2.83Å
431	S	28.5	Very low	31.1	Very low	113 Å²	113	146.8 Å²	146.8	79%	0.79	82%	0.824	S	S	*	*			trans	-69.7	108.1	168	40.1	0	0	0	0	110.3	M429	M429-S431 PolarHBondContact O-N 3.41Å
432	K	31.6	Very low	31.3	Very low	194 Å²	194	146.5 Å²	146.5	84%	0.843	82%	0.819	S	S	*	*			trans	-83.1	111.2	167.7	-88.5	-178.7	173.9	178.4	0	109.8	A430 L434	A430-K432 PolarHBondContact O-N 2.83Å; K432-L434 PolarHBondContact O-N 3.07Å
433	N	27.7	Very low	31.4	Very low	158 Å²	158	145.8 Å²	145.8	85%	0.845	83%	0.827	S	S	*	*			trans	-61.4	116.7	162.2	-77.5	-22.1	0	0	0	109
434	L	31.6	Very low	31.5	Very low	156 Å²	156	142.1 Å²	142.1	82%	0.817	82%	0.82	S	S	*	*			trans	-97.5	110.2	164.7	-84.2	150	0	0	0	106.3	K432 D436	K432-L434 PolarHBondContact O-N 3.07Å; L434-D436 PolarHBondContact O-N 3.4Å
435	N	30.1	Very low	31.6	Very low	156 Å²	156	145.9 Å²	145.9	83%	0.834	83%	0.825	S	S	*	*			trans	-73.4	116.5	167.5	-83.3	-11.4	0	0	0	107.7	H437	N435-H437 PolarHBondContact O-N 2.84Å
436	D	33.4	Very low	31.9	Very low	148 Å²	148	150.4 Å²	150.4	79%	0.791	84%	0.835	S	S	*	*			trans	-68.9	120.7	168.2	-70	-40.2	0	0	0	108.7	L434	L434-D436 PolarHBondContact O-N 3.4Å
437	H	32.6	Very low	32	Very low	189 Å²	189	148.1 Å²	148.1	88%	0.875	83%	0.832	S	S	*	*			trans	-92.3	105.7	173	-129.5	-52	0	0	0	107	N435 G439	N435-H437 PolarHBondContact O-N 2.84Å; H437-G439 PolarHBondContact O-N 3.44Å; H437-G439 VanDerWaalsContact O-N 3.12Å
438	D	33.9	Very low	32	Very low	153 Å²	153	146.1 Å²	146.1	82%	0.818	83%	0.829	S	S	*	*			trans	-63	106.3	173.7	-73.2	-44.1	0	0	0	110.1
439	G	32.1	Very low	32.3	Very low	75 Å²	75	141.9 Å²	141.9	77%	0.773	82%	0.821	S	S	*	*			trans	-87.2	110.2	168.2	0	0	0	0	0	109.8	H437 D441	H437-G439 PolarHBondContact O-N 3.44Å; H437-G439 VanDerWaalsContact O-N 3.12Å; G439-D441 PolarHBondContact O-N 2.96Å
440	Q	32.1	Very low	32.7	Very low	186 Å²	186	139.9 Å²	139.9	87%	0.869	81%	0.814	S	S	*	*			trans	-70.9	111.4	168.3	-74.9	173.9	-20.2	0	0	109.1
441	D	33	Very low	33.4	Very low	163 Å²	163	143 Å²	143	87%	0.872	82%	0.818	S	S	*	*			trans	-92.3	106.4	172.4	-152.8	3.3	0	0	0	108.4	G439 G443	G439-D441 PolarHBondContact O-N 2.96Å; D441-G443 PolarHBondContact O-N 3.33Å
442	T	33.8	Very low	33.7	Very low	124 Å²	124	142.5 Å²	142.5	76%	0.761	81%	0.814	S	S	*	*			trans	-79.9	107.4	177.5	49.5	0	0	0	0	109	A444	T442-A444 PolarHBondContact O-N 3.35Å
443	G	31.7	Very low	34.2	Very low	77 Å²	77	144.9 Å²	144.9	79%	0.794	84%	0.836	S	S	*	*			trans	-63.4	115.6	170.9	0	0	0	0	0	110.8	D441	D441-G443 PolarHBondContact O-N 3.33Å
444	A	32.6	Very low	34.5	Very low	95 Å²	95	144.2 Å²	144.2	79%	0.785	84%	0.835	S	S	*	*			trans	-83.5	126.2	169.6	0	0	0	0	0	109.3	T442 E446	T442-A444 PolarHBondContact O-N 3.35Å; A444-E446 PolarHBondContact O-N 3.19Å
445	E	32.8	Very low	34.7	Very low	196 Å²	196	143.6 Å²	143.6	92%	0.916	84%	0.836	S	S	*	*			trans	-69.1	113.9	172.2	-65.3	173.4	153.4	0	0	109.3
446	E	37.1	Very low	34.9	Very low	194 Å²	194	142.9 Å²	142.9	91%	0.907	84%	0.836	S	S	*	*			trans	-92.3	112.4	164.8	-83.5	-175.8	166.3	0	0	109.1	A444	A444-E446 PolarHBondContact O-N 3.19Å
447	S	34.6	Very low	35	Very low	112 Å²	112	142.6 Å²	142.6	78%	0.783	84%	0.839	S	S	*	*			trans	-64.1	133.4	179.6	50.8	0	0	0	0	112.7	S449	S447-S449 PolarHBondContact O-N 3.12Å
448	S	33.3	Very low	35.1	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	84%	0.837	S	S	*	*			trans	-61.4	121.5	162.4	50.8	0	0	0	0	111.2
449	S	36.5	Very low	35.2	Very low	102 Å²	102	138.8 Å²	138.8	71%	0.713	84%	0.838	S	S	*	*			trans	-102.4	110	161.8	54.2	0	0	0	0	108.7	S447 D451	S447-S449 PolarHBondContact O-N 3.12Å; S449-D451 PolarHBondContact O-N 3.09Å
450	D	38.1	Very low	35.5	Very low	144 Å²	144	143.4 Å²	143.4	77%	0.77	84%	0.843	S	S	*	*			trans	-65.8	112.7	164.6	-71.7	-44.5	0	0	0	109
451	D	44.3	Very low	35.7	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	84%	0.841	S	S	*	*			trans	-104	101.5	160.8	-81	-31.2	0	0	0	108	S449	S449-D451 PolarHBondContact O-N 3.09Å
452	S	34.5	Very low	35.9	Very low	101 Å²	101	138.2 Å²	138.2	71%	0.706	84%	0.838	S	S	*	*			trans	-97	114.6	165.3	-47.6	0	0	0	0	106.8
453	D	42.1	Very low	36.1	Very low	244 Å²	244	139.5 Å²	139.5	100%	1.305	85%	0.845	S	S	*	*			trans	-175.9	0	143.9	-92.5	-18.1	0	0	0	110.7

Retrieved 453 of 453 residues in 727.4 ms (Link to these results)

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