A0A2K5MZQ8_CERAT Loading...

Serine/threonine-protein kinase

Proto-oncogene with serine/threonine kinase activity involved in cell survival and cell proliferation.

AlphaFold DB , UniProt , Accession A0A2K5MZQ8, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PIM2, Length 311 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	43.3	Very low	45.8	Very low	246 Å²	246	148.7 Å²	148.7	100%	1.212	85%	0.851	S	S	*	*				0	102.7	0	-71	-177.9	-177.5	0	0	108
2	L	41.7	Very low	44.8	Very low	177 Å²	177	145.3 Å²	145.3	93%	0.927	84%	0.838	S	S	*	*			trans	-144.5	101.4	171.8	-96.8	158.7	0	0	0	105.7	K4	L2-K4 PolarHBondContact O-N 3.42Å
3	T	43.9	Very low	45.1	Very low	141 Å²	141	143.9 Å²	143.9	87%	0.865	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-69.1	117.4	-176.9	43.1	0	0	0	0	109.7
4	K	44.2	Very low	44.9	Very low	192 Å²	192	141.4 Å²	141.4	84%	0.835	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-62	140.8	165.5	-78.8	-178.7	174.7	-179.6	0	108.8	L2 L6	L2-K4 PolarHBondContact O-N 3.42Å; K4-L6 PolarHBondContact O-N 3.2Å
5	P	43.3	Very low	44.7	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-61.5	135.2	173.6	-7.4	19.6	0	0	0	109.3	Q7	P5-Q7 PolarHBondContact O-N 3.13Å; P5-Q7 VanDerWaalsContact O-N 3.13Å
6	L	49.9	Very low	45.3	Very low	173 Å²	173	135.7 Å²	135.7	91%	0.906	80%	0.796	S	S	*	*			trans	-54.6	115.2	168.9	-79.1	147.4	0	0	0	108.5	K4 G8	K4-L6 PolarHBondContact O-N 3.2Å; L6-G8 PolarHBondContact O-N 3.42Å
7	Q	49.5	Very low	46.3	Very low	192 Å²	192	133.6 Å²	133.6	90%	0.897	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-58.6	119.8	162.6	-80.2	173.3	-19.3	0	0	106.9	P5	P5-Q7 PolarHBondContact O-N 3.13Å; P5-Q7 VanDerWaalsContact O-N 3.13Å
8	G	52.3	Low	47.6	Very low	56 Å²	56	129.9 Å²	129.9	58%	0.577	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-57.2	156.5	167.3	0	0	0	0	0	110	L6	L6-G8 PolarHBondContact O-N 3.42Å
9	P	47.2	Very low	48.5	Very low	125 Å²	125	123.2 Å²	123.2	81%	0.812	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-60.9	137.6	-180	27.3	-32	0	0	0	108.9	A11	P9-A11 PolarHBondContact O-N 3.36Å
10	P	45.7	Very low	49.1	Very low	125 Å²	125	121.3 Å²	121.3	81%	0.812	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-60	131.9	170	24.2	-30.4	0	0	0	109.2
11	A	42.8	Very low	49.4	Very low	89 Å²	89	117 Å²	117	74%	0.736	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-67	146.8	169.3	0	0	0	0	0	109.8	P9	P9-A11 PolarHBondContact O-N 3.36Å
12	P	34.3	Very low	50.6	Low	108 Å²	108	106.6 Å²	106.6	70%	0.701	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-78	131.8	-163.1	32	-33.5	0	0	0	111.4	V14	P12-V14 HydrophobicContact CB-CG2 4.22Å; P12-V14 PolarHBondContact O-N 3.43Å
13	P	48.6	Very low	52.8	Low	127 Å²	127	101.3 Å²	101.3	83%	0.825	62%	0.624	S	S	*	*			trans	-90.3	92.8	167.6	31.7	-26.7	0	0	0	110
14	V	42	Very low	55	Low	109 Å²	109	98.8 Å²	98.8	66%	0.661	61%	0.605	S	S	*	*			trans	-155.4	136.4	177.1	-144.6	0	0	0	0	106.8	P12	P12-V14 HydrophobicContact CB-CG2 4.22Å; P12-V14 PolarHBondContact O-N 3.43Å
15	T	42.1	Very low	57.3	Low	122 Å²	122	95.8 Å²	95.8	75%	0.748	59%	0.589	S	S	*	*			cis	-150.2	112.7	44.8	49	0	0	0	0	113.8
16	P	54.9	Low	59.6	Low	69 Å²	69	97.4 Å²	97.4	45%	0.448	59%	0.586	S	S	.	*			trans	-90.2	113.4	157.3	30.8	-23.6	0	0	0	110
17	T	60.9	Low	61.8	Low	101 Å²	101	90.3 Å²	90.3	62%	0.62	55%	0.553	S	S	*	*			trans	-175.8	108.4	151.8	30.1	0	0	0	0	107.8	W88	T17-W88 HydrophobicContact CG2-CH2 3.62Å; T17-W88 HydrophobicContact CG2-CZ3 4.37Å
18	P	70.1	Confident	63.9	Low	67 Å²	67	81.7 Å²	81.7	44%	0.435	51%	0.512	S	S	.	.				-153.4	103.2	125.7	34.3	-14.1	0	0	0	114	L103	P18-L103 WeakPolarHBondContact CD-O 3.36Å
19	P	64.8	Low	66	Low	2 Å²	2	84 Å²	84	1%	0.013	51%	0.508	C	S	.	.			trans	-140.2	98.6	136.1	8.5	14.2	0	0	0	109.5	L74 W88 L102	P19-L74 HydrophobicContact CB-CD2 4.14Å; P19-W88 HydrophobicContact CB-CD2 4.21Å; P19-W88 HydrophobicContact CB-CE3 4.37Å; P19-W88 HydrophobicContact CB-CG 4.36Å; P19-W88 VanDerWaalsContact CD-CD2 3.41Å; P19-W88 HydrophobicContact CG-CB 4.15Å; P19-W88 HydrophobicContact CG-CD2 3.46Å; P19-W88 VanDerWaalsContact CG-CD2 3.46Å; P19-W88 HydrophobicContact CG-CE3 3.2Å; P19-W88 HydrophobicContact CG-CG 3.93Å; P19-W88 HydrophobicContact CG-CH2 4.3Å; P19-W88 HydrophobicContact CG-CZ3 3.7Å; P19-W88 VanDerWaalsContact O-CE2 3.24Å; P19-W88 PolarHBondContact O-NE1 3.44Å; P19-L102 HydrophobicContact CB-CD2 4.33Å; P19-L102 HydrophobicContact CG-CD2 3.95Å
20	P	60.3	Low	68.3	Low	85 Å²	85	81.6 Å²	81.6	55%	0.552	50%	0.499	S	S	*	.	S	Bend		-130.5	154.3	113	13.7	5.4	0	0	0	111.8	L74 V78	P20-L74 HydrophobicContact CB-CD2 4.34Å; P20-V78 HydrophobicContact CB-CG2 4.49Å
21	G	56.7	Low	70.7	Confident	30 Å²	30	78.7 Å²	78.7	31%	0.309	47%	0.474	S	S	.	.	S	Bend	trans	86.1	140.4	-166.4	0	0	0	0	0	111.4	W105	G21-W105 VanDerWaalsContact O-CZ2 3.31Å; G21-W105 WeakPolarHBondContact O-CZ2 3.47Å; G21-W105 PolarHBondContact O-NE1 2.95Å
22	G	66.6	Low	73.4	Confident	28 Å²	28	74.9 Å²	74.9	29%	0.289	44%	0.441	S	S	.	.			trans	-108.5	112.9	170.2	0	0	0	0	0	107.5	W105	G22-W105 VanDerWaalsContact N-CZ2 3.29Å
23	K	88.1	Confident	76.4	Confident	66 Å²	66	76.6 Å²	76.6	29%	0.287	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-70.3	154	-179.5	-76.6	179.3	-72.6	-177.5	0	110	A27 E31 D104 W105 F106 E107	K23-A27 HydrophobicContact CB-CB 3.8Å; K23-A27 HydrophobicContact CD-CB 4.31Å; K23-A27 HydrophobicContact CG-CB 4.36Å; K23-E31 IonicContact NZ-OE1 2.55Å; K23-E31 PolarHBondContact NZ-OE1 3.13Å; K23-E31 IonicContact NZ-OE2 3.45Å; K23-E31 PolarHBondContact NZ-OE2 3.17Å; K23-D104 WeakPolarHBondContact CE-OD1 3.45Å; K23-D104 VanDerWaalsContact CE-OD2 3.3Å; K23-D104 WeakPolarHBondContact CE-OD2 3.41Å; K23-D104 IonicContact NZ-OD1 3.43Å; K23-D104 PolarHBondContact NZ-OD1 2.96Å; K23-D104 IonicContact NZ-OD2 3.61Å; K23-D104 PolarHBondContact NZ-OD2 3.42Å; K23-W105 PolarHBondContact N-O 2.94Å; K23-F106 HydrophobicContact CB-CD1 3.3Å; K23-F106 HydrophobicContact CB-CE1 3.42Å; K23-F106 VanDerWaalsContact CB-CE1 3.42Å; K23-F106 HydrophobicContact CB-CG 4.31Å; K23-F106 HydrophobicContact CB-CZ 4.49Å; K23-F106 HydrophobicContact CD-CE1 4.03Å; K23-F106 HydrophobicContact CG-CE1 4.32Å; K23-F106 CarbonylContact O-C 3.56Å; K23-F106 WeakPolarHBondContact O-CA 3.46Å; K23-F106 VanDerWaalsContact O-CB 3.28Å; K23-F106 WeakPolarHBondContact O-CB 3.44Å; K23-E107 PolarHBondContact O-N 2.81Å
24	D	91.6	Very high	78.7	Confident	88 Å²	88	74.2 Å²	74.2	47%	0.471	41%	0.413	S	S	.	.			trans	-77.3	179.1	179.4	66.7	24.7	0	0	0	112.3	E26 A27 F28 F106	D24-E26 VanDerWaalsContact C-N 3.34Å; D24-E26 PolarHBondContact O-N 3.42Å; D24-E26 PolarHBondContact OD1-N 3.09Å; D24-A27 PolarHBondContact O-N 3.16Å; D24-A27 WeakPolarHBondContact OD1-CB 3.14Å; D24-A27 PolarHBondContact OD1-N 3.09Å; D24-F28 PolarHBondContact O-N 2.88Å; D24-F106 WeakPolarHBondContact O-CD1 3.33Å
25	R	91.4	Very high	81.3	Confident	129 Å²	129	70.5 Å²	70.5	49%	0.487	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-36	179.3	-178	172.9	174.9	163.1	-0.1	113.2	A27 F28 E29 T108	R25-A27 VanDerWaalsContact C-N 3.32Å; R25-F28 WeakPolarHBondContact O-CB 3.22Å; R25-F28 PolarHBondContact O-N 2.65Å; R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 IonicContact CZ-OE1 3.92Å; R25-E29 IonicContact NE-OE1 3.29Å; R25-E29 PolarHBondContact NE-OE1 3.14Å; R25-E29 IonicContact NH2-OE1 3.45Å; R25-E29 PolarHBondContact NH2-OE1 3.17Å; R25-E29 WeakPolarHBondContact O-CG 3.48Å; R25-E29 PolarHBondContact O-N 3.4Å; R25-T108 HydrophobicContact CB-CG2 4.13Å
26	E	93	Very high	84	Confident	154 Å²	154	69.2 Å²	69.2	72%	0.72	39%	0.391	S	S	*	.	H	α-helix	trans	-64.9	-41.5	179.1	-65.9	-175.4	-179.7	0	0	110.3	D24 E29 A30	D24-E26 VanDerWaalsContact C-N 3.34Å; D24-E26 PolarHBondContact O-N 3.42Å; D24-E26 PolarHBondContact OD1-N 3.09Å; E26-E29 PolarHBondContact O-N 2.92Å; E26-A30 WeakPolarHBondContact O-CB 3.44Å; E26-A30 PolarHBondContact O-N 2.89Å
27	A	94.5	Very high	86	Confident	25 Å²	25	70.7 Å²	70.7	21%	0.207	39%	0.394	C	S	.	.	H	α-helix	trans	-63	-39.9	173.1	0	0	0	0	0	112.4	K23 D24 R25 A30 E31 F106	K23-A27 HydrophobicContact CB-CB 3.8Å; K23-A27 HydrophobicContact CD-CB 4.31Å; K23-A27 HydrophobicContact CG-CB 4.36Å; D24-A27 PolarHBondContact O-N 3.16Å; D24-A27 WeakPolarHBondContact OD1-CB 3.14Å; D24-A27 PolarHBondContact OD1-N 3.09Å; R25-A27 VanDerWaalsContact C-N 3.32Å; A27-A30 PolarHBondContact O-N 3.5Å; A27-E31 WeakPolarHBondContact O-CG 3.17Å; A27-E31 PolarHBondContact O-N 2.82Å; A27-F106 HydrophobicContact CB-CE1 4.24Å
28	F	94.7	Very high	87.6	Confident	11 Å²	11	70.2 Å²	70.2	5%	0.048	39%	0.388	C	S	.	.	H	α-helix	trans	-58.7	-49.9	173.2	170.4	-97.3	0	0	0	111.4	D24 R25 A30 E31 Y32 L34 I60 F106 M113	D24-F28 PolarHBondContact O-N 2.88Å; R25-F28 WeakPolarHBondContact O-CB 3.22Å; R25-F28 PolarHBondContact O-N 2.65Å; F28-A30 PolarHBondContact O-N 2.91Å; F28-E31 PolarHBondContact O-N 2.82Å; F28-E31 VanDerWaalsContact O-N 3.13Å; F28-Y32 HydrophobicContact CD2-CD2 4.19Å; F28-Y32 HydrophobicContact CD2-CG 4.46Å; F28-Y32 HydrophobicContact CE2-CD2 4.42Å; F28-Y32 HydrophobicContact CE2-CG 4.25Å; F28-Y32 PolarHBondContact O-N 2.98Å; F28-L34 HydrophobicContact CZ-CB 4.41Å; F28-L34 HydrophobicContact CZ-CD1 4.42Å; F28-I60 HydrophobicContact CE2-CD1 3.89Å; F28-I60 HydrophobicContact CE2-CG2 4.26Å; F28-I60 HydrophobicContact CZ-CD1 3.8Å; F28-I60 HydrophobicContact CZ-CG2 4.46Å; F28-F106 HydrophobicContact CB-CB 4.44Å; F28-F106 HydrophobicContact CB-CD1 3.53Å; F28-F106 HydrophobicContact CB-CD2 4.28Å; F28-F106 HydrophobicContact CB-CE1 3.78Å; F28-F106 HydrophobicContact CB-CE2 4.49Å; F28-F106 HydrophobicContact CB-CG 3.82Å; F28-F106 HydrophobicContact CB-CZ 4.27Å; F28-F106 AromaticContact CD2-CD2 3.84Å; F28-F106 HydrophobicContact CD2-CD2 3.84Å; F28-F106 AromaticContact CD2-CE2 3.91Å; F28-F106 HydrophobicContact CD2-CE2 3.91Å; F28-F106 HydrophobicContact CD2-CG 4.22Å; F28-F106 HydrophobicContact CD2-CZ 4.32Å; F28-F106 HydrophobicContact CG-CG 4.46Å; F28-F106 VanDerWaalsContact N-CE1 3.34Å; F28-M113 HydrophobicContact CD1-CE 3.92Å; F28-M113 HydrophobicContact CD1-SD 4.21Å; F28-M113 HydrophobicContact CD2-CE 3.99Å; F28-M113 HydrophobicContact CD2-SD 4.37Å; F28-M113 HydrophobicContact CE1-CE 3.56Å; F28-M113 HydrophobicContact CE1-SD 4.44Å; F28-M113 HydrophobicContact CE2-CE 3.62Å; F28-M113 HydrophobicContact CG-CE 4.13Å; F28-M113 HydrophobicContact CG-SD 4.19Å; F28-M113 HydrophobicContact CZ-CE 3.41Å; F28-M113 VanDerWaalsContact CZ-CE 3.41Å
29	E	95	Very high	88.6	Confident	104 Å²	104	68.5 Å²	68.5	49%	0.486	38%	0.382	S	S	.	.	H	α-helix	trans	-67.2	-24.6	-177.9	-68.1	176.8	-176.9	0	0	112.5	R25 E26	R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 IonicContact CZ-OE1 3.92Å; R25-E29 IonicContact NE-OE1 3.29Å; R25-E29 PolarHBondContact NE-OE1 3.14Å; R25-E29 IonicContact NH2-OE1 3.45Å; R25-E29 PolarHBondContact NH2-OE1 3.17Å; R25-E29 WeakPolarHBondContact O-CG 3.48Å; R25-E29 PolarHBondContact O-N 3.4Å; E26-E29 PolarHBondContact O-N 2.92Å
30	A	96.4	Very high	89.7	Confident	75 Å²	75	76 Å²	76	62%	0.62	41%	0.414	S	S	*	.	H	α-helix	trans	-76.7	-25.7	173.5	0	0	0	0	0	113.9	E26 A27 F28	E26-A30 WeakPolarHBondContact O-CB 3.44Å; E26-A30 PolarHBondContact O-N 2.89Å; A27-A30 PolarHBondContact O-N 3.5Å; F28-A30 PolarHBondContact O-N 2.91Å
31	E	96.8	Very high	90.6	Very high	64 Å²	64	74 Å²	74	30%	0.299	41%	0.409	S	S	.	.	H	α-helix	trans	-108.3	-30.8	-174.2	-69.3	-177.1	-142.2	0	0	113.7	K23 A27 F28 L52	K23-E31 IonicContact NZ-OE1 2.55Å; K23-E31 PolarHBondContact NZ-OE1 3.13Å; K23-E31 IonicContact NZ-OE2 3.45Å; K23-E31 PolarHBondContact NZ-OE2 3.17Å; A27-E31 WeakPolarHBondContact O-CG 3.17Å; A27-E31 PolarHBondContact O-N 2.82Å; F28-E31 PolarHBondContact O-N 2.82Å; F28-E31 VanDerWaalsContact O-N 3.13Å; E31-L52 PolarHBondContact O-N 3.43Å
32	Y	97.9	Very high	91.6	Very high	9 Å²	9	75.3 Å²	75.3	4%	0.035	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155	-171.8	-60.9	-85.4	0	0	0	111.8	F28 H50 R51 V58 D104 F106 V115	F28-Y32 HydrophobicContact CD2-CD2 4.19Å; F28-Y32 HydrophobicContact CD2-CG 4.46Å; F28-Y32 HydrophobicContact CE2-CD2 4.42Å; F28-Y32 HydrophobicContact CE2-CG 4.25Å; F28-Y32 PolarHBondContact O-N 2.98Å; Y32-H50 WeakPolarHBondContact CA-O 3.41Å; Y32-R51 HydrophobicContact CD1-CB 3.83Å; Y32-R51 HydrophobicContact CD1-CG 4.19Å; Y32-R51 HydrophobicContact CE1-CB 3.64Å; Y32-R51 HydrophobicContact CE1-CG 3.78Å; Y32-V58 HydrophobicContact CD1-CG2 4.14Å; Y32-V58 HydrophobicContact CE1-CG1 4.46Å; Y32-D104 HydrophobicContact CE2-CB 4.38Å; Y32-D104 PolarHBondContact OH-OD2 2.97Å; Y32-F106 AromaticContact CD2-CE2 3.92Å; Y32-F106 HydrophobicContact CD2-CE2 3.92Å; Y32-F106 AromaticContact CD2-CZ 3.79Å; Y32-F106 HydrophobicContact CD2-CZ 3.79Å; Y32-F106 AromaticContact CE2-CE2 3.81Å; Y32-F106 HydrophobicContact CE2-CE2 3.81Å; Y32-F106 AromaticContact CE2-CZ 3.66Å; Y32-F106 HydrophobicContact CE2-CZ 3.66Å; Y32-V115 HydrophobicContact CD1-CG1 4.09Å; Y32-V115 HydrophobicContact CD1-CG2 4.5Å; Y32-V115 HydrophobicContact CD2-CG2 4.26Å; Y32-V115 HydrophobicContact CE1-CG1 3.6Å; Y32-V115 HydrophobicContact CE1-CG2 4.4Å; Y32-V115 HydrophobicContact CE2-CG2 4.18Å; Y32-V115 HydrophobicContact CG-CG2 4.44Å
33	R	97.9	Very high	92.1	Very high	143 Å²	143	76.2 Å²	76.2	54%	0.54	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.3	169.7	-174.2	166.3	-65.3	177.5	-0.4	110.2	G49 H50 L52	R33-G49 CarbonylContact O-C 3.56Å; R33-G49 WeakPolarHBondContact O-CA 3.13Å; R33-H50 PolarHBondContact N-O 3.06Å; R33-H50 PolarHBondContact O-N 2.95Å; R33-L52 HydrophobicContact CB-CD2 3.97Å
34	L	97.1	Very high	92.1	Very high	78 Å²	78	73.2 Å²	73.2	41%	0.408	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	142.4	172.3	-161.4	71.3	0	0	0	110.4	F28 F47 I60 M113	F28-L34 HydrophobicContact CZ-CB 4.41Å; F28-L34 HydrophobicContact CZ-CD1 4.42Å; L34-F47 HydrophobicContact CD1-CB 3.56Å; L34-F47 HydrophobicContact CD1-CD2 4.1Å; L34-F47 HydrophobicContact CD1-CG 3.85Å; L34-F47 HydrophobicContact CD2-CD1 4.49Å; L34-F47 HydrophobicContact CD2-CG 4.42Å; L34-F47 HydrophobicContact CG-CB 4.13Å; L34-F47 HydrophobicContact CG-CD1 4.49Å; L34-F47 HydrophobicContact CG-CG 4.22Å; L34-I60 HydrophobicContact CD1-CB 3.99Å; L34-I60 HydrophobicContact CD1-CD1 3.77Å; L34-I60 HydrophobicContact CD1-CG2 3.89Å; L34-M113 HydrophobicContact CD1-CE 4.44Å
35	G	97.6	Very high	92.3	Very high	30 Å²	30	70.3 Å²	70.3	31%	0.309	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-159.4	-179.2	0	0	0	0	0	112.3	A48	G35-A48 WeakPolarHBondContact CA-O 3.4Å; G35-A48 PolarHBondContact N-O 3.31Å
36	P	97.6	Very high	92.5	Very high	96 Å²	96	66.1 Å²	66.1	62%	0.623	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	157.7	-178.6	27.1	-35.5	0	0	0	112.7	F47 A48	P36-F47 CarbonylContact O-C 3.53Å; P36-F47 WeakPolarHBondContact O-CA 3.49Å; P36-A48 HydrophobicContact CG-CB 4.16Å; P36-A48 PolarHBondContact O-N 3.34Å
37	L	96.8	Very high	92.8	Very high	99 Å²	99	61.1 Å²	61.1	52%	0.518	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133.2	172.4	-179.3	68.4	0	0	0	110.4	G39 T45 F47	L37-G39 WeakPolarHBondContact CD1-O 3.25Å; L37-T45 HydrophobicContact CD1-CG2 3.27Å; L37-F47 HydrophobicContact CB-CD1 4.32Å; L37-F47 HydrophobicContact CB-CE1 4.31Å; L37-F47 HydrophobicContact CD1-CD1 4.34Å; L37-F47 HydrophobicContact CD1-CE1 4.05Å; L37-F47 HydrophobicContact CD1-CZ 4.29Å
38	L	94.2	Very high	92.9	Very high	92 Å²	92	60.2 Å²	60.2	48%	0.482	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-41.9	170.6	-66.5	175.1	0	0	0	111.2	V46 A48 A59	L38-V46 HydrophobicContact CB-CG1 4.39Å; L38-V46 HydrophobicContact CD1-CG1 4.33Å; L38-V46 PolarHBondContact N-O 3.31Å; L38-A48 HydrophobicContact CD1-CB 4.05Å; L38-A48 HydrophobicContact CD2-CB 4.1Å; L38-A48 HydrophobicContact CG-CB 4.03Å; L38-A59 HydrophobicContact CD1-CB 4.47Å
39	G	91.1	Very high	93.1	Very high	31 Å²	31	59.8 Å²	59.8	32%	0.32	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	162.9	-178.1	0	0	0	0	0	112.9	L37 V46	L37-G39 WeakPolarHBondContact CD1-O 3.25Å; G39-V46 PolarHBondContact N-O 2.8Å; G39-V46 VanDerWaalsContact N-O 3.15Å; G39-V46 PolarHBondContact O-N 3Å
40	K	88.8	Confident	93.3	Very high	158 Å²	158	56.5 Å²	56.5	69%	0.687	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	130.6	179	-176.3	179.7	-179.7	-176.6	0	109.8	T45	K40-T45 HydrophobicContact CB-CG2 4.37Å; K40-T45 HydrophobicContact CG-CG2 4.42Å
41	G	80.2	Confident	93.3	Very high	44 Å²	44	56.3 Å²	56.3	45%	0.454	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	-165.3	-178.8	0	0	0	0	0	113.3	F43 G44	G41-F43 VanDerWaalsContact C-N 3.29Å; G41-F43 PolarHBondContact O-N 2.78Å; G41-G44 PolarHBondContact N-O 2.72Å; G41-G44 PolarHBondContact O-N 3.46Å
42	G	75.8	Confident	93.4	Very high	58 Å²	58	55.7 Å²	55.7	60%	0.598	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-40.6	177.4	0	0	0	0	0	112.5	G44	G42-G44 VanDerWaalsContact C-N 3.34Å; G42-G44 PolarHBondContact O-N 2.76Å
43	F	77.1	Confident	93.3	Very high	46 Å²	46	61 Å²	61	20%	0.202	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.1	-173	-50.4	-67.8	0	0	0	114.7	G41 K61 L69 D182 S185	G41-F43 VanDerWaalsContact C-N 3.29Å; G41-F43 PolarHBondContact O-N 2.78Å; F43-K61 WeakPolarHBondContact O-CE 3.44Å; F43-L69 HydrophobicContact CD1-CD1 4.39Å; F43-L69 HydrophobicContact CE1-CD1 4.14Å; F43-D182 WeakPolarHBondContact CD2-OD2 3.36Å; F43-S185 WeakPolarHBondContact CE1-OG 3.4Å; F43-S185 WeakPolarHBondContact CZ-OG 3.48Å
44	G	88.9	Confident	93.3	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.5	-162.1	175.6	0	0	0	0	0	114	G41 G42 V62	G41-G44 PolarHBondContact N-O 2.72Å; G41-G44 PolarHBondContact O-N 3.46Å; G42-G44 VanDerWaalsContact C-N 3.34Å; G42-G44 PolarHBondContact O-N 2.76Å; G44-V62 VanDerWaalsContact CA-O 3.29Å; G44-V62 WeakPolarHBondContact CA-O 3.21Å
45	T	95.1	Very high	93.3	Very high	28 Å²	28	61.5 Å²	61.5	17%	0.172	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128	177.6	-51.9	0	0	0	0	109	L37 K40 F47 V62	L37-T45 HydrophobicContact CD1-CG2 3.27Å; K40-T45 HydrophobicContact CB-CG2 4.37Å; K40-T45 HydrophobicContact CG-CG2 4.42Å; T45-F47 HydrophobicContact CG2-CD2 4.26Å; T45-F47 HydrophobicContact CG2-CE1 4.37Å; T45-F47 HydrophobicContact CG2-CE2 3.45Å; T45-F47 VanDerWaalsContact CG2-CE2 3.45Å; T45-F47 HydrophobicContact CG2-CZ 3.51Å; T45-V62 PolarHBondContact N-O 3Å; T45-V62 PolarHBondContact O-N 3.16Å
46	V	97.1	Very high	93.2	Very high	40 Å²	40	63.4 Å²	63.4	24%	0.242	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.5	-176.1	-173.3	0	0	0	0	109.5	L38 G39 A59 I60 K61	L38-V46 HydrophobicContact CB-CG1 4.39Å; L38-V46 HydrophobicContact CD1-CG1 4.33Å; L38-V46 PolarHBondContact N-O 3.31Å; G39-V46 PolarHBondContact N-O 2.8Å; G39-V46 VanDerWaalsContact N-O 3.15Å; G39-V46 PolarHBondContact O-N 3Å; V46-A59 HydrophobicContact CG1-CB 4.1Å; V46-I60 WeakPolarHBondContact CA-O 3.35Å; V46-K61 HydrophobicContact CG2-CB 4.19Å; V46-K61 HydrophobicContact CG2-CG 4.05Å
47	F	97.8	Very high	93.3	Very high	49 Å²	49	62.3 Å²	62.3	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	152.5	176.6	-60.8	-93.6	0	0	0	110.3	L34 P36 L37 T45 A59 I60 V62	L34-F47 HydrophobicContact CD1-CB 3.56Å; L34-F47 HydrophobicContact CD1-CD2 4.1Å; L34-F47 HydrophobicContact CD1-CG 3.85Å; L34-F47 HydrophobicContact CD2-CD1 4.49Å; L34-F47 HydrophobicContact CD2-CG 4.42Å; L34-F47 HydrophobicContact CG-CB 4.13Å; L34-F47 HydrophobicContact CG-CD1 4.49Å; L34-F47 HydrophobicContact CG-CG 4.22Å; P36-F47 CarbonylContact O-C 3.53Å; P36-F47 WeakPolarHBondContact O-CA 3.49Å; L37-F47 HydrophobicContact CB-CD1 4.32Å; L37-F47 HydrophobicContact CB-CE1 4.31Å; L37-F47 HydrophobicContact CD1-CD1 4.34Å; L37-F47 HydrophobicContact CD1-CE1 4.05Å; L37-F47 HydrophobicContact CD1-CZ 4.29Å; T45-F47 HydrophobicContact CG2-CD2 4.26Å; T45-F47 HydrophobicContact CG2-CE1 4.37Å; T45-F47 HydrophobicContact CG2-CE2 3.45Å; T45-F47 VanDerWaalsContact CG2-CE2 3.45Å; T45-F47 HydrophobicContact CG2-CZ 3.51Å; F47-A59 CarbonylContact O-C 3.59Å; F47-A59 WeakPolarHBondContact O-CA 3.28Å; F47-I60 PolarHBondContact N-O 3.18Å; F47-I60 PolarHBondContact O-N 3.22Å; F47-V62 HydrophobicContact CD2-CG2 4.04Å; F47-V62 HydrophobicContact CE2-CG2 4Å
48	A	98.2	Very high	93.3	Very high	7 Å²	7	57.6 Å²	57.6	6%	0.058	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	157.4	161	0	0	0	0	0	108.9	G35 P36 L38	G35-A48 WeakPolarHBondContact CA-O 3.4Å; G35-A48 PolarHBondContact N-O 3.31Å; P36-A48 HydrophobicContact CG-CB 4.16Å; P36-A48 PolarHBondContact O-N 3.34Å; L38-A48 HydrophobicContact CD1-CB 4.05Å; L38-A48 HydrophobicContact CD2-CB 4.1Å; L38-A48 HydrophobicContact CG-CB 4.03Å
49	G	98.2	Very high	93.5	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	177.5	170.5	0	0	0	0	0	111.5	R33 V58	R33-G49 CarbonylContact O-C 3.56Å; R33-G49 WeakPolarHBondContact O-CA 3.13Å; G49-V58 PolarHBondContact N-O 3.32Å; G49-V58 PolarHBondContact O-N 2.88Å
50	H	98.1	Very high	93.9	Very high	35 Å²	35	52.3 Å²	52.3	16%	0.162	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146	167.9	64.2	-87.2	0	0	0	112.2	Y32 R33 R55 L56	Y32-H50 WeakPolarHBondContact CA-O 3.41Å; R33-H50 PolarHBondContact N-O 3.06Å; R33-H50 PolarHBondContact O-N 2.95Å; H50-R55 PolarHBondContact NE2-NH1 2.79Å; H50-L56 CarbonylContact C-O 3.54Å; H50-L56 WeakPolarHBondContact CA-O 3.37Å
51	R	98	Very high	94.3	Very high	71 Å²	71	45 Å²	45	27%	0.268	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.6	169.8	-172	163.4	60.4	-170.6	3.9	110	Y32 D54 R55 L56	Y32-R51 HydrophobicContact CD1-CB 3.83Å; Y32-R51 HydrophobicContact CD1-CG 4.19Å; Y32-R51 HydrophobicContact CE1-CB 3.64Å; Y32-R51 HydrophobicContact CE1-CG 3.78Å; R51-D54 WeakPolarHBondContact CB-OD1 3.4Å; R51-D54 IonicContact CZ-OD1 3.56Å; R51-D54 IonicContact CZ-OD2 2.72Å; R51-D54 IonicContact NE-OD1 3.94Å; R51-D54 PolarHBondContact NE-OD1 2.98Å; R51-D54 IonicContact NE-OD2 2.77Å; R51-D54 PolarHBondContact NE-OD2 3.46Å; R51-D54 IonicContact NH2-OD1 2.75Å; R51-D54 IonicContact NH2-OD2 2.67Å; R51-D54 PolarHBondContact NH2-OD2 3.23Å; R51-R55 WeakPolarHBondContact O-CA 3.43Å; R51-R55 PolarHBondContact O-N 2.85Å; R51-L56 HydrophobicContact CB-CB 4.2Å; R51-L56 PolarHBondContact N-O 3.48Å
52	L	97.8	Very high	95.1	Very high	50 Å²	50	44.9 Å²	44.9	26%	0.262	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-32	-172.2	-67.8	-178.5	0	0	0	112.9	E31 R33	E31-L52 PolarHBondContact O-N 3.43Å; R33-L52 HydrophobicContact CB-CD2 3.97Å
53	T	97	Very high	96	Very high	122 Å²	122	42.4 Å²	42.4	75%	0.748	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-39.6	-174	52.6	0	0	0	0	113.5
54	D	96.3	Very high	96.8	Very high	82 Å²	82	42 Å²	42	44%	0.439	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	4.5	-172.8	66.5	-12.2	0	0	0	114	R51 L56	R51-D54 WeakPolarHBondContact CB-OD1 3.4Å; R51-D54 IonicContact CZ-OD1 3.56Å; R51-D54 IonicContact CZ-OD2 2.72Å; R51-D54 IonicContact NE-OD1 3.94Å; R51-D54 PolarHBondContact NE-OD1 2.98Å; R51-D54 IonicContact NE-OD2 2.77Å; R51-D54 PolarHBondContact NE-OD2 3.46Å; R51-D54 IonicContact NH2-OD1 2.75Å; R51-D54 IonicContact NH2-OD2 2.67Å; R51-D54 PolarHBondContact NH2-OD2 3.23Å; D54-L56 PolarHBondContact O-N 2.88Å; D54-L56 VanDerWaalsContact O-N 3.16Å; D54-L56 VanDerWaalsContact OD1-CB 3.22Å; D54-L56 WeakPolarHBondContact OD1-CB 3.44Å; D54-L56 PolarHBondContact OD1-N 3.07Å; D54-L56 VanDerWaalsContact OD1-N 3.09Å
55	R	96.8	Very high	96.9	Very high	149 Å²	149	46.2 Å²	46.2	56%	0.562	23%	0.23	S	C	*	.			trans	60.1	19.1	-177.4	-53.4	-59.6	-174.1	161.8	0.2	113.9	H50 R51 Q57	H50-R55 PolarHBondContact NE2-NH1 2.79Å; R51-R55 WeakPolarHBondContact O-CA 3.43Å; R51-R55 PolarHBondContact O-N 2.85Å; R55-Q57 PolarHBondContact O-N 3.47Å; R55-Q57 PolarHBondContact O-NE2 2.68Å; R55-Q57 VanDerWaalsContact O-NE2 3.14Å
56	L	97.3	Very high	96.7	Very high	70 Å²	70	51.7 Å²	51.7	37%	0.366	26%	0.259	S	S	.	.			trans	-54.4	124	174.8	178.3	64.3	0	0	0	109.3	H50 R51 D54 V58 L103	H50-L56 CarbonylContact C-O 3.54Å; H50-L56 WeakPolarHBondContact CA-O 3.37Å; R51-L56 HydrophobicContact CB-CB 4.2Å; R51-L56 PolarHBondContact N-O 3.48Å; D54-L56 PolarHBondContact O-N 2.88Å; D54-L56 VanDerWaalsContact O-N 3.16Å; D54-L56 VanDerWaalsContact OD1-CB 3.22Å; D54-L56 WeakPolarHBondContact OD1-CB 3.44Å; D54-L56 PolarHBondContact OD1-N 3.07Å; D54-L56 VanDerWaalsContact OD1-N 3.09Å; L56-V58 HydrophobicContact CD2-CG1 4.4Å; L56-V58 HydrophobicContact CG-CG1 4.24Å; L56-L103 HydrophobicContact CD2-CD1 4.15Å
57	Q	98.1	Very high	96.3	Very high	72 Å²	72	55.3 Å²	55.3	34%	0.336	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.5	176.3	-62.4	-60.2	-60.5	0	0	109.3	R55 L120	R55-Q57 PolarHBondContact O-N 3.47Å; R55-Q57 PolarHBondContact O-NE2 2.68Å; R55-Q57 VanDerWaalsContact O-NE2 3.14Å; Q57-L120 HydrophobicContact CB-CD1 3.63Å; Q57-L120 HydrophobicContact CG-CD1 3.63Å
58	V	98.4	Very high	96	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	160.2	-176.9	-62.5	0	0	0	0	110.4	Y32 G49 L56 I60 L103 V115 L116 R118	Y32-V58 HydrophobicContact CD1-CG2 4.14Å; Y32-V58 HydrophobicContact CE1-CG1 4.46Å; G49-V58 PolarHBondContact N-O 3.32Å; G49-V58 PolarHBondContact O-N 2.88Å; L56-V58 HydrophobicContact CD2-CG1 4.4Å; L56-V58 HydrophobicContact CG-CG1 4.24Å; V58-I60 HydrophobicContact CG2-CD1 4.24Å; V58-I60 HydrophobicContact CG2-CG1 4.07Å; V58-L103 HydrophobicContact CG1-CD1 3.72Å; V58-V115 HydrophobicContact CB-CG1 3.77Å; V58-V115 HydrophobicContact CG1-CG1 3.85Å; V58-V115 HydrophobicContact CG2-CG1 3.93Å; V58-L116 WeakPolarHBondContact CA-O 3.27Å; V58-L116 WeakPolarHBondContact CB-O 3.47Å; V58-R118 VanDerWaalsContact O-CD 3.28Å; V58-R118 WeakPolarHBondContact O-CD 3.3Å; V58-R118 PolarHBondContact O-NE 3.37Å
59	A	98.4	Very high	95.5	Very high	12 Å²	12	58.6 Å²	58.6	10%	0.099	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138	166.8	0	0	0	0	0	108.1	L38 V46 F47 L116 R118	L38-A59 HydrophobicContact CD1-CB 4.47Å; V46-A59 HydrophobicContact CG1-CB 4.1Å; F47-A59 CarbonylContact O-C 3.59Å; F47-A59 WeakPolarHBondContact O-CA 3.28Å; A59-L116 HydrophobicContact CB-CB 4.29Å; A59-L116 PolarHBondContact N-O 3.27Å; A59-L116 PolarHBondContact O-N 3.05Å; A59-R118 HydrophobicContact CB-CB 4.28Å; A59-R118 HydrophobicContact CB-CG 4.4Å
60	I	98.1	Very high	95.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	103.2	-175.9	-59.8	166	0	0	0	107.5	F28 L34 V46 F47 V58 V62 M113 L114	F28-I60 HydrophobicContact CE2-CD1 3.89Å; F28-I60 HydrophobicContact CE2-CG2 4.26Å; F28-I60 HydrophobicContact CZ-CD1 3.8Å; F28-I60 HydrophobicContact CZ-CG2 4.46Å; L34-I60 HydrophobicContact CD1-CB 3.99Å; L34-I60 HydrophobicContact CD1-CD1 3.77Å; L34-I60 HydrophobicContact CD1-CG2 3.89Å; V46-I60 WeakPolarHBondContact CA-O 3.35Å; F47-I60 PolarHBondContact N-O 3.18Å; F47-I60 PolarHBondContact O-N 3.22Å; V58-I60 HydrophobicContact CG2-CD1 4.24Å; V58-I60 HydrophobicContact CG2-CG1 4.07Å; I60-V62 HydrophobicContact CG2-CG2 4.44Å; I60-M113 HydrophobicContact CG2-CB 4.34Å; I60-M113 HydrophobicContact CG2-CE 3.67Å; I60-L114 CarbonylContact C-O 3.58Å; I60-L114 VanDerWaalsContact CA-O 3.32Å; I60-L114 WeakPolarHBondContact CA-O 3.39Å
61	K	97.6	Very high	94.9	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.022	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.6	177.5	-174.9	-178.9	-166.3	-170.5	0	109.1	F43 V46 I63 E83 M113 L114 L116 D182	F43-K61 WeakPolarHBondContact O-CE 3.44Å; V46-K61 HydrophobicContact CG2-CB 4.19Å; V46-K61 HydrophobicContact CG2-CG 4.05Å; K61-I63 HydrophobicContact CD-CD1 4.44Å; K61-I63 HydrophobicContact CD-CG1 4.42Å; K61-I63 HydrophobicContact CG-CG1 4.21Å; K61-E83 WeakPolarHBondContact CD-OE1 3.42Å; K61-E83 IonicContact NZ-OE1 3.44Å; K61-E83 PolarHBondContact NZ-OE1 3.34Å; K61-E83 IonicContact NZ-OE2 3.68Å; K61-E83 PolarHBondContact NZ-OE2 3.38Å; K61-M113 CarbonylContact O-C 3.52Å; K61-M113 WeakPolarHBondContact O-CA 3.4Å; K61-L114 HydrophobicContact CB-CB 4.3Å; K61-L114 PolarHBondContact N-O 2.82Å; K61-L114 PolarHBondContact O-N 2.85Å; K61-L116 HydrophobicContact CB-CD1 4.23Å; K61-D182 VanDerWaalsContact NZ-CG 3.28Å; K61-D182 IonicContact NZ-OD1 2.76Å; K61-D182 PolarHBondContact NZ-OD1 3.35Å; K61-D182 IonicContact NZ-OD2 3.52Å; K61-D182 PolarHBondContact NZ-OD2 2.91Å
62	V	96.3	Very high	94.8	Very high	41 Å²	41	60.8 Å²	60.8	25%	0.248	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.8	176.5	-175.9	0	0	0	0	109.2	G44 T45 F47 I60 F112 M113	G44-V62 VanDerWaalsContact CA-O 3.29Å; G44-V62 WeakPolarHBondContact CA-O 3.21Å; T45-V62 PolarHBondContact N-O 3Å; T45-V62 PolarHBondContact O-N 3.16Å; F47-V62 HydrophobicContact CD2-CG2 4.04Å; F47-V62 HydrophobicContact CE2-CG2 4Å; I60-V62 HydrophobicContact CG2-CG2 4.44Å; V62-F112 CarbonylContact C-O 3.59Å; V62-F112 WeakPolarHBondContact CA-O 3.36Å; V62-M113 HydrophobicContact CG2-CE 4.27Å; V62-M113 HydrophobicContact CG2-CG 4.26Å
63	I	95.2	Very high	94.5	Very high	6 Å²	6	63 Å²	63	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.8	-179.6	-50.6	177.2	0	0	0	108.2	K61 V68 E83 G111 F112 L114	K61-I63 HydrophobicContact CD-CD1 4.44Å; K61-I63 HydrophobicContact CD-CG1 4.42Å; K61-I63 HydrophobicContact CG-CG1 4.21Å; I63-V68 HydrophobicContact CG2-CG2 4.03Å; I63-E83 VanDerWaalsContact CD1-OE2 3.28Å; I63-E83 WeakPolarHBondContact CD1-OE2 3.34Å; I63-G111 CarbonylContact O-C 3.12Å; I63-G111 VanDerWaalsContact O-CA 3.31Å; I63-G111 WeakPolarHBondContact O-CA 3.47Å; I63-F112 HydrophobicContact CB-CB 4.46Å; I63-F112 PolarHBondContact N-O 2.82Å; I63-F112 PolarHBondContact O-N 2.98Å; I63-L114 HydrophobicContact CD1-CD1 3.7Å; I63-L114 HydrophobicContact CD1-CD2 4.37Å; I63-L114 HydrophobicContact CG1-CD1 4.29Å
64	P	93.7	Very high	94	Very high	37 Å²	37	58.4 Å²	58.4	24%	0.24	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	141.6	173.3	-25	35.2	0	0	0	111.4	N66 R67	P64-N66 VanDerWaalsContact CB-OD1 3.29Å; P64-N66 WeakPolarHBondContact CB-OD1 3.2Å; P64-N66 PolarHBondContact O-N 3.09Å; P64-N66 VanDerWaalsContact O-N 3.12Å; P64-R67 HydrophobicContact CB-CB 4.47Å; P64-R67 HydrophobicContact CB-CG 4.27Å; P64-R67 HydrophobicContact CG-CG 4.47Å; P64-R67 PolarHBondContact O-N 2.97Å
65	R	91.4	Very high	93.6	Very high	92 Å²	92	56.5 Å²	56.5	35%	0.347	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56.9	-34.3	-175.9	-167.8	173.6	-66.8	-91.3	-2	113.3	R67 E107 T108 E110 F112	R65-R67 PolarHBondContact O-N 3.4Å; R65-E107 IonicContact CZ-OE1 3.42Å; R65-E107 VanDerWaalsContact CZ-OE1 3.24Å; R65-E107 IonicContact NH1-OE1 3.61Å; R65-E107 PolarHBondContact NH1-OE1 2.77Å; R65-E107 IonicContact NH2-OE1 3.72Å; R65-E107 PolarHBondContact NH2-OE1 3.13Å; R65-T108 PolarHBondContact NH2-O 2.83Å; R65-E110 PolarHBondContact N-O 3.42Å; R65-E110 VanDerWaalsContact N-O 3.09Å; R65-F112 HydrophobicContact CG-CE2 4.39Å
66	N	90.4	Very high	92.9	Very high	144 Å²	144	58.2 Å²	58.2	77%	0.77	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-77	-1.6	177.9	69.3	-21.6	0	0	0	114.7	P64	P64-N66 VanDerWaalsContact CB-OD1 3.29Å; P64-N66 WeakPolarHBondContact CB-OD1 3.2Å; P64-N66 PolarHBondContact O-N 3.09Å; P64-N66 VanDerWaalsContact O-N 3.12Å
67	R	90.1	Very high	92.2	Very high	116 Å²	116	60.1 Å²	60.1	44%	0.438	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-112.1	5.1	176.6	-65.5	-171.1	-178.6	-169.4	-3.4	113.2	P64 R65 L69	P64-R67 HydrophobicContact CB-CB 4.47Å; P64-R67 HydrophobicContact CB-CG 4.27Å; P64-R67 HydrophobicContact CG-CG 4.47Å; P64-R67 PolarHBondContact O-N 2.97Å; R65-R67 PolarHBondContact O-N 3.4Å; R67-L69 PolarHBondContact O-N 2.8Å
68	V	90.4	Very high	91.8	Very high	24 Å²	24	57.8 Å²	57.8	15%	0.145	31%	0.312	C	S	.	.			trans	-71.2	112.1	174.8	176.6	0	0	0	0	108.6	I63 G70 W71 P81 F112	I63-V68 HydrophobicContact CG2-CG2 4.03Å; V68-G70 VanDerWaalsContact C-N 3.34Å; V68-G70 WeakPolarHBondContact CG1-O 3.35Å; V68-W71 HydrophobicContact CB-CZ2 4.18Å; V68-W71 HydrophobicContact CG1-CD2 4.07Å; V68-W71 HydrophobicContact CG1-CG 4.44Å; V68-W71 HydrophobicContact CG1-CZ2 3.97Å; V68-W71 HydrophobicContact CG2-CZ2 4.34Å; V68-P81 HydrophobicContact CG1-CB 3.94Å; V68-P81 HydrophobicContact CG1-CG 4.39Å; V68-P81 HydrophobicContact CG2-CB 4.43Å; V68-P81 HydrophobicContact CG2-CG 4.28Å; V68-F112 HydrophobicContact CG2-CD2 3.82Å; V68-F112 HydrophobicContact CG2-CE2 3.91Å
69	L	87.3	Confident	91.5	Very high	101 Å²	101	61.8 Å²	61.8	53%	0.529	34%	0.337	S	S	.	.			trans	-72.3	-27.4	-177.2	-62.5	-176.8	0	0	0	113.1	F43 R67 D198	F43-L69 HydrophobicContact CD1-CD1 4.39Å; F43-L69 HydrophobicContact CE1-CD1 4.14Å; R67-L69 PolarHBondContact O-N 2.8Å; L69-D198 HydrophobicContact CD1-CB 4.02Å
70	G	91.2	Very high	91.4	Very high	17 Å²	17	61.2 Å²	61.2	18%	0.175	33%	0.332	C	S	.	.			trans	-160.3	162.1	-179.7	0	0	0	0	0	112.1	V68 L82	V68-G70 VanDerWaalsContact C-N 3.34Å; V68-G70 WeakPolarHBondContact CG1-O 3.35Å; G70-L82 WeakPolarHBondContact O-CB 3.16Å; G70-L82 PolarHBondContact O-N 3.38Å
71	W	94.2	Very high	91.2	Very high	122 Å²	122	61.4 Å²	61.4	46%	0.462	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.8	177.2	-62	85.4	0	0	0	109.3	V68 T79 C80 P81 F112	V68-W71 HydrophobicContact CB-CZ2 4.18Å; V68-W71 HydrophobicContact CG1-CD2 4.07Å; V68-W71 HydrophobicContact CG1-CG 4.44Å; V68-W71 HydrophobicContact CG1-CZ2 3.97Å; V68-W71 HydrophobicContact CG2-CZ2 4.34Å; W71-T79 HydrophobicContact CB-CG2 4.05Å; W71-T79 HydrophobicContact CE3-CG2 4.14Å; W71-C80 WeakPolarHBondContact CA-O 3.39Å; W71-P81 HydrophobicContact CZ3-CG 4.48Å; W71-F112 HydrophobicContact CH2-CE1 4.44Å; W71-F112 AromaticContact CH2-CE2 3.39Å; W71-F112 HydrophobicContact CH2-CE2 3.39Å; W71-F112 AromaticContact CH2-CZ 3.26Å; W71-F112 HydrophobicContact CH2-CZ 3.26Å; W71-F112 HydrophobicContact CZ2-CE2 4.24Å; W71-F112 HydrophobicContact CZ2-CZ 4.46Å; W71-F112 HydrophobicContact CZ3-CE1 4.24Å; W71-F112 AromaticContact CZ3-CE2 3.9Å; W71-F112 HydrophobicContact CZ3-CE2 3.9Å; W71-F112 AromaticContact CZ3-CZ 3.42Å; W71-F112 HydrophobicContact CZ3-CZ 3.42Å; W71-F112 VanDerWaalsContact CZ3-CZ 3.42Å
72	S	94.3	Very high	91.2	Very high	14 Å²	14	62.8 Å²	62.8	10%	0.098	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141	179.4	-162.9	0	0	0	0	110.9	L74 C80	S72-L74 PolarHBondContact O-N 3.39Å; S72-C80 PolarHBondContact N-O 2.73Å; S72-C80 PolarHBondContact O-N 2.8Å
73	P	91.5	Very high	91.2	Very high	97 Å²	97	61.4 Å²	61.4	63%	0.63	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	124.8	170.2	28.6	-33.1	0	0	0	109.2
74	L	87.9	Confident	91.3	Very high	26 Å²	26	61.1 Å²	61.1	14%	0.136	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-33.2	174.1	-163.7	65.1	0	0	0	111.2	P19 P20 S72 V78 V84 A85 W88 W105	P19-L74 HydrophobicContact CB-CD2 4.14Å; P20-L74 HydrophobicContact CB-CD2 4.34Å; S72-L74 PolarHBondContact O-N 3.39Å; L74-V78 HydrophobicContact CB-CB 4.41Å; L74-V78 HydrophobicContact CB-CG1 4.18Å; L74-V78 HydrophobicContact CD2-CG1 4.36Å; L74-V78 PolarHBondContact N-O 2.93Å; L74-V84 HydrophobicContact CD2-CG1 4.4Å; L74-A85 HydrophobicContact CD1-CB 4.16Å; L74-W88 HydrophobicContact CD1-CB 3.86Å; L74-W88 HydrophobicContact CD1-CG 3.85Å; L74-W105 HydrophobicContact CD2-CZ2 4.19Å
75	S	86.3	Confident	91.4	Very high	42 Å²	42	59.5 Å²	59.5	29%	0.294	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	173.7	172.4	60	0	0	0	0	109.1	S77 V78	S75-S77 PolarHBondContact O-N 3.15Å; S75-V78 PolarHBondContact N-O 3.21Å; S75-V78 PolarHBondContact O-N 3.23Å; S75-V78 WeakPolarHBondContact OG-CB 3.42Å; S75-V78 WeakPolarHBondContact OG-CG2 3.41Å
76	D	83.1	Confident	91.7	Very high	184 Å²	184	55.1 Å²	55.1	98%	0.984	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.5	-178.1	-62.3	-18	0	0	0	114.6
77	S	83.6	Confident	92	Very high	110 Å²	110	48.4 Å²	48.4	77%	0.769	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-0.5	-177.9	57.1	0	0	0	0	115.2	S75	S75-S77 PolarHBondContact O-N 3.15Å
78	V	88.9	Confident	92.3	Very high	23 Å²	23	46 Å²	46	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.1	-171.4	-179.9	0	0	0	0	110.6	P20 L74 S75 W105	P20-V78 HydrophobicContact CB-CG2 4.49Å; L74-V78 HydrophobicContact CB-CB 4.41Å; L74-V78 HydrophobicContact CB-CG1 4.18Å; L74-V78 HydrophobicContact CD2-CG1 4.36Å; L74-V78 PolarHBondContact N-O 2.93Å; S75-V78 PolarHBondContact N-O 3.21Å; S75-V78 PolarHBondContact O-N 3.23Å; S75-V78 WeakPolarHBondContact OG-CB 3.42Å; S75-V78 WeakPolarHBondContact OG-CG2 3.41Å; V78-W105 HydrophobicContact CG1-CH2 4.26Å; V78-W105 HydrophobicContact CG1-CZ2 3.87Å
79	T	92.6	Very high	92.6	Very high	85 Å²	85	49 Å²	49	52%	0.521	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.5	168	-57.5	0	0	0	0	108.9	W71	W71-T79 HydrophobicContact CB-CG2 4.05Å; W71-T79 HydrophobicContact CE3-CG2 4.14Å
80	C	94.7	Very high	93.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	168.2	-178.5	67.8	0	0	0	0	110.7	W71 S72 V84 W105	W71-C80 WeakPolarHBondContact CA-O 3.39Å; S72-C80 PolarHBondContact N-O 2.73Å; S72-C80 PolarHBondContact O-N 2.8Å; C80-V84 HydrophobicContact CB-CB 4.1Å; C80-V84 HydrophobicContact CB-CG1 4.03Å; C80-W105 HydrophobicContact CB-CH2 3.45Å; C80-W105 VanDerWaalsContact CB-CH2 3.45Å; C80-W105 HydrophobicContact CB-CZ2 3.71Å; C80-W105 HydrophobicContact CB-CZ3 3.9Å
81	P	95.8	Very high	93.3	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.019	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	142.2	167.4	-25.7	35.2	0	0	0	111.2	V68 W71 E83 V84 A85 F112	V68-P81 HydrophobicContact CG1-CB 3.94Å; V68-P81 HydrophobicContact CG1-CG 4.39Å; V68-P81 HydrophobicContact CG2-CB 4.43Å; V68-P81 HydrophobicContact CG2-CG 4.28Å; W71-P81 HydrophobicContact CZ3-CG 4.48Å; P81-E83 PolarHBondContact O-N 3.15Å; P81-V84 HydrophobicContact CB-CG2 4.26Å; P81-V84 HydrophobicContact CG-CG2 4.32Å; P81-V84 WeakPolarHBondContact O-CB 3.32Å; P81-V84 PolarHBondContact O-N 2.82Å; P81-A85 PolarHBondContact O-N 3.05Å; P81-F112 HydrophobicContact CG-CB 4.09Å; P81-F112 HydrophobicContact CG-CD1 3.65Å; P81-F112 HydrophobicContact CG-CD2 3.47Å; P81-F112 VanDerWaalsContact CG-CD2 3.47Å; P81-F112 HydrophobicContact CG-CE1 3.93Å; P81-F112 HydrophobicContact CG-CE2 3.78Å; P81-F112 HydrophobicContact CG-CG 3.41Å; P81-F112 VanDerWaalsContact CG-CG 3.41Å; P81-F112 HydrophobicContact CG-CZ 4.01Å
82	L	95.8	Very high	93.1	Very high	35 Å²	35	40.4 Å²	40.4	18%	0.183	24%	0.239	C	C	.	.	H	α-helix	trans	-53.1	-42.6	-178.6	179.7	61.2	0	0	0	111.6	G70 V84 A85 L86 G186	G70-L82 WeakPolarHBondContact O-CB 3.16Å; G70-L82 PolarHBondContact O-N 3.38Å; L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 PolarHBondContact O-N 2.97Å; L82-A85 WeakPolarHBondContact O-CB 3.3Å; L82-A85 PolarHBondContact O-N 2.75Å; L82-L86 HydrophobicContact CD1-CD1 4.34Å; L82-L86 HydrophobicContact CD1-CD2 4.01Å; L82-L86 HydrophobicContact CD1-CG 4Å; L82-L86 HydrophobicContact CD2-CD1 4.49Å; L82-L86 HydrophobicContact CG-CD1 3.95Å; L82-L86 HydrophobicContact CG-CG 4.05Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.2Å; L82-G186 WeakPolarHBondContact CD2-O 3.16Å
83	E	96.7	Very high	92.8	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-54.5	-40.8	177	-174.4	174.8	175.6	0	0	113	K61 I63 P81 L86 L87 L114 F183	K61-E83 WeakPolarHBondContact CD-OE1 3.42Å; K61-E83 IonicContact NZ-OE1 3.44Å; K61-E83 PolarHBondContact NZ-OE1 3.34Å; K61-E83 IonicContact NZ-OE2 3.68Å; K61-E83 PolarHBondContact NZ-OE2 3.38Å; I63-E83 VanDerWaalsContact CD1-OE2 3.28Å; I63-E83 WeakPolarHBondContact CD1-OE2 3.34Å; P81-E83 PolarHBondContact O-N 3.15Å; E83-L86 PolarHBondContact O-N 2.79Å; E83-L87 HydrophobicContact CG-CD1 3.97Å; E83-L87 WeakPolarHBondContact O-CB 3.38Å; E83-L87 WeakPolarHBondContact O-CG 3.2Å; E83-L87 PolarHBondContact O-N 2.9Å; E83-L114 HydrophobicContact CG-CD2 3.99Å; E83-F183 HydrophobicContact CG-CB 4.11Å
84	V	96.9	Very high	92.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-47.2	175.8	174.2	0	0	0	0	110.2	L74 C80 P81 L82 W88 L102 W105 L114	L74-V84 HydrophobicContact CD2-CG1 4.4Å; C80-V84 HydrophobicContact CB-CB 4.1Å; C80-V84 HydrophobicContact CB-CG1 4.03Å; P81-V84 HydrophobicContact CB-CG2 4.26Å; P81-V84 HydrophobicContact CG-CG2 4.32Å; P81-V84 WeakPolarHBondContact O-CB 3.32Å; P81-V84 PolarHBondContact O-N 2.82Å; L82-V84 VanDerWaalsContact C-N 3.28Å; L82-V84 PolarHBondContact O-N 2.97Å; V84-W88 WeakPolarHBondContact O-CB 3.31Å; V84-W88 PolarHBondContact O-N 2.78Å; V84-L102 HydrophobicContact CG1-CD2 4.05Å; V84-W105 HydrophobicContact CG1-CB 4.4Å; V84-W105 HydrophobicContact CG1-CD2 3.75Å; V84-W105 HydrophobicContact CG1-CE3 4.4Å; V84-W105 HydrophobicContact CG1-CG 3.73Å; V84-W105 HydrophobicContact CG2-CB 4.34Å; V84-W105 HydrophobicContact CG2-CD2 4.25Å; V84-W105 HydrophobicContact CG2-CE3 4.24Å; V84-W105 HydrophobicContact CG2-CG 4.31Å; V84-L114 HydrophobicContact CG2-CD1 3.79Å; V84-L114 HydrophobicContact CG2-CD2 3.96Å; V84-L114 HydrophobicContact CG2-CG 3.82Å
85	A	96.6	Very high	93	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-41.5	179.6	0	0	0	0	0	112.6	L74 P81 L82 W88 K89	L74-A85 HydrophobicContact CD1-CB 4.16Å; P81-A85 PolarHBondContact O-N 3.05Å; L82-A85 WeakPolarHBondContact O-CB 3.3Å; L82-A85 PolarHBondContact O-N 2.75Å; A85-W88 PolarHBondContact O-N 3.15Å; A85-K89 VanDerWaalsContact O-CG 3.32Å; A85-K89 WeakPolarHBondContact O-CG 3.39Å; A85-K89 PolarHBondContact O-N 3.47Å
86	L	97.8	Very high	93.5	Very high	0 Å²	0	40 Å²	40	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-49.7	178.3	-62.1	-178.6	0	0	0	111.1	L82 E83 W88 K89 V90 V159 F183 L188	L82-L86 HydrophobicContact CD1-CD1 4.34Å; L82-L86 HydrophobicContact CD1-CD2 4.01Å; L82-L86 HydrophobicContact CD1-CG 4Å; L82-L86 HydrophobicContact CD2-CD1 4.49Å; L82-L86 HydrophobicContact CG-CD1 3.95Å; L82-L86 HydrophobicContact CG-CG 4.05Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.2Å; E83-L86 PolarHBondContact O-N 2.79Å; L86-W88 VanDerWaalsContact C-N 3.27Å; L86-W88 PolarHBondContact O-N 2.85Å; L86-K89 PolarHBondContact O-N 2.89Å; L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 2.85Å; L86-V159 HydrophobicContact CB-CG1 4.1Å; L86-V159 HydrophobicContact CD2-CG1 4.06Å; L86-V159 HydrophobicContact CD2-CG2 3.95Å; L86-V159 HydrophobicContact CG-CG1 4.43Å; L86-F183 HydrophobicContact CB-CB 4.31Å; L86-F183 HydrophobicContact CB-CD1 4.21Å; L86-F183 HydrophobicContact CD1-CB 4.48Å; L86-L188 HydrophobicContact CD2-CD2 3.88Å; L86-L188 HydrophobicContact CD2-CG 4.37Å
87	L	97.6	Very high	94.2	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-37.9	177.1	-77.1	169.5	0	0	0	112.2	E83 V90 G91 I100 L102 L114 L116 F183	E83-L87 HydrophobicContact CG-CD1 3.97Å; E83-L87 WeakPolarHBondContact O-CB 3.38Å; E83-L87 WeakPolarHBondContact O-CG 3.2Å; E83-L87 PolarHBondContact O-N 2.9Å; L87-V90 VanDerWaalsContact O-CG2 3.27Å; L87-V90 WeakPolarHBondContact O-CG2 3.23Å; L87-G91 PolarHBondContact O-N 3.03Å; L87-I100 HydrophobicContact CD2-CG2 4.17Å; L87-L102 HydrophobicContact CB-CB 3.82Å; L87-L102 HydrophobicContact CB-CD2 4.14Å; L87-L102 HydrophobicContact CD1-CB 4.41Å; L87-L114 HydrophobicContact CD1-CD2 3.86Å; L87-L116 HydrophobicContact CD1-CD2 3.91Å; L87-F183 HydrophobicContact CD2-CB 4.47Å; L87-F183 HydrophobicContact CD2-CD2 3.42Å; L87-F183 VanDerWaalsContact CD2-CD2 3.42Å; L87-F183 HydrophobicContact CD2-CE2 3.8Å; L87-F183 HydrophobicContact CD2-CG 4.03Å; L87-F183 HydrophobicContact CG-CB 4.24Å; L87-F183 HydrophobicContact CG-CD2 4.12Å; L87-F183 HydrophobicContact CG-CG 4.27Å
88	W	95.8	Very high	94.8	Very high	64 Å²	64	29.7 Å²	29.7	24%	0.242	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-46.7	174.6	176.4	-128.8	0	0	0	112.4	T17 P19 L74 V84 A85 L86 V90 G91 A92	T17-W88 HydrophobicContact CG2-CH2 3.62Å; T17-W88 HydrophobicContact CG2-CZ3 4.37Å; P19-W88 HydrophobicContact CB-CD2 4.21Å; P19-W88 HydrophobicContact CB-CE3 4.37Å; P19-W88 HydrophobicContact CB-CG 4.36Å; P19-W88 VanDerWaalsContact CD-CD2 3.41Å; P19-W88 HydrophobicContact CG-CB 4.15Å; P19-W88 HydrophobicContact CG-CD2 3.46Å; P19-W88 VanDerWaalsContact CG-CD2 3.46Å; P19-W88 HydrophobicContact CG-CE3 3.2Å; P19-W88 HydrophobicContact CG-CG 3.93Å; P19-W88 HydrophobicContact CG-CH2 4.3Å; P19-W88 HydrophobicContact CG-CZ3 3.7Å; P19-W88 VanDerWaalsContact O-CE2 3.24Å; P19-W88 PolarHBondContact O-NE1 3.44Å; L74-W88 HydrophobicContact CD1-CB 3.86Å; L74-W88 HydrophobicContact CD1-CG 3.85Å; V84-W88 WeakPolarHBondContact O-CB 3.31Å; V84-W88 PolarHBondContact O-N 2.78Å; A85-W88 PolarHBondContact O-N 3.15Å; L86-W88 VanDerWaalsContact C-N 3.27Å; L86-W88 PolarHBondContact O-N 2.85Å; W88-V90 PolarHBondContact O-N 3.02Å; W88-G91 CarbonylContact O-C 3.51Å; W88-G91 PolarHBondContact O-N 2.83Å; W88-G91 VanDerWaalsContact O-N 3.12Å; W88-A92 PolarHBondContact O-N 2.89Å
89	K	96.1	Very high	95.3	Very high	88 Å²	88	28.9 Å²	28.9	38%	0.383	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-43.1	179.6	-74.3	179.7	78.2	155.5	0	112.3	A85 L86 G91 R157 V159 L188	A85-K89 VanDerWaalsContact O-CG 3.32Å; A85-K89 WeakPolarHBondContact O-CG 3.39Å; A85-K89 PolarHBondContact O-N 3.47Å; L86-K89 PolarHBondContact O-N 2.89Å; K89-G91 VanDerWaalsContact C-N 3.32Å; K89-R157 PolarHBondContact O-NH1 3.09Å; K89-V159 HydrophobicContact CB-CG2 4.02Å; K89-L188 HydrophobicContact CD-CD2 3.92Å; K89-L188 VanDerWaalsContact NZ-CD2 3.33Å
90	V	97.6	Very high	95.5	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-71.6	-28.5	176.1	-56.8	0	0	0	0	112	L86 L87 W88 G95 V99 H153 C154 R157 V159 F183	L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 2.85Å; L87-V90 VanDerWaalsContact O-CG2 3.27Å; L87-V90 WeakPolarHBondContact O-CG2 3.23Å; W88-V90 PolarHBondContact O-N 3.02Å; V90-G95 WeakPolarHBondContact O-CA 3.28Å; V90-V99 HydrophobicContact CG2-CG1 3.85Å; V90-H153 PolarHBondContact O-NE2 3.41Å; V90-C154 HydrophobicContact CG1-CB 4.27Å; V90-R157 HydrophobicContact CG1-CB 4.4Å; V90-V159 HydrophobicContact CG1-CB 3.79Å; V90-V159 HydrophobicContact CG1-CG1 3.95Å; V90-V159 HydrophobicContact CG1-CG2 3.83Å; V90-F183 HydrophobicContact CG1-CE1 4.13Å; V90-F183 HydrophobicContact CG2-CE1 4.39Å; V90-F183 HydrophobicContact CG2-CZ 4.25Å
91	G	95.6	Very high	95.6	Very high	18 Å²	18	29.9 Å²	29.9	19%	0.186	19%	0.189	C	C	.	.	H	α-helix	trans	-77.6	-16	177.1	0	0	0	0	0	115.5	L87 W88 K89 G95	L87-G91 PolarHBondContact O-N 3.03Å; W88-G91 CarbonylContact O-C 3.51Å; W88-G91 PolarHBondContact O-N 2.83Å; W88-G91 VanDerWaalsContact O-N 3.12Å; K89-G91 VanDerWaalsContact C-N 3.32Å; G91-G95 PolarHBondContact O-N 2.95Å; G91-G95 VanDerWaalsContact O-N 3.15Å
92	A	90.3	Very high	95.7	Very high	39 Å²	39	30.4 Å²	30.4	32%	0.322	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-58.3	151	-178.2	0	0	0	0	0	112.2	W88 G94 G95 R157	W88-A92 PolarHBondContact O-N 2.89Å; A92-G94 PolarHBondContact O-N 2.83Å; A92-G95 PolarHBondContact O-N 2.79Å; A92-R157 VanDerWaalsContact C-NH1 3.35Å; A92-R157 PolarHBondContact O-NH1 3.27Å; A92-R157 PolarHBondContact O-NH2 2.82Å
93	G	88.6	Confident	95.7	Very high	84 Å²	84	30.3 Å²	30.3	87%	0.866	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	60.1	29.5	179.1	0	0	0	0	0	114.8
94	G	88.9	Confident	95.7	Very high	29 Å²	29	30 Å²	30	30%	0.299	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	94.2	-13	-179.9	0	0	0	0	0	115	A92 R101	A92-G94 PolarHBondContact O-N 2.83Å; G94-R101 PolarHBondContact O-NH2 3.12Å
95	G	93.9	Very high	95.7	Very high	22 Å²	22	30.1 Å²	30.1	23%	0.227	19%	0.19	C	C	.	.			trans	70.1	-159.3	179.8	0	0	0	0	0	113.7	V90 G91 A92	V90-G95 WeakPolarHBondContact O-CA 3.28Å; G91-G95 PolarHBondContact O-N 2.95Å; G91-G95 VanDerWaalsContact O-N 3.15Å; A92-G95 PolarHBondContact O-N 2.79Å
96	H	97.3	Very high	95.7	Very high	37 Å²	37	30 Å²	30	17%	0.171	19%	0.189	C	C	.	.			trans	-125.7	138.3	176.7	-178	-90.8	0	0	0	109.6	G98 V99 H153	H96-G98 WeakPolarHBondContact ND1-CA 3.43Å; H96-G98 PolarHBondContact ND1-N 2.99Å; H96-G98 PolarHBondContact O-N 2.72Å; H96-G98 VanDerWaalsContact O-N 3.15Å; H96-V99 HydrophobicContact CB-CG2 4.34Å; H96-V99 PolarHBondContact O-N 2.78Å; H96-H153 HydrophobicContact CB-CB 3.91Å; H96-H153 VanDerWaalsContact CB-CD2 3.43Å; H96-H153 WeakPolarHBondContact CB-CD2 3.14Å; H96-H153 VanDerWaalsContact CB-CG 3.44Å
97	P	96.4	Very high	95.6	Very high	72 Å²	72	33.2 Å²	33.2	47%	0.468	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.4	-177	22	-35.3	0	0	0	113.9	V99 K179 W307	P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 PolarHBondContact O-N 2.8Å; P97-K179 WeakPolarHBondContact O-CG 3.39Å; P97-K179 PolarHBondContact O-NZ 3.03Å; P97-W307 HydrophobicContact CB-CH2 4.37Å; P97-W307 HydrophobicContact CG-CH2 3.55Å; P97-W307 HydrophobicContact CG-CZ2 4.1Å
98	G	97.9	Very high	95.2	Very high	4 Å²	4	34 Å²	34	4%	0.041	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	10.9	177.2	0	0	0	0	0	115.6	H96 A150 A178 K179 L180	H96-G98 WeakPolarHBondContact ND1-CA 3.43Å; H96-G98 PolarHBondContact ND1-N 2.99Å; H96-G98 PolarHBondContact O-N 2.72Å; H96-G98 VanDerWaalsContact O-N 3.15Å; G98-A150 VanDerWaalsContact O-CB 3.28Å; G98-A150 WeakPolarHBondContact O-CB 3.27Å; G98-A178 WeakPolarHBondContact CA-O 3.32Å; G98-K179 CarbonylContact O-C 3.48Å; G98-K179 WeakPolarHBondContact O-CA 3.21Å; G98-L180 PolarHBondContact O-N 2.8Å
99	V	98.4	Very high	94.9	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.042	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-123.6	135.2	173.1	-179	0	0	0	0	108.7	V90 H96 P97 R101 A150 F183	V90-V99 HydrophobicContact CG2-CG1 3.85Å; H96-V99 HydrophobicContact CB-CG2 4.34Å; H96-V99 PolarHBondContact O-N 2.78Å; P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 PolarHBondContact O-N 2.8Å; V99-R101 PolarHBondContact O-N 3.03Å; V99-A150 HydrophobicContact CG2-CB 3.93Å; V99-F183 HydrophobicContact CG1-CE2 3.75Å; V99-F183 HydrophobicContact CG1-CZ 3.65Å
100	I	97.8	Very high	94.4	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-64.4	133.1	177.4	-155.1	68.1	0	0	0	110.6	L87 L116 E117 P119 K179 L180 I181	L87-I100 HydrophobicContact CD2-CG2 4.17Å; I100-L116 HydrophobicContact CG1-CB 4.43Å; I100-E117 HydrophobicContact CD1-CB 3.87Å; I100-E117 HydrophobicContact CD1-CG 4.23Å; I100-E117 WeakPolarHBondContact CD1-O 3.49Å; I100-E117 HydrophobicContact CG1-CB 4.22Å; I100-P119 HydrophobicContact CD1-CG 4.46Å; I100-K179 HydrophobicContact CD1-CD 4.22Å; I100-L180 WeakPolarHBondContact CB-O 3.21Å; I100-L180 PolarHBondContact N-O 3Å; I100-I181 HydrophobicContact CB-CG2 3.79Å; I100-I181 HydrophobicContact CD1-CG2 4.31Å; I100-I181 HydrophobicContact CG1-CG2 4.08Å; I100-I181 HydrophobicContact CG2-CB 4.3Å; I100-I181 HydrophobicContact CG2-CG2 3.99Å
101	R	96.6	Very high	94.2	Very high	100 Å²	100	40.5 Å²	40.5	38%	0.377	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-87.5	130.2	-176.7	-169.5	177.4	-68.5	157.2	-2.6	111.4	G94 V99 L103 L116 E117	G94-R101 PolarHBondContact O-NH2 3.12Å; V99-R101 PolarHBondContact O-N 3.03Å; R101-L103 HydrophobicContact CB-CD2 4.36Å; R101-L103 HydrophobicContact CG-CD2 4.08Å; R101-L103 PolarHBondContact O-N 3.35Å; R101-L116 CarbonylContact O-C 3.57Å; R101-L116 WeakPolarHBondContact O-CA 3.28Å; R101-E117 HydrophobicContact CB-CB 4.16Å; R101-E117 PolarHBondContact O-N 2.73Å
102	L	97.6	Very high	94.3	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.068	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	119.4	160.7	-179.6	71.2	0	0	0	109.4	P19 V84 L87 D104 L114 L116	P19-L102 HydrophobicContact CB-CD2 4.33Å; P19-L102 HydrophobicContact CG-CD2 3.95Å; V84-L102 HydrophobicContact CG1-CD2 4.05Å; L87-L102 HydrophobicContact CB-CB 3.82Å; L87-L102 HydrophobicContact CB-CD2 4.14Å; L87-L102 HydrophobicContact CD1-CB 4.41Å; L102-D104 WeakPolarHBondContact CD1-O 3.49Å; L102-L114 HydrophobicContact CD1-CB 4.02Å; L102-L114 HydrophobicContact CD1-CD2 4.35Å; L102-L114 HydrophobicContact CD1-CG 4.12Å; L102-L116 HydrophobicContact CB-CD2 4.38Å; L102-L116 HydrophobicContact CD1-CD2 3.88Å
103	L	96.4	Very high	94.6	Very high	33 Å²	33	38.6 Å²	38.6	17%	0.173	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-33.6	179.9	-56.2	179.2	0	0	0	111.7	P18 L56 V58 R101 V115	P18-L103 WeakPolarHBondContact CD-O 3.36Å; L56-L103 HydrophobicContact CD2-CD1 4.15Å; V58-L103 HydrophobicContact CG1-CD1 3.72Å; R101-L103 HydrophobicContact CB-CD2 4.36Å; R101-L103 HydrophobicContact CG-CD2 4.08Å; R101-L103 PolarHBondContact O-N 3.35Å; L103-V115 HydrophobicContact CB-CG1 4.2Å; L103-V115 WeakPolarHBondContact CB-O 3.31Å; L103-V115 HydrophobicContact CD1-CG1 4.4Å; L103-V115 PolarHBondContact N-O 3.44Å
104	D	96.4	Very high	95	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	166.7	-177.1	-149.2	-18	0	0	0	111	K23 Y32 L102 F106 V115	K23-D104 WeakPolarHBondContact CE-OD1 3.45Å; K23-D104 VanDerWaalsContact CE-OD2 3.3Å; K23-D104 WeakPolarHBondContact CE-OD2 3.41Å; K23-D104 IonicContact NZ-OD1 3.43Å; K23-D104 PolarHBondContact NZ-OD1 2.96Å; K23-D104 IonicContact NZ-OD2 3.61Å; K23-D104 PolarHBondContact NZ-OD2 3.42Å; Y32-D104 HydrophobicContact CE2-CB 4.38Å; Y32-D104 PolarHBondContact OH-OD2 2.97Å; L102-D104 WeakPolarHBondContact CD1-O 3.49Å; D104-F106 HydrophobicContact CB-CE2 3.96Å; D104-F106 HydrophobicContact CB-CZ 4.5Å; D104-F106 WeakPolarHBondContact OD2-CZ 3.48Å; D104-V115 HydrophobicContact CB-CB 3.91Å; D104-V115 HydrophobicContact CB-CG2 4.11Å; D104-V115 PolarHBondContact N-O 3.07Å; D104-V115 PolarHBondContact O-N 2.83Å
105	W	97.3	Very high	95.5	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.1	168.8	73	-66.6	0	0	0	113.3	G21 G22 K23 L74 V78 C80 V84 F112 M113	G21-W105 VanDerWaalsContact O-CZ2 3.31Å; G21-W105 WeakPolarHBondContact O-CZ2 3.47Å; G21-W105 PolarHBondContact O-NE1 2.95Å; G22-W105 VanDerWaalsContact N-CZ2 3.29Å; K23-W105 PolarHBondContact N-O 2.94Å; L74-W105 HydrophobicContact CD2-CZ2 4.19Å; V78-W105 HydrophobicContact CG1-CH2 4.26Å; V78-W105 HydrophobicContact CG1-CZ2 3.87Å; C80-W105 HydrophobicContact CB-CH2 3.45Å; C80-W105 VanDerWaalsContact CB-CH2 3.45Å; C80-W105 HydrophobicContact CB-CZ2 3.71Å; C80-W105 HydrophobicContact CB-CZ3 3.9Å; V84-W105 HydrophobicContact CG1-CB 4.4Å; V84-W105 HydrophobicContact CG1-CD2 3.75Å; V84-W105 HydrophobicContact CG1-CE3 4.4Å; V84-W105 HydrophobicContact CG1-CG 3.73Å; V84-W105 HydrophobicContact CG2-CB 4.34Å; V84-W105 HydrophobicContact CG2-CD2 4.25Å; V84-W105 HydrophobicContact CG2-CE3 4.24Å; V84-W105 HydrophobicContact CG2-CG 4.31Å; W105-F112 HydrophobicContact CE3-CD1 4.07Å; W105-F112 AromaticContact CZ3-CD1 3.81Å; W105-F112 HydrophobicContact CZ3-CD1 3.81Å; W105-F112 AromaticContact CZ3-CE1 3.91Å; W105-F112 HydrophobicContact CZ3-CE1 3.91Å; W105-M113 CarbonylContact C-O 3.56Å; W105-M113 VanDerWaalsContact CA-O 3.23Å; W105-M113 WeakPolarHBondContact CA-O 3.43Å
106	F	96.3	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.7	-173.7	-59	-96.7	0	0	0	110.5	K23 D24 A27 F28 Y32 D104 F112 M113 V115	K23-F106 HydrophobicContact CB-CD1 3.3Å; K23-F106 HydrophobicContact CB-CE1 3.42Å; K23-F106 VanDerWaalsContact CB-CE1 3.42Å; K23-F106 HydrophobicContact CB-CG 4.31Å; K23-F106 HydrophobicContact CB-CZ 4.49Å; K23-F106 HydrophobicContact CD-CE1 4.03Å; K23-F106 HydrophobicContact CG-CE1 4.32Å; K23-F106 CarbonylContact O-C 3.56Å; K23-F106 WeakPolarHBondContact O-CA 3.46Å; K23-F106 VanDerWaalsContact O-CB 3.28Å; K23-F106 WeakPolarHBondContact O-CB 3.44Å; D24-F106 WeakPolarHBondContact O-CD1 3.33Å; A27-F106 HydrophobicContact CB-CE1 4.24Å; F28-F106 HydrophobicContact CB-CB 4.44Å; F28-F106 HydrophobicContact CB-CD1 3.53Å; F28-F106 HydrophobicContact CB-CD2 4.28Å; F28-F106 HydrophobicContact CB-CE1 3.78Å; F28-F106 HydrophobicContact CB-CE2 4.49Å; F28-F106 HydrophobicContact CB-CG 3.82Å; F28-F106 HydrophobicContact CB-CZ 4.27Å; F28-F106 AromaticContact CD2-CD2 3.84Å; F28-F106 HydrophobicContact CD2-CD2 3.84Å; F28-F106 AromaticContact CD2-CE2 3.91Å; F28-F106 HydrophobicContact CD2-CE2 3.91Å; F28-F106 HydrophobicContact CD2-CG 4.22Å; F28-F106 HydrophobicContact CD2-CZ 4.32Å; F28-F106 HydrophobicContact CG-CG 4.46Å; F28-F106 VanDerWaalsContact N-CE1 3.34Å; Y32-F106 AromaticContact CD2-CE2 3.92Å; Y32-F106 HydrophobicContact CD2-CE2 3.92Å; Y32-F106 AromaticContact CD2-CZ 3.79Å; Y32-F106 HydrophobicContact CD2-CZ 3.79Å; Y32-F106 AromaticContact CE2-CE2 3.81Å; Y32-F106 HydrophobicContact CE2-CE2 3.81Å; Y32-F106 AromaticContact CE2-CZ 3.66Å; Y32-F106 HydrophobicContact CE2-CZ 3.66Å; D104-F106 HydrophobicContact CB-CE2 3.96Å; D104-F106 HydrophobicContact CB-CZ 4.5Å; D104-F106 WeakPolarHBondContact OD2-CZ 3.48Å; F106-F112 CarbonylContact O-C 3.59Å; F106-F112 WeakPolarHBondContact O-CA 3.35Å; F106-M113 HydrophobicContact CB-CB 4.22Å; F106-M113 PolarHBondContact N-O 2.78Å; F106-M113 PolarHBondContact O-N 3.15Å; F106-V115 HydrophobicContact CD2-CG2 4.11Å; F106-V115 HydrophobicContact CE2-CG2 3.7Å
107	E	94.4	Very high	95.6	Very high	69 Å²	69	33.6 Å²	33.6	32%	0.322	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.6	173.3	-179.2	166.6	-164.4	0	0	109.2	K23 R65 F112	K23-E107 PolarHBondContact O-N 2.81Å; R65-E107 IonicContact CZ-OE1 3.42Å; R65-E107 VanDerWaalsContact CZ-OE1 3.24Å; R65-E107 IonicContact NH1-OE1 3.61Å; R65-E107 PolarHBondContact NH1-OE1 2.77Å; R65-E107 IonicContact NH2-OE1 3.72Å; R65-E107 PolarHBondContact NH2-OE1 3.13Å; E107-F112 HydrophobicContact CB-CD1 4.09Å; E107-F112 HydrophobicContact CB-CE1 3.87Å; E107-F112 HydrophobicContact CG-CD1 4.17Å; E107-F112 HydrophobicContact CG-CE1 3.59Å; E107-F112 HydrophobicContact CG-CZ 4.14Å
108	T	90.1	Very high	95.7	Very high	18 Å²	18	32.6 Å²	32.6	11%	0.11	15%	0.151	C	C	.	.			trans	-116.9	173.9	175.2	83.6	0	0	0	0	110.2	R25 R65 E110 G111 M113	R25-T108 HydrophobicContact CB-CG2 4.13Å; R65-T108 PolarHBondContact NH2-O 2.83Å; T108-E110 VanDerWaalsContact CB-OE2 3.31Å; T108-E110 WeakPolarHBondContact CB-OE2 3.32Å; T108-E110 PolarHBondContact O-N 3.42Å; T108-E110 PolarHBondContact OG1-N 2.79Å; T108-E110 PolarHBondContact OG1-OE2 3.26Å; T108-G111 PolarHBondContact N-O 2.87Å; T108-G111 PolarHBondContact O-N 3.42Å; T108-G111 PolarHBondContact OG1-N 3.09Å; T108-M113 HydrophobicContact CG2-CG 4.23Å; T108-M113 HydrophobicContact CG2-SD 3.92Å
109	Q	88	Confident	95.6	Very high	180 Å²	180	32.9 Å²	32.9	84%	0.841	15%	0.152	S	C	*	.	S	Bend	trans	-61.8	-34.5	174.1	-65.4	-174.6	9.2	0	0	111.4
110	E	87.4	Confident	95.4	Very high	111 Å²	111	36.1 Å²	36.1	52%	0.519	17%	0.169	S	C	.	.	S	Bend	trans	-84.3	-22.3	-176	-52.8	80.6	-175.4	0	0	113.5	R65 T108	R65-E110 PolarHBondContact N-O 3.42Å; R65-E110 VanDerWaalsContact N-O 3.09Å; T108-E110 VanDerWaalsContact CB-OE2 3.31Å; T108-E110 WeakPolarHBondContact CB-OE2 3.32Å; T108-E110 PolarHBondContact O-N 3.42Å; T108-E110 PolarHBondContact OG1-N 2.79Å; T108-E110 PolarHBondContact OG1-OE2 3.26Å
111	G	93.5	Very high	95.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162	-138.7	-177.5	0	0	0	0	0	113.8	I63 T108	I63-G111 CarbonylContact O-C 3.12Å; I63-G111 VanDerWaalsContact O-CA 3.31Å; I63-G111 WeakPolarHBondContact O-CA 3.47Å; T108-G111 PolarHBondContact N-O 2.87Å; T108-G111 PolarHBondContact O-N 3.42Å; T108-G111 PolarHBondContact OG1-N 3.09Å
112	F	96.1	Very high	95.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.5	-174.2	-61.7	-84.6	0	0	0	110.9	V62 I63 R65 V68 W71 P81 W105 F106 E107 L114	V62-F112 CarbonylContact C-O 3.59Å; V62-F112 WeakPolarHBondContact CA-O 3.36Å; I63-F112 HydrophobicContact CB-CB 4.46Å; I63-F112 PolarHBondContact N-O 2.82Å; I63-F112 PolarHBondContact O-N 2.98Å; R65-F112 HydrophobicContact CG-CE2 4.39Å; V68-F112 HydrophobicContact CG2-CD2 3.82Å; V68-F112 HydrophobicContact CG2-CE2 3.91Å; W71-F112 HydrophobicContact CH2-CE1 4.44Å; W71-F112 AromaticContact CH2-CE2 3.39Å; W71-F112 HydrophobicContact CH2-CE2 3.39Å; W71-F112 AromaticContact CH2-CZ 3.26Å; W71-F112 HydrophobicContact CH2-CZ 3.26Å; W71-F112 HydrophobicContact CZ2-CE2 4.24Å; W71-F112 HydrophobicContact CZ2-CZ 4.46Å; W71-F112 HydrophobicContact CZ3-CE1 4.24Å; W71-F112 AromaticContact CZ3-CE2 3.9Å; W71-F112 HydrophobicContact CZ3-CE2 3.9Å; W71-F112 AromaticContact CZ3-CZ 3.42Å; W71-F112 HydrophobicContact CZ3-CZ 3.42Å; W71-F112 VanDerWaalsContact CZ3-CZ 3.42Å; P81-F112 HydrophobicContact CG-CB 4.09Å; P81-F112 HydrophobicContact CG-CD1 3.65Å; P81-F112 HydrophobicContact CG-CD2 3.47Å; P81-F112 VanDerWaalsContact CG-CD2 3.47Å; P81-F112 HydrophobicContact CG-CE1 3.93Å; P81-F112 HydrophobicContact CG-CE2 3.78Å; P81-F112 HydrophobicContact CG-CG 3.41Å; P81-F112 VanDerWaalsContact CG-CG 3.41Å; P81-F112 HydrophobicContact CG-CZ 4.01Å; W105-F112 HydrophobicContact CE3-CD1 4.07Å; W105-F112 AromaticContact CZ3-CD1 3.81Å; W105-F112 HydrophobicContact CZ3-CD1 3.81Å; W105-F112 AromaticContact CZ3-CE1 3.91Å; W105-F112 HydrophobicContact CZ3-CE1 3.91Å; F106-F112 CarbonylContact O-C 3.59Å; F106-F112 WeakPolarHBondContact O-CA 3.35Å; E107-F112 HydrophobicContact CB-CD1 4.09Å; E107-F112 HydrophobicContact CB-CE1 3.87Å; E107-F112 HydrophobicContact CG-CD1 4.17Å; E107-F112 HydrophobicContact CG-CE1 3.59Å; E107-F112 HydrophobicContact CG-CZ 4.14Å; F112-L114 HydrophobicContact CB-CD1 4.32Å
113	M	97.3	Very high	95.2	Very high	17 Å²	17	36.8 Å²	36.8	8%	0.084	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.6	174.4	-50.4	178	64.2	0	0	109	F28 L34 I60 K61 V62 W105 F106 T108	F28-M113 HydrophobicContact CD1-CE 3.92Å; F28-M113 HydrophobicContact CD1-SD 4.21Å; F28-M113 HydrophobicContact CD2-CE 3.99Å; F28-M113 HydrophobicContact CD2-SD 4.37Å; F28-M113 HydrophobicContact CE1-CE 3.56Å; F28-M113 HydrophobicContact CE1-SD 4.44Å; F28-M113 HydrophobicContact CE2-CE 3.62Å; F28-M113 HydrophobicContact CG-CE 4.13Å; F28-M113 HydrophobicContact CG-SD 4.19Å; F28-M113 HydrophobicContact CZ-CE 3.41Å; F28-M113 VanDerWaalsContact CZ-CE 3.41Å; L34-M113 HydrophobicContact CD1-CE 4.44Å; I60-M113 HydrophobicContact CG2-CB 4.34Å; I60-M113 HydrophobicContact CG2-CE 3.67Å; K61-M113 CarbonylContact O-C 3.52Å; K61-M113 WeakPolarHBondContact O-CA 3.4Å; V62-M113 HydrophobicContact CG2-CE 4.27Å; V62-M113 HydrophobicContact CG2-CG 4.26Å; W105-M113 CarbonylContact C-O 3.56Å; W105-M113 VanDerWaalsContact CA-O 3.23Å; W105-M113 WeakPolarHBondContact CA-O 3.43Å; F106-M113 HydrophobicContact CB-CB 4.22Å; F106-M113 PolarHBondContact N-O 2.78Å; F106-M113 PolarHBondContact O-N 3.15Å; T108-M113 HydrophobicContact CG2-CG 4.23Å; T108-M113 HydrophobicContact CG2-SD 3.92Å
114	L	97.8	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.1	175.4	-74.9	66.1	0	0	0	108.3	I60 K61 I63 E83 V84 L87 L102 F112 L116	I60-L114 CarbonylContact C-O 3.58Å; I60-L114 VanDerWaalsContact CA-O 3.32Å; I60-L114 WeakPolarHBondContact CA-O 3.39Å; K61-L114 HydrophobicContact CB-CB 4.3Å; K61-L114 PolarHBondContact N-O 2.82Å; K61-L114 PolarHBondContact O-N 2.85Å; I63-L114 HydrophobicContact CD1-CD1 3.7Å; I63-L114 HydrophobicContact CD1-CD2 4.37Å; I63-L114 HydrophobicContact CG1-CD1 4.29Å; E83-L114 HydrophobicContact CG-CD2 3.99Å; V84-L114 HydrophobicContact CG2-CD1 3.79Å; V84-L114 HydrophobicContact CG2-CD2 3.96Å; V84-L114 HydrophobicContact CG2-CG 3.82Å; L87-L114 HydrophobicContact CD1-CD2 3.86Å; L102-L114 HydrophobicContact CD1-CB 4.02Å; L102-L114 HydrophobicContact CD1-CD2 4.35Å; L102-L114 HydrophobicContact CD1-CG 4.12Å; F112-L114 HydrophobicContact CB-CD1 4.32Å; L114-L116 HydrophobicContact CB-CD2 4.27Å; L114-L116 HydrophobicContact CB-CG 4.41Å
115	V	98.1	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.6	172.6	-176.4	0	0	0	0	108.4	Y32 V58 L103 D104 F106	Y32-V115 HydrophobicContact CD1-CG1 4.09Å; Y32-V115 HydrophobicContact CD1-CG2 4.5Å; Y32-V115 HydrophobicContact CD2-CG2 4.26Å; Y32-V115 HydrophobicContact CE1-CG1 3.6Å; Y32-V115 HydrophobicContact CE1-CG2 4.4Å; Y32-V115 HydrophobicContact CE2-CG2 4.18Å; Y32-V115 HydrophobicContact CG-CG2 4.44Å; V58-V115 HydrophobicContact CB-CG1 3.77Å; V58-V115 HydrophobicContact CG1-CG1 3.85Å; V58-V115 HydrophobicContact CG2-CG1 3.93Å; L103-V115 HydrophobicContact CB-CG1 4.2Å; L103-V115 WeakPolarHBondContact CB-O 3.31Å; L103-V115 HydrophobicContact CD1-CG1 4.4Å; L103-V115 PolarHBondContact N-O 3.44Å; D104-V115 HydrophobicContact CB-CB 3.91Å; D104-V115 HydrophobicContact CB-CG2 4.11Å; D104-V115 PolarHBondContact N-O 3.07Å; D104-V115 PolarHBondContact O-N 2.83Å; F106-V115 HydrophobicContact CD2-CG2 4.11Å; F106-V115 HydrophobicContact CE2-CG2 3.7Å
116	L	98.1	Very high	95.4	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.094	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	151.9	-173.9	-54.8	173.8	0	0	0	110.5	V58 A59 K61 L87 I100 R101 L102 L114	V58-L116 WeakPolarHBondContact CA-O 3.27Å; V58-L116 WeakPolarHBondContact CB-O 3.47Å; A59-L116 HydrophobicContact CB-CB 4.29Å; A59-L116 PolarHBondContact N-O 3.27Å; A59-L116 PolarHBondContact O-N 3.05Å; K61-L116 HydrophobicContact CB-CD1 4.23Å; L87-L116 HydrophobicContact CD1-CD2 3.91Å; I100-L116 HydrophobicContact CG1-CB 4.43Å; R101-L116 CarbonylContact O-C 3.57Å; R101-L116 WeakPolarHBondContact O-CA 3.28Å; L102-L116 HydrophobicContact CB-CD2 4.38Å; L102-L116 HydrophobicContact CD1-CD2 3.88Å; L114-L116 HydrophobicContact CB-CD2 4.27Å; L114-L116 HydrophobicContact CB-CG 4.41Å
117	E	96.8	Very high	95.4	Very high	49 Å²	49	44.7 Å²	44.7	23%	0.229	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	143.5	164.1	-179.8	-171.4	176.1	0	0	110.4	I100 R101 K179	I100-E117 HydrophobicContact CD1-CB 3.87Å; I100-E117 HydrophobicContact CD1-CG 4.23Å; I100-E117 WeakPolarHBondContact CD1-O 3.49Å; I100-E117 HydrophobicContact CG1-CB 4.22Å; R101-E117 HydrophobicContact CB-CB 4.16Å; R101-E117 PolarHBondContact O-N 2.73Å; E117-K179 VanDerWaalsContact CD-NZ 3.28Å; E117-K179 VanDerWaalsContact OE1-CE 3.27Å; E117-K179 WeakPolarHBondContact OE1-CE 3.48Å; E117-K179 IonicContact OE1-NZ 2.7Å; E117-K179 PolarHBondContact OE1-NZ 3.21Å; E117-K179 IonicContact OE2-NZ 2.65Å; E117-K179 PolarHBondContact OE2-NZ 2.88Å
118	R	97.1	Very high	95.6	Very high	51 Å²	51	43.9 Å²	43.9	19%	0.192	22%	0.221	C	C	.	.			trans	-133.6	98.5	174.5	-169.4	169.4	78.5	106.1	-0.1	111.8	V58 A59 L120	V58-R118 VanDerWaalsContact O-CD 3.28Å; V58-R118 WeakPolarHBondContact O-CD 3.3Å; V58-R118 PolarHBondContact O-NE 3.37Å; A59-R118 HydrophobicContact CB-CB 4.28Å; A59-R118 HydrophobicContact CB-CG 4.4Å; R118-L120 HydrophobicContact CG-CD2 4.45Å
119	P	95.3	Very high	96	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.058	22%	0.217	C	C	.	.			trans	-63.2	145.8	172.6	-17.7	30.4	0	0	0	111.6	I100 A122 L170 D172 K179	I100-P119 HydrophobicContact CD1-CG 4.46Å; P119-A122 HydrophobicContact CB-CB 4.12Å; P119-A122 VanDerWaalsContact O-CB 3.3Å; P119-A122 WeakPolarHBondContact O-CB 3.31Å; P119-L170 HydrophobicContact CG-CD2 3.99Å; P119-D172 HydrophobicContact CB-CB 3.98Å; P119-K179 HydrophobicContact CG-CD 3.59Å
120	L	94.1	Very high	96.4	Very high	75 Å²	75	39.3 Å²	39.3	39%	0.393	20%	0.204	S	C	.	.	S	Bend	trans	-147.3	129.6	-178.6	-68.2	173.1	0	0	0	113.8	Q57 R118 R174	Q57-L120 HydrophobicContact CB-CD1 3.63Å; Q57-L120 HydrophobicContact CG-CD1 3.63Å; R118-L120 HydrophobicContact CG-CD2 4.45Å; L120-R174 PolarHBondContact O-NE 3.14Å
121	P	96.3	Very high	96.9	Very high	64 Å²	64	40.4 Å²	40.4	42%	0.416	21%	0.21	S	C	.	.	S	Bend	cis	-66.9	150.4	-11.5	28.2	-34.6	0	0	0	112.2	L173	P121-L173 HydrophobicContact CB-CB 4.49Å; P121-L173 HydrophobicContact CB-CD1 4.35Å; P121-L173 HydrophobicContact CG-CB 4.13Å; P121-L173 PolarHBondContact O-N 3.12Å
122	A	96.1	Very high	97	Very high	37 Å²	37	46.8 Å²	46.8	31%	0.306	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.7	177	0	0	0	0	0	111.3	P119 L170 I171	P119-A122 HydrophobicContact CB-CB 4.12Å; P119-A122 VanDerWaalsContact O-CB 3.3Å; P119-A122 WeakPolarHBondContact O-CB 3.31Å; A122-L170 HydrophobicContact CB-CD1 4.02Å; A122-L170 HydrophobicContact CB-CD2 3.94Å; A122-L170 HydrophobicContact CB-CG 3.94Å; A122-I171 WeakPolarHBondContact CA-O 3.44Å; A122-I171 WeakPolarHBondContact CB-O 3.45Å
123	Q	96.4	Very high	97	Very high	32 Å²	32	48 Å²	48	15%	0.15	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.6	179.6	-174.2	176.3	19.3	0	0	107.6	D127 E131 I171 L173	Q123-D127 HydrophobicContact CG-CB 3.84Å; Q123-E131 PolarHBondContact NE2-OE1 3.48Å; Q123-E131 PolarHBondContact NE2-OE2 3.39Å; Q123-I171 PolarHBondContact N-O 2.67Å; Q123-I171 PolarHBondContact O-N 2.72Å; Q123-L173 HydrophobicContact CB-CD1 4.09Å; Q123-L173 HydrophobicContact CB-CG 4.46Å
124	D	97.3	Very high	96.9	Very high	45 Å²	45	50 Å²	50	24%	0.241	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	159.3	171.7	58	68.1	0	0	0	111.3	F126 D127 Y128 I169	D124-F126 VanDerWaalsContact C-N 3.27Å; D124-F126 PolarHBondContact O-N 3.39Å; D124-F126 WeakPolarHBondContact OD1-CB 3.44Å; D124-F126 PolarHBondContact OD1-N 3.14Å; D124-D127 WeakPolarHBondContact OD1-CB 3.38Å; D124-D127 PolarHBondContact OD1-N 2.81Å; D124-Y128 WeakPolarHBondContact O-CB 3.37Å; D124-Y128 PolarHBondContact O-N 2.89Å; D124-Y128 VanDerWaalsContact O-N 3.07Å; D124-I169 CarbonylContact C-O 3.54Å; D124-I169 WeakPolarHBondContact CA-O 3.41Å
125	L	98.3	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.4	-29.2	-174.6	-178.3	67.1	0	0	0	111.7	Y128 I129 L135 F143 D166 I169 I171 L227 M231	L125-Y128 HydrophobicContact CD1-CD1 4.35Å; L125-Y128 PolarHBondContact O-N 2.86Å; L125-I129 HydrophobicContact CD1-CD1 4.11Å; L125-I129 HydrophobicContact CD1-CG1 4.13Å; L125-I129 HydrophobicContact CD2-CD1 4.33Å; L125-I129 HydrophobicContact CG-CD1 3.78Å; L125-I129 HydrophobicContact CG-CG1 4.23Å; L125-I129 WeakPolarHBondContact O-CB 3.42Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.48Å; L125-I129 PolarHBondContact O-N 3.01Å; L125-L135 HydrophobicContact CD1-CD1 3.8Å; L125-F143 HydrophobicContact CD1-CD2 4.37Å; L125-D166 HydrophobicContact CB-CB 4.07Å; L125-D166 WeakPolarHBondContact CB-O 3.5Å; L125-D166 HydrophobicContact CD2-CB 4.04Å; L125-D166 HydrophobicContact CG-CB 4.02Å; L125-D166 PolarHBondContact N-O 3.38Å; L125-I169 HydrophobicContact CB-CB 3.97Å; L125-I169 HydrophobicContact CB-CG2 4.28Å; L125-I169 HydrophobicContact CD2-CB 4.22Å; L125-I169 HydrophobicContact CD2-CG2 4.34Å; L125-I169 PolarHBondContact N-O 3.29Å; L125-I171 HydrophobicContact CB-CD1 4.41Å; L125-I171 HydrophobicContact CD1-CD1 3.65Å; L125-I171 HydrophobicContact CD1-CG1 4.44Å; L125-L227 HydrophobicContact CD2-CD1 3.92Å; L125-M231 HydrophobicContact CD2-CE 3.32Å; L125-M231 HydrophobicContact CD2-CG 4.11Å
126	F	97.9	Very high	96.7	Very high	90 Å²	90	52.6 Å²	52.6	40%	0.395	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-54.2	175.4	174.5	-87.4	0	0	0	111.1	D124 Y128 I129 T130 D166 E167	D124-F126 VanDerWaalsContact C-N 3.27Å; D124-F126 PolarHBondContact O-N 3.39Å; D124-F126 WeakPolarHBondContact OD1-CB 3.44Å; D124-F126 PolarHBondContact OD1-N 3.14Å; F126-Y128 VanDerWaalsContact C-N 3.26Å; F126-Y128 PolarHBondContact O-N 3.48Å; F126-I129 PolarHBondContact O-N 2.71Å; F126-T130 WeakPolarHBondContact O-CB 3.33Å; F126-T130 PolarHBondContact O-N 3.03Å; F126-T130 PolarHBondContact O-OG1 2.99Å; F126-D166 WeakPolarHBondContact CA-OD2 3.35Å; F126-D166 HydrophobicContact CB-CB 4.33Å; F126-D166 WeakPolarHBondContact CB-OD2 3.43Å; F126-D166 WeakPolarHBondContact CD2-OD2 3.48Å; F126-E167 HydrophobicContact CB-CG 3.93Å; F126-E167 HydrophobicContact CD2-CG 4.19Å; F126-E167 HydrophobicContact CG-CG 4.1Å
127	D	97.6	Very high	96.7	Very high	73 Å²	73	53.4 Å²	53.4	39%	0.39	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-37.7	177	-82.6	-11.1	0	0	0	110.6	Q123 D124 T130 E131	Q123-D127 HydrophobicContact CG-CB 3.84Å; D124-D127 WeakPolarHBondContact OD1-CB 3.38Å; D124-D127 PolarHBondContact OD1-N 2.81Å; D127-T130 PolarHBondContact O-N 3.03Å; D127-E131 WeakPolarHBondContact O-CB 3.36Å; D127-E131 WeakPolarHBondContact O-CG 3.35Å; D127-E131 PolarHBondContact O-N 3.49Å
128	Y	97.7	Very high	96.7	Very high	52 Å²	52	53 Å²	53	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-44.2	178	-169.1	-96	0	0	0	112.6	D124 L125 F126 K132 L135 F143 I171 L173	D124-Y128 WeakPolarHBondContact O-CB 3.37Å; D124-Y128 PolarHBondContact O-N 2.89Å; D124-Y128 VanDerWaalsContact O-N 3.07Å; L125-Y128 HydrophobicContact CD1-CD1 4.35Å; L125-Y128 PolarHBondContact O-N 2.86Å; F126-Y128 VanDerWaalsContact C-N 3.26Å; F126-Y128 PolarHBondContact O-N 3.48Å; Y128-K132 HydrophobicContact CD1-CG 4.44Å; Y128-K132 HydrophobicContact CE1-CG 4.24Å; Y128-K132 HydrophobicContact CE2-CG 4.49Å; Y128-K132 VanDerWaalsContact O-CB 3.29Å; Y128-K132 WeakPolarHBondContact O-CB 3.32Å; Y128-K132 WeakPolarHBondContact O-CG 3.33Å; Y128-K132 PolarHBondContact O-N 3.09Å; Y128-K132 VanDerWaalsContact O-N 3.07Å; Y128-L135 HydrophobicContact CD1-CD1 4.17Å; Y128-L135 HydrophobicContact CD1-CD2 3.61Å; Y128-L135 HydrophobicContact CE1-CD1 4.28Å; Y128-L135 HydrophobicContact CE1-CD2 3.62Å; Y128-F143 HydrophobicContact CE1-CE2 4.11Å; Y128-I171 HydrophobicContact CD1-CD1 3.67Å; Y128-I171 HydrophobicContact CD2-CD1 3.92Å; Y128-I171 HydrophobicContact CE1-CD1 4.25Å; Y128-I171 HydrophobicContact CE2-CD1 4.46Å; Y128-I171 HydrophobicContact CG-CD1 3.49Å; Y128-I171 VanDerWaalsContact CG-CD1 3.49Å; Y128-L173 HydrophobicContact CD2-CD2 4.14Å; Y128-L173 HydrophobicContact CE2-CD2 3.99Å
129	I	98.1	Very high	96.7	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.036	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-43.5	174.8	-69.2	169.2	0	0	0	110.1	L125 F126 E131 K132 G133 L135 D166 D230 M231	L125-I129 HydrophobicContact CD1-CD1 4.11Å; L125-I129 HydrophobicContact CD1-CG1 4.13Å; L125-I129 HydrophobicContact CD2-CD1 4.33Å; L125-I129 HydrophobicContact CG-CD1 3.78Å; L125-I129 HydrophobicContact CG-CG1 4.23Å; L125-I129 WeakPolarHBondContact O-CB 3.42Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.48Å; L125-I129 PolarHBondContact O-N 3.01Å; F126-I129 PolarHBondContact O-N 2.71Å; I129-E131 VanDerWaalsContact C-N 3.27Å; I129-E131 PolarHBondContact O-N 3.2Å; I129-K132 PolarHBondContact O-N 3.31Å; I129-G133 VanDerWaalsContact O-CA 3.26Å; I129-G133 WeakPolarHBondContact O-CA 3.43Å; I129-G133 PolarHBondContact O-N 3.01Å; I129-L135 HydrophobicContact CD1-CD1 4.42Å; I129-L135 HydrophobicContact CG1-CD1 3.91Å; I129-L135 HydrophobicContact CG1-CD2 3.93Å; I129-L135 HydrophobicContact CG1-CG 3.91Å; I129-D166 HydrophobicContact CD1-CB 4.46Å; I129-D230 WeakPolarHBondContact CD1-OD2 3.35Å; I129-M231 HydrophobicContact CD1-CG 4.31Å
130	T	97.6	Very high	96.8	Very high	94 Å²	94	53.1 Å²	53.1	58%	0.577	31%	0.306	S	S	*	.	H	α-helix	trans	-56.8	-40.8	177.9	-63.3	0	0	0	0	111.9	F126 D127	F126-T130 WeakPolarHBondContact O-CB 3.33Å; F126-T130 PolarHBondContact O-N 3.03Å; F126-T130 PolarHBondContact O-OG1 2.99Å; D127-T130 PolarHBondContact O-N 3.03Å
131	E	96.9	Very high	97	Very high	134 Å²	134	51.1 Å²	51.1	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-78.7	-35.2	179.6	-73.3	179.4	177.5	0	0	114	Q123 D127 I129	Q123-E131 PolarHBondContact NE2-OE1 3.48Å; Q123-E131 PolarHBondContact NE2-OE2 3.39Å; D127-E131 WeakPolarHBondContact O-CB 3.36Å; D127-E131 WeakPolarHBondContact O-CG 3.35Å; D127-E131 PolarHBondContact O-N 3.49Å; I129-E131 VanDerWaalsContact C-N 3.27Å; I129-E131 PolarHBondContact O-N 3.2Å
132	K	95.5	Very high	97	Very high	135 Å²	135	51.4 Å²	51.4	59%	0.587	30%	0.296	S	S	*	.	H	α-helix	trans	-95.1	-19.5	-173.7	-62.6	-63	-179.4	-171.4	0	113.7	Y128 I129 L135	Y128-K132 HydrophobicContact CD1-CG 4.44Å; Y128-K132 HydrophobicContact CE1-CG 4.24Å; Y128-K132 HydrophobicContact CE2-CG 4.49Å; Y128-K132 VanDerWaalsContact O-CB 3.29Å; Y128-K132 WeakPolarHBondContact O-CB 3.32Å; Y128-K132 WeakPolarHBondContact O-CG 3.33Å; Y128-K132 PolarHBondContact O-N 3.09Å; Y128-K132 VanDerWaalsContact O-N 3.07Å; I129-K132 PolarHBondContact O-N 3.31Å; K132-L135 HydrophobicContact CB-CD2 4.12Å
133	G	96.8	Very high	97.1	Very high	25 Å²	25	50.4 Å²	50.4	26%	0.258	28%	0.284	S	S	.	.	S	Bend	trans	70.5	-160.8	-159.5	0	0	0	0	0	111.6	I129 L135	I129-G133 VanDerWaalsContact O-CA 3.26Å; I129-G133 WeakPolarHBondContact O-CA 3.43Å; I129-G133 PolarHBondContact O-N 3.01Å; G133-L135 PolarHBondContact O-N 3.34Å
134	P	96.4	Very high	97.2	Very high	59 Å²	59	48.9 Å²	48.9	38%	0.383	28%	0.277	S	S	.	.	S	Bend	trans	-55.3	133.2	177.8	-20.4	29.9	0	0	0	111.9	G136 V232 C233	P134-G136 VanDerWaalsContact C-N 3.28Å; P134-G136 PolarHBondContact O-N 2.98Å; P134-V232 WeakPolarHBondContact CB-O 3.21Å; P134-C233 WeakPolarHBondContact CG-O 3.29Å
135	L	96.1	Very high	97.3	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.11	27%	0.273	C	S	.	.			trans	-77.7	-11.2	-166.5	-54.7	-175.6	0	0	0	114.6	L125 Y128 I129 K132 G133 P139 F143 M231	L125-L135 HydrophobicContact CD1-CD1 3.8Å; Y128-L135 HydrophobicContact CD1-CD1 4.17Å; Y128-L135 HydrophobicContact CD1-CD2 3.61Å; Y128-L135 HydrophobicContact CE1-CD1 4.28Å; Y128-L135 HydrophobicContact CE1-CD2 3.62Å; I129-L135 HydrophobicContact CD1-CD1 4.42Å; I129-L135 HydrophobicContact CG1-CD1 3.91Å; I129-L135 HydrophobicContact CG1-CD2 3.93Å; I129-L135 HydrophobicContact CG1-CG 3.91Å; K132-L135 HydrophobicContact CB-CD2 4.12Å; G133-L135 PolarHBondContact O-N 3.34Å; L135-P139 HydrophobicContact CB-CB 4.3Å; L135-P139 WeakPolarHBondContact O-CG 3.3Å; L135-F143 HydrophobicContact CD1-CD2 4.15Å; L135-F143 HydrophobicContact CD1-CE2 4.38Å; L135-M231 HydrophobicContact CD1-CB 4.4Å; L135-M231 HydrophobicContact CD1-CG 4.39Å; L135-M231 PolarHBondContact N-O 2.7Å
136	G	95.6	Very high	97.3	Very high	34 Å²	34	49 Å²	49	35%	0.351	28%	0.28	S	S	.	.			trans	72.5	156.1	-168.2	0	0	0	0	0	112.4	P134 G138 P139 S140	P134-G136 VanDerWaalsContact C-N 3.28Å; P134-G136 PolarHBondContact O-N 2.98Å; G136-G138 PolarHBondContact O-N 3.46Å; G136-P139 WeakPolarHBondContact O-CD 3.46Å; G136-S140 WeakPolarHBondContact O-CB 3.45Å; G136-S140 PolarHBondContact O-N 2.93Å; G136-S140 VanDerWaalsContact O-N 3.07Å; G136-S140 PolarHBondContact O-OG 2.97Å
137	E	97.4	Very high	97.4	Very high	35 Å²	35	44.9 Å²	44.9	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-68.9	-31.5	-166.6	-67.2	-171	-166.4	0	0	115	R141 V232 S256 W285	E137-R141 WeakPolarHBondContact O-CB 3.41Å; E137-R141 PolarHBondContact O-N 3.31Å; E137-V232 HydrophobicContact CG-CG1 4.38Å; E137-S256 WeakPolarHBondContact OE1-CA 3.34Å; E137-S256 WeakPolarHBondContact OE1-CB 3.42Å; E137-S256 PolarHBondContact OE1-N 3.25Å; E137-S256 PolarHBondContact OE1-OG 3.29Å; E137-S256 WeakPolarHBondContact OE2-CB 3.37Å; E137-S256 PolarHBondContact OE2-OG 2.73Å; E137-W285 HydrophobicContact CB-CZ2 3.94Å; E137-W285 HydrophobicContact CG-CZ2 4.22Å; E137-W285 PolarHBondContact OE2-NE1 2.82Å
138	G	96.5	Very high	97.4	Very high	42 Å²	42	41.4 Å²	41.4	43%	0.433	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-58.3	177.8	0	0	0	0	0	112.3	G136 R141 C142	G136-G138 PolarHBondContact O-N 3.46Å; G138-R141 PolarHBondContact O-N 2.83Å; G138-C142 PolarHBondContact O-N 3.42Å; G138-C142 VanDerWaalsContact O-N 3.12Å
139	P	96.1	Very high	97.5	Very high	62 Å²	62	40.2 Å²	40.2	40%	0.403	25%	0.245	S	C	.	.	H	α-helix	trans	-58.3	-44.6	173.3	-28.1	37.6	0	0	0	113.3	L135 G136 R141 C142 F143	L135-P139 HydrophobicContact CB-CB 4.3Å; L135-P139 WeakPolarHBondContact O-CG 3.3Å; G136-P139 WeakPolarHBondContact O-CD 3.46Å; P139-R141 VanDerWaalsContact C-N 3.34Å; P139-R141 PolarHBondContact O-N 3.34Å; P139-C142 WeakPolarHBondContact O-CB 3.49Å; P139-C142 PolarHBondContact O-N 3.28Å; P139-C142 VanDerWaalsContact O-N 3.16Å; P139-F143 PolarHBondContact O-N 3.18Å
140	S	98.3	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-44.7	177.7	-58.8	0	0	0	0	111.7	G136 C142 F143 F144 M231	G136-S140 WeakPolarHBondContact O-CB 3.45Å; G136-S140 PolarHBondContact O-N 2.93Å; G136-S140 VanDerWaalsContact O-N 3.07Å; G136-S140 PolarHBondContact O-OG 2.97Å; S140-C142 VanDerWaalsContact C-N 3.32Å; S140-C142 PolarHBondContact O-N 3.11Å; S140-F143 PolarHBondContact O-N 3Å; S140-F144 WeakPolarHBondContact O-CB 3.38Å; S140-F144 PolarHBondContact O-N 3.19Å; S140-M231 WeakPolarHBondContact OG-CB 3.38Å; S140-M231 PolarHBondContact OG-O 3.2Å
141	R	98	Very high	97.5	Very high	32 Å²	32	35.6 Å²	35.6	12%	0.121	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-42	176.9	-170.4	-172	-54	142	10.3	111.8	E137 G138 P139 G145 W285 M286 T288 P289	E137-R141 WeakPolarHBondContact O-CB 3.41Å; E137-R141 PolarHBondContact O-N 3.31Å; G138-R141 PolarHBondContact O-N 2.83Å; P139-R141 VanDerWaalsContact C-N 3.34Å; P139-R141 PolarHBondContact O-N 3.34Å; R141-G145 PolarHBondContact O-N 3.11Å; R141-W285 VanDerWaalsContact CA-CH2 3.44Å; R141-W285 HydrophobicContact CB-CH2 3.63Å; R141-W285 HydrophobicContact CB-CZ2 3.96Å; R141-W285 HydrophobicContact CB-CZ3 3.99Å; R141-W285 WeakPolarHBondContact CD-O 3.45Å; R141-W285 HydrophobicContact CG-CE3 4.33Å; R141-W285 HydrophobicContact CG-CH2 4.21Å; R141-W285 HydrophobicContact CG-CZ3 4.07Å; R141-W285 PolarHBondContact NE-O 3.31Å; R141-M286 HydrophobicContact CG-CE 4.32Å; R141-M286 HydrophobicContact CG-SD 3.73Å; R141-T288 VanDerWaalsContact CZ-CB 3.49Å; R141-T288 PolarHBondContact NH1-O 3.47Å; R141-P289 PolarHBondContact NH1-O 2.88Å
142	C	96.9	Very high	97.6	Very high	71 Å²	71	32.2 Å²	32.2	48%	0.48	20%	0.201	S	C	.	.	H	α-helix	trans	-63.9	-49.8	178.7	-172.2	0	0	0	0	111.9	G138 P139 S140 Q146	G138-C142 PolarHBondContact O-N 3.42Å; G138-C142 VanDerWaalsContact O-N 3.12Å; P139-C142 WeakPolarHBondContact O-CB 3.49Å; P139-C142 PolarHBondContact O-N 3.28Å; P139-C142 VanDerWaalsContact O-N 3.16Å; S140-C142 VanDerWaalsContact C-N 3.32Å; S140-C142 PolarHBondContact O-N 3.11Å; C142-Q146 WeakPolarHBondContact O-CG 3.21Å; C142-Q146 PolarHBondContact O-N 2.83Å; C142-Q146 PolarHBondContact O-NE2 3.07Å; C142-Q146 PolarHBondContact SG-NE2 3.03Å; C142-Q146 VanDerWaalsContact SG-NE2 3.42Å
143	F	98.4	Very high	97.8	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.066	18%	0.18	C	C	.	.	H	α-helix	trans	-68.4	-45.1	178.6	-66.6	-38.3	0	0	0	111.8	L125 Y128 L135 P139 S140 G145 Q146 V147 I171 A178 M231	L125-F143 HydrophobicContact CD1-CD2 4.37Å; Y128-F143 HydrophobicContact CE1-CE2 4.11Å; L135-F143 HydrophobicContact CD1-CD2 4.15Å; L135-F143 HydrophobicContact CD1-CE2 4.38Å; P139-F143 PolarHBondContact O-N 3.18Å; S140-F143 PolarHBondContact O-N 3Å; F143-G145 VanDerWaalsContact C-N 3.35Å; F143-G145 PolarHBondContact O-N 3.35Å; F143-Q146 WeakPolarHBondContact O-CB 3.49Å; F143-Q146 PolarHBondContact O-N 3.2Å; F143-Q146 VanDerWaalsContact O-N 3.14Å; F143-V147 WeakPolarHBondContact O-CG2 3.33Å; F143-V147 PolarHBondContact O-N 3.35Å; F143-I171 HydrophobicContact CE1-CG1 4.48Å; F143-I171 HydrophobicContact CE1-CG2 4.04Å; F143-I171 HydrophobicContact CE2-CD1 4Å; F143-I171 HydrophobicContact CZ-CD1 4.02Å; F143-I171 HydrophobicContact CZ-CG1 4.32Å; F143-I171 HydrophobicContact CZ-CG2 3.96Å; F143-A178 HydrophobicContact CD1-CB 4.2Å; F143-M231 HydrophobicContact CB-CE 4.13Å; F143-M231 HydrophobicContact CB-SD 4.5Å
144	F	98.8	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-44.4	179.1	-171.9	-112.3	0	0	0	112	S140 Q146 V147 V148 L224 L228 M231 L262 I280 W285 M286	S140-F144 WeakPolarHBondContact O-CB 3.38Å; S140-F144 PolarHBondContact O-N 3.19Å; F144-Q146 VanDerWaalsContact C-N 3.33Å; F144-Q146 PolarHBondContact O-N 3.28Å; F144-V147 PolarHBondContact O-N 3.44Å; F144-V148 HydrophobicContact CD1-CG2 4.15Å; F144-V148 HydrophobicContact CD2-CG2 4.47Å; F144-V148 HydrophobicContact CE1-CG2 3.87Å; F144-V148 HydrophobicContact CE2-CG2 4.18Å; F144-V148 HydrophobicContact CG-CG2 4.45Å; F144-V148 HydrophobicContact CZ-CG2 3.88Å; F144-V148 VanDerWaalsContact O-CG2 3.29Å; F144-V148 WeakPolarHBondContact O-CG2 3.13Å; F144-V148 PolarHBondContact O-N 3.05Å; F144-L224 HydrophobicContact CD2-CD2 4.32Å; F144-L224 HydrophobicContact CE2-CB 3.93Å; F144-L224 HydrophobicContact CE2-CD2 3.6Å; F144-L224 HydrophobicContact CE2-CG 4.37Å; F144-L224 VanDerWaalsContact CE2-O 3.28Å; F144-L224 WeakPolarHBondContact CE2-O 3.02Å; F144-L224 HydrophobicContact CZ-CB 4.09Å; F144-L224 HydrophobicContact CZ-CD2 4.21Å; F144-L228 HydrophobicContact CB-CD1 4.3Å; F144-L228 HydrophobicContact CD1-CD1 4.34Å; F144-L228 HydrophobicContact CD1-CD2 4.22Å; F144-L228 HydrophobicContact CD2-CB 3.92Å; F144-L228 HydrophobicContact CD2-CD1 4.31Å; F144-L228 HydrophobicContact CE1-CD2 3.95Å; F144-L228 HydrophobicContact CE2-CB 3.73Å; F144-L228 HydrophobicContact CG-CB 4.46Å; F144-L228 HydrophobicContact CG-CD1 4.07Å; F144-L228 HydrophobicContact CZ-CB 4.1Å; F144-L228 HydrophobicContact CZ-CD2 4.12Å; F144-M231 HydrophobicContact CB-SD 4.18Å; F144-L262 HydrophobicContact CE1-CD2 4.24Å; F144-I280 HydrophobicContact CE1-CG2 3.53Å; F144-I280 HydrophobicContact CZ-CG2 4.07Å; F144-W285 HydrophobicContact CD1-CZ3 4.21Å; F144-M286 HydrophobicContact CD1-CE 4.25Å; F144-M286 HydrophobicContact CD1-SD 3.84Å
145	G	98.5	Very high	97.9	Very high	15 Å²	15	24.5 Å²	24.5	16%	0.155	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-40.4	175.3	0	0	0	0	0	113.4	R141 F143 A149	R141-G145 PolarHBondContact O-N 3.11Å; F143-G145 VanDerWaalsContact C-N 3.35Å; F143-G145 PolarHBondContact O-N 3.35Å; G145-A149 WeakPolarHBondContact O-CB 3.29Å; G145-A149 PolarHBondContact O-N 3.16Å
146	Q	98.6	Very high	98	Very high	33 Å²	33	27.6 Å²	27.6	15%	0.154	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-40.7	175.5	-69.6	178.1	57.8	0	0	112.1	C142 F143 F144 A150 G176 A178	C142-Q146 WeakPolarHBondContact O-CG 3.21Å; C142-Q146 PolarHBondContact O-N 2.83Å; C142-Q146 PolarHBondContact O-NE2 3.07Å; C142-Q146 PolarHBondContact SG-NE2 3.03Å; C142-Q146 VanDerWaalsContact SG-NE2 3.42Å; F143-Q146 WeakPolarHBondContact O-CB 3.49Å; F143-Q146 PolarHBondContact O-N 3.2Å; F143-Q146 VanDerWaalsContact O-N 3.14Å; F144-Q146 VanDerWaalsContact C-N 3.33Å; F144-Q146 PolarHBondContact O-N 3.28Å; Q146-A150 WeakPolarHBondContact O-CB 3.29Å; Q146-A150 PolarHBondContact O-N 3.38Å; Q146-G176 PolarHBondContact NE2-O 2.96Å; Q146-A178 HydrophobicContact CB-CB 4.14Å
147	V	98.9	Very high	98.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-65.7	-46	177.1	174.8	0	0	0	0	110.9	F143 F144 A149 A150 I151 I169 A178 L224 L227	F143-V147 WeakPolarHBondContact O-CG2 3.33Å; F143-V147 PolarHBondContact O-N 3.35Å; F144-V147 PolarHBondContact O-N 3.44Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 3.28Å; V147-A150 WeakPolarHBondContact O-CB 3.45Å; V147-A150 PolarHBondContact O-N 3.07Å; V147-I151 HydrophobicContact CG1-CD1 3.82Å; V147-I151 WeakPolarHBondContact O-CG1 3.32Å; V147-I151 PolarHBondContact O-N 2.91Å; V147-I169 HydrophobicContact CG1-CD1 4.03Å; V147-I169 HydrophobicContact CG2-CD1 3.76Å; V147-I169 HydrophobicContact CG2-CG1 4.12Å; V147-I169 HydrophobicContact CG2-CG2 4.09Å; V147-A178 HydrophobicContact CG2-CB 4.19Å; V147-L224 HydrophobicContact CG1-CD2 3.98Å; V147-L227 HydrophobicContact CG1-CD2 4.02Å
148	V	98.8	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-43.5	177.5	175.8	0	0	0	0	111	F144 A150 I151 Q152 L224 L277 I280 L281	F144-V148 HydrophobicContact CD1-CG2 4.15Å; F144-V148 HydrophobicContact CD2-CG2 4.47Å; F144-V148 HydrophobicContact CE1-CG2 3.87Å; F144-V148 HydrophobicContact CE2-CG2 4.18Å; F144-V148 HydrophobicContact CG-CG2 4.45Å; F144-V148 HydrophobicContact CZ-CG2 3.88Å; F144-V148 VanDerWaalsContact O-CG2 3.29Å; F144-V148 WeakPolarHBondContact O-CG2 3.13Å; F144-V148 PolarHBondContact O-N 3.05Å; V148-A150 PolarHBondContact O-N 3.38Å; V148-I151 PolarHBondContact O-N 3.38Å; V148-Q152 WeakPolarHBondContact O-CG 3.2Å; V148-Q152 PolarHBondContact O-N 2.94Å; V148-L224 HydrophobicContact CG2-CD1 4.15Å; V148-L224 HydrophobicContact CG2-CD2 3.97Å; V148-L277 HydrophobicContact CG1-CB 4.23Å; V148-L277 HydrophobicContact CG1-CD2 4.36Å; V148-I280 HydrophobicContact CG1-CG2 4.33Å; V148-I280 HydrophobicContact CG2-CG2 3.97Å; V148-L281 HydrophobicContact CB-CD2 3.95Å; V148-L281 HydrophobicContact CB-CG 4.43Å; V148-L281 HydrophobicContact CG1-CD1 4.18Å; V148-L281 HydrophobicContact CG1-CD2 3.77Å; V148-L281 HydrophobicContact CG1-CG 3.69Å
149	A	98.6	Very high	98.2	Very high	27 Å²	27	27 Å²	27	22%	0.223	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-40.9	175.8	0	0	0	0	0	112.7	G145 V147 I151 Q152 H153	G145-A149 WeakPolarHBondContact O-CB 3.29Å; G145-A149 PolarHBondContact O-N 3.16Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 3.28Å; A149-I151 VanDerWaalsContact C-N 3.34Å; A149-I151 PolarHBondContact O-N 2.84Å; A149-Q152 PolarHBondContact O-N 3.33Å; A149-H153 PolarHBondContact O-N 3.33Å; A149-H153 VanDerWaalsContact O-N 3.09Å
150	A	98.7	Very high	98.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-40	175.3	0	0	0	0	0	112.3	G98 V99 Q146 V147 V148 H153 C154	G98-A150 VanDerWaalsContact O-CB 3.28Å; G98-A150 WeakPolarHBondContact O-CB 3.27Å; V99-A150 HydrophobicContact CG2-CB 3.93Å; Q146-A150 WeakPolarHBondContact O-CB 3.29Å; Q146-A150 PolarHBondContact O-N 3.38Å; V147-A150 WeakPolarHBondContact O-CB 3.45Å; V147-A150 PolarHBondContact O-N 3.07Å; V148-A150 PolarHBondContact O-N 3.38Å; A150-H153 WeakPolarHBondContact O-CB 3.35Å; A150-H153 PolarHBondContact O-N 2.85Å; A150-C154 PolarHBondContact O-N 3.07Å; A150-C154 PolarHBondContact O-SG 3.33Å
151	I	98.8	Very high	98.3	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-68.7	-41.4	177	-69.1	166.1	0	0	0	111.4	V147 V148 A149 H153 C154 H155 I164 L180 T220 L224 L277	V147-I151 HydrophobicContact CG1-CD1 3.82Å; V147-I151 WeakPolarHBondContact O-CG1 3.32Å; V147-I151 PolarHBondContact O-N 2.91Å; V148-I151 PolarHBondContact O-N 3.38Å; A149-I151 VanDerWaalsContact C-N 3.34Å; A149-I151 PolarHBondContact O-N 2.84Å; I151-H153 PolarHBondContact O-N 3.43Å; I151-C154 WeakPolarHBondContact O-CB 3.48Å; I151-C154 PolarHBondContact O-N 3.16Å; I151-C154 VanDerWaalsContact O-N 3.11Å; I151-H155 PolarHBondContact O-CD2 3Å; I151-H155 PolarHBondContact O-N 3.02Å; I151-I164 HydrophobicContact CD1-CD1 3.71Å; I151-I164 HydrophobicContact CD1-CG1 3.9Å; I151-I164 HydrophobicContact CD1-CG2 4.29Å; I151-I164 HydrophobicContact CG1-CD1 3.92Å; I151-L180 HydrophobicContact CG1-CD2 4.4Å; I151-T220 HydrophobicContact CD1-CG2 4.3Å; I151-T220 HydrophobicContact CG2-CG2 3.52Å; I151-L224 HydrophobicContact CD1-CD1 3.97Å; I151-L224 HydrophobicContact CD1-CD2 3.68Å; I151-L224 HydrophobicContact CD1-CG 3.97Å; I151-L277 HydrophobicContact CG2-CD1 3.81Å; I151-L277 HydrophobicContact CG2-CD2 4.28Å
152	Q	98.5	Very high	98.3	Very high	63 Å²	63	24 Å²	24	29%	0.294	15%	0.145	S	C	.	.	H	α-helix	trans	-55.3	-43.5	172.9	-77.7	-177.8	-39.6	0	0	111	V148 A149 H155 A156 L277	V148-Q152 WeakPolarHBondContact O-CG 3.2Å; V148-Q152 PolarHBondContact O-N 2.94Å; A149-Q152 PolarHBondContact O-N 3.33Å; Q152-H155 PolarHBondContact O-N 3.45Å; Q152-A156 WeakPolarHBondContact O-CB 3.29Å; Q152-A156 PolarHBondContact O-N 2.81Å; Q152-L277 HydrophobicContact CB-CD1 4.39Å; Q152-L277 HydrophobicContact CG-CB 3.52Å; Q152-L277 HydrophobicContact CG-CD1 3.61Å; Q152-L277 HydrophobicContact CG-CG 4.19Å
153	H	98.5	Very high	98.4	Very high	29 Å²	29	20.7 Å²	20.7	13%	0.134	12%	0.122	C	C	.	.	H	α-helix	trans	-61.1	-46.9	174	174.4	85.4	0	0	0	112.4	V90 H96 A149 A150 I151 H155 A156 R157	V90-H153 PolarHBondContact O-NE2 3.41Å; H96-H153 HydrophobicContact CB-CB 3.91Å; H96-H153 VanDerWaalsContact CB-CD2 3.43Å; H96-H153 WeakPolarHBondContact CB-CD2 3.14Å; H96-H153 VanDerWaalsContact CB-CG 3.44Å; A149-H153 PolarHBondContact O-N 3.33Å; A149-H153 VanDerWaalsContact O-N 3.09Å; A150-H153 WeakPolarHBondContact O-CB 3.35Å; A150-H153 PolarHBondContact O-N 2.85Å; I151-H153 PolarHBondContact O-N 3.43Å; H153-H155 PolarHBondContact O-N 3.01Å; H153-A156 PolarHBondContact O-N 2.99Å; H153-R157 WeakPolarHBondContact O-CG 3.36Å; H153-R157 PolarHBondContact O-N 3.12Å; H153-R157 VanDerWaalsContact O-N 3.11Å
154	C	98.7	Very high	98.4	Very high	1 Å²	1	20 Å²	20	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-56.2	-48.6	176.3	-67.8	0	0	0	0	111.8	V90 A150 I151 A156 R157 G158 V159	V90-C154 HydrophobicContact CG1-CB 4.27Å; A150-C154 PolarHBondContact O-N 3.07Å; A150-C154 PolarHBondContact O-SG 3.33Å; I151-C154 WeakPolarHBondContact O-CB 3.48Å; I151-C154 PolarHBondContact O-N 3.16Å; I151-C154 VanDerWaalsContact O-N 3.11Å; C154-A156 PolarHBondContact O-N 3.38Å; C154-R157 CarbonylContact O-C 3.46Å; C154-R157 WeakPolarHBondContact O-CA 3.28Å; C154-R157 PolarHBondContact O-N 2.83Å; C154-G158 PolarHBondContact O-N 3.4Å; C154-V159 CarbonylContact C-O 3.47Å; C154-V159 PolarHBondContact O-N 2.79Å; C154-V159 VanDerWaalsContact O-O 3.07Å
155	H	98.1	Very high	98.4	Very high	27 Å²	27	20.9 Å²	20.9	13%	0.125	12%	0.123	C	C	.	.	H	α-helix	trans	-63.3	-41.5	179.2	-77.7	-149.3	0	0	0	111.7	I151 Q152 H153 R157 G158 V159 L189	I151-H155 PolarHBondContact O-CD2 3Å; I151-H155 PolarHBondContact O-N 3.02Å; Q152-H155 PolarHBondContact O-N 3.45Å; H153-H155 PolarHBondContact O-N 3.01Å; H155-R157 PolarHBondContact O-N 3.4Å; H155-R157 VanDerWaalsContact O-N 3.16Å; H155-G158 PolarHBondContact O-N 3.1Å; H155-V159 PolarHBondContact CD2-O 3.32Å; H155-V159 PolarHBondContact N-O 2.96Å; H155-L189 HydrophobicContact CB-CD2 4.22Å
156	A	97.6	Very high	98.3	Very high	86 Å²	86	20.7 Å²	20.7	71%	0.711	12%	0.118	S	C	*	.	H	α-helix	trans	-62.5	-20.9	175.2	0	0	0	0	0	112.9	Q152 H153 C154	Q152-A156 WeakPolarHBondContact O-CB 3.29Å; Q152-A156 PolarHBondContact O-N 2.81Å; H153-A156 PolarHBondContact O-N 2.99Å; C154-A156 PolarHBondContact O-N 3.38Å
157	R	97.8	Very high	98.3	Very high	76 Å²	76	23.5 Å²	23.5	29%	0.287	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	9.3	173.2	-62	-57.7	-172.9	80.1	-0.6	113.9	K89 V90 A92 H153 C154 H155 V159	K89-R157 PolarHBondContact O-NH1 3.09Å; V90-R157 HydrophobicContact CG1-CB 4.4Å; A92-R157 VanDerWaalsContact C-NH1 3.35Å; A92-R157 PolarHBondContact O-NH1 3.27Å; A92-R157 PolarHBondContact O-NH2 2.82Å; H153-R157 WeakPolarHBondContact O-CG 3.36Å; H153-R157 PolarHBondContact O-N 3.12Å; H153-R157 VanDerWaalsContact O-N 3.11Å; C154-R157 CarbonylContact O-C 3.46Å; C154-R157 WeakPolarHBondContact O-CA 3.28Å; C154-R157 PolarHBondContact O-N 2.83Å; H155-R157 PolarHBondContact O-N 3.4Å; H155-R157 VanDerWaalsContact O-N 3.16Å; R157-V159 VanDerWaalsContact C-N 3.34Å
158	G	97.9	Very high	98.3	Very high	23 Å²	23	23.8 Å²	23.8	24%	0.237	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	32.8	179.7	0	0	0	0	0	112.9	C154 H155 L189	C154-G158 PolarHBondContact O-N 3.4Å; H155-G158 PolarHBondContact O-N 3.1Å; G158-L189 VanDerWaalsContact C-CB 3.47Å; G158-L189 PolarHBondContact O-N 3.22Å
159	V	98.6	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.9	179.4	174	0	0	0	0	109.8	L86 K89 V90 C154 H155 R157 F183	L86-V159 HydrophobicContact CB-CG1 4.1Å; L86-V159 HydrophobicContact CD2-CG1 4.06Å; L86-V159 HydrophobicContact CD2-CG2 3.95Å; L86-V159 HydrophobicContact CG-CG1 4.43Å; K89-V159 HydrophobicContact CB-CG2 4.02Å; V90-V159 HydrophobicContact CG1-CB 3.79Å; V90-V159 HydrophobicContact CG1-CG1 3.95Å; V90-V159 HydrophobicContact CG1-CG2 3.83Å; C154-V159 CarbonylContact C-O 3.47Å; C154-V159 PolarHBondContact O-N 2.79Å; C154-V159 VanDerWaalsContact O-O 3.07Å; H155-V159 PolarHBondContact CD2-O 3.32Å; H155-V159 PolarHBondContact N-O 2.96Å; R157-V159 VanDerWaalsContact C-N 3.34Å; V159-F183 HydrophobicContact CG1-CD1 3.88Å; V159-F183 HydrophobicContact CG1-CE1 3.83Å
160	V	98.3	Very high	98.2	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.1	169.7	58.4	0	0	0	0	109.4	R162 G186 A187 L189 Y194 A216	V160-R162 HydrophobicContact CB-CG 4.37Å; V160-R162 HydrophobicContact CG1-CG 3.91Å; V160-R162 HydrophobicContact CG2-CG 3.75Å; V160-G186 CarbonylContact O-C 3.59Å; V160-G186 WeakPolarHBondContact O-CA 3.44Å; V160-A187 HydrophobicContact CG1-CB 3.83Å; V160-A187 WeakPolarHBondContact CG1-O 3.2Å; V160-A187 PolarHBondContact N-O 2.87Å; V160-A187 PolarHBondContact O-N 3.4Å; V160-L189 HydrophobicContact CB-CD1 4.45Å; V160-Y194 HydrophobicContact CG1-CE1 4.41Å; V160-A216 HydrophobicContact CB-CB 4.21Å; V160-A216 HydrophobicContact CG1-CB 4.49Å; V160-A216 HydrophobicContact CG2-CB 3.86Å
161	H	98.4	Very high	98.2	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.023	13%	0.131	C	C	.	.			trans	-77.1	-40	-175.3	-167	-88.8	0	0	0	113.6	D163 I164 L180 I181 D182 F183 G186	H161-D163 PolarHBondContact CE1-O 3.42Å; H161-D163 PolarHBondContact ND1-N 3.46Å; H161-D163 PolarHBondContact ND1-O 2.95Å; H161-D163 PolarHBondContact O-N 2.85Å; H161-I164 HydrophobicContact CB-CD1 3.68Å; H161-I164 HydrophobicContact CB-CG1 4.26Å; H161-L180 HydrophobicContact CB-CD2 4.32Å; H161-L180 VanDerWaalsContact CD2-CD2 3.43Å; H161-L180 WeakPolarHBondContact CD2-CD2 3.38Å; H161-I181 PolarHBondContact CE1-O 3.49Å; H161-I181 PolarHBondContact NE2-O 3.34Å; H161-D182 PolarHBondContact CE1-O 2.92Å; H161-D182 PolarHBondContact NE2-O 3.42Å; H161-F183 AromaticContact CD2-CD1 3.85Å; H161-F183 AromaticContact CD2-CD2 3.92Å; H161-F183 AromaticContact CD2-CE1 3.78Å; H161-F183 AromaticContact CD2-CE2 3.84Å; H161-F183 AromaticContact CD2-CG 3.93Å; H161-F183 AromaticContact CD2-CZ 3.77Å; H161-F183 AromaticContact NE2-CD2 3.94Å; H161-G186 VanDerWaalsContact O-CA 3.31Å; H161-G186 WeakPolarHBondContact O-CA 3.45Å; H161-G186 PolarHBondContact O-N 3.12Å
162	R	97.9	Very high	98.1	Very high	24 Å²	24	24.5 Å²	24.5	9%	0.091	13%	0.133	C	C	.	.	S	Bend	trans	62.7	-9.6	179.4	-52.7	-161.4	-64.5	173	3.9	118	V160 S185 D196 Y214	V160-R162 HydrophobicContact CB-CG 4.37Å; V160-R162 HydrophobicContact CG1-CG 3.91Å; V160-R162 HydrophobicContact CG2-CG 3.75Å; R162-S185 VanDerWaalsContact CZ-O 3.24Å; R162-S185 PolarHBondContact NE-O 3.32Å; R162-S185 PolarHBondContact NH2-O 2.97Å; R162-D196 IonicContact CZ-OD2 2.8Å; R162-D196 PolarHBondContact NH1-O 3.27Å; R162-D196 IonicContact NH1-OD1 3.55Å; R162-D196 IonicContact NH1-OD2 3.31Å; R162-D196 PolarHBondContact NH1-OD2 3.13Å; R162-D196 IonicContact NH2-OD2 2.78Å; R162-D196 PolarHBondContact NH2-OD2 2.92Å; R162-Y214 VanDerWaalsContact CD-OH 3.27Å; R162-Y214 WeakPolarHBondContact CD-OH 3.2Å; R162-Y214 PolarHBondContact NH1-OH 3.29Å
163	D	97.8	Very high	97.9	Very high	2 Å²	2	25 Å²	25	1%	0.011	14%	0.137	C	C	.	.			trans	-130.6	55.9	174.8	-162.1	36	0	0	0	112.1	H161 K165 N168 T200	H161-D163 PolarHBondContact CE1-O 3.42Å; H161-D163 PolarHBondContact ND1-N 3.46Å; H161-D163 PolarHBondContact ND1-O 2.95Å; H161-D163 PolarHBondContact O-N 2.85Å; D163-K165 PolarHBondContact O-N 3.39Å; D163-K165 VanDerWaalsContact OD2-CE 3.31Å; D163-K165 WeakPolarHBondContact OD2-CE 3.44Å; D163-K165 IonicContact OD2-NZ 2.92Å; D163-N168 PolarHBondContact O-ND2 3.39Å; D163-N168 PolarHBondContact OD2-ND2 3.36Å; D163-T200 VanDerWaalsContact OD1-CB 3.26Å; D163-T200 WeakPolarHBondContact OD1-CB 3.35Å; D163-T200 PolarHBondContact OD1-N 3.22Å; D163-T200 PolarHBondContact OD1-OG1 3.42Å
164	I	98.5	Very high	97.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.165	C	C	.	.			trans	-76.4	115.1	175.5	-59.1	-61	0	0	0	108.8	I151 H161 L180 Y203 L224 L227	I151-I164 HydrophobicContact CD1-CD1 3.71Å; I151-I164 HydrophobicContact CD1-CG1 3.9Å; I151-I164 HydrophobicContact CD1-CG2 4.29Å; I151-I164 HydrophobicContact CG1-CD1 3.92Å; H161-I164 HydrophobicContact CB-CD1 3.68Å; H161-I164 HydrophobicContact CB-CG1 4.26Å; I164-L180 HydrophobicContact CD1-CD1 3.57Å; I164-L180 HydrophobicContact CD1-CD2 3.95Å; I164-L180 HydrophobicContact CD1-CG 4.43Å; I164-Y203 WeakPolarHBondContact O-CD1 3.45Å; I164-L224 HydrophobicContact CG2-CD2 4.34Å; I164-L227 HydrophobicContact CG2-CD2 3.9Å
165	K	98.4	Very high	97.3	Very high	18 Å²	18	41.2 Å²	41.2	8%	0.078	20%	0.197	C	C	.	.	S	Bend	trans	-160.5	164.2	177	56.6	173.7	178	173	0	109.8	D163 E167 N168 I169 T200 Y203	D163-K165 PolarHBondContact O-N 3.39Å; D163-K165 VanDerWaalsContact OD2-CE 3.31Å; D163-K165 WeakPolarHBondContact OD2-CE 3.44Å; D163-K165 IonicContact OD2-NZ 2.92Å; K165-E167 VanDerWaalsContact C-N 3.35Å; K165-E167 HydrophobicContact CD-CB 4.1Å; K165-E167 HydrophobicContact CD-CG 4.43Å; K165-E167 WeakPolarHBondContact CD-OE1 3.3Å; K165-E167 WeakPolarHBondContact CE-OE1 3.44Å; K165-E167 HydrophobicContact CG-CB 4.28Å; K165-E167 IonicContact NZ-OE1 2.72Å; K165-E167 PolarHBondContact NZ-OE1 3.01Å; K165-E167 IonicContact NZ-OE2 3.56Å; K165-E167 PolarHBondContact O-N 2.95Å; K165-N168 HydrophobicContact CG-CB 4.2Å; K165-N168 PolarHBondContact O-N 3.1Å; K165-I169 WeakPolarHBondContact O-CG1 3.38Å; K165-T200 HydrophobicContact CD-CG2 4.36Å; K165-T200 WeakPolarHBondContact CD-OG1 3.39Å; K165-T200 VanDerWaalsContact CE-OG1 3.25Å; K165-T200 WeakPolarHBondContact CE-OG1 3.47Å; K165-T200 PolarHBondContact NZ-OG1 2.88Å; K165-Y203 HydrophobicContact CB-CD1 4.03Å; K165-Y203 HydrophobicContact CB-CD2 3.99Å; K165-Y203 HydrophobicContact CB-CE1 3.64Å; K165-Y203 HydrophobicContact CB-CE2 3.62Å; K165-Y203 HydrophobicContact CB-CG 4.19Å; K165-Y203 VanDerWaalsContact CB-CZ 3.42Å
166	D	98.3	Very high	97	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.053	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-54	-42.5	178.4	59.4	-22.1	0	0	0	114	L125 F126 I129 N168 I169 Y203 L227	L125-D166 HydrophobicContact CB-CB 4.07Å; L125-D166 WeakPolarHBondContact CB-O 3.5Å; L125-D166 HydrophobicContact CD2-CB 4.04Å; L125-D166 HydrophobicContact CG-CB 4.02Å; L125-D166 PolarHBondContact N-O 3.38Å; F126-D166 WeakPolarHBondContact CA-OD2 3.35Å; F126-D166 HydrophobicContact CB-CB 4.33Å; F126-D166 WeakPolarHBondContact CB-OD2 3.43Å; F126-D166 WeakPolarHBondContact CD2-OD2 3.48Å; I129-D166 HydrophobicContact CD1-CB 4.46Å; D166-N168 PolarHBondContact O-N 3.29Å; D166-N168 VanDerWaalsContact O-N 3.1Å; D166-I169 PolarHBondContact O-N 2.97Å; D166-Y203 PolarHBondContact OD1-OH 3.2Å; D166-L227 HydrophobicContact CB-CD1 4.06Å
167	E	97.4	Very high	96.9	Very high	92 Å²	92	39.2 Å²	39.2	43%	0.43	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-56	-29.2	174.2	-65.8	175.2	-97.7	0	0	113.2	F126 K165	F126-E167 HydrophobicContact CB-CG 3.93Å; F126-E167 HydrophobicContact CD2-CG 4.19Å; F126-E167 HydrophobicContact CG-CG 4.1Å; K165-E167 VanDerWaalsContact C-N 3.35Å; K165-E167 HydrophobicContact CD-CB 4.1Å; K165-E167 HydrophobicContact CD-CG 4.43Å; K165-E167 WeakPolarHBondContact CD-OE1 3.3Å; K165-E167 WeakPolarHBondContact CE-OE1 3.44Å; K165-E167 HydrophobicContact CG-CB 4.28Å; K165-E167 IonicContact NZ-OE1 2.72Å; K165-E167 PolarHBondContact NZ-OE1 3.01Å; K165-E167 IonicContact NZ-OE2 3.56Å; K165-E167 PolarHBondContact O-N 2.95Å
168	N	98.2	Very high	96.9	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.053	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-97.7	12.3	-178.3	-70.9	-21.8	0	0	0	113.1	D163 K165 D166 I181	D163-N168 PolarHBondContact O-ND2 3.39Å; D163-N168 PolarHBondContact OD2-ND2 3.36Å; K165-N168 HydrophobicContact CG-CB 4.2Å; K165-N168 PolarHBondContact O-N 3.1Å; D166-N168 PolarHBondContact O-N 3.29Å; D166-N168 VanDerWaalsContact O-N 3.1Å; N168-I181 VanDerWaalsContact C-CG1 3.49Å; N168-I181 HydrophobicContact CB-CG1 4.37Å; N168-I181 WeakPolarHBondContact O-CG1 3.1Å; N168-I181 PolarHBondContact O-N 2.96Å
169	I	98.6	Very high	96.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.3	172.8	-56.4	-54.6	0	0	0	109.5	D124 L125 V147 K165 D166 A178 L180 L227	D124-I169 CarbonylContact C-O 3.54Å; D124-I169 WeakPolarHBondContact CA-O 3.41Å; L125-I169 HydrophobicContact CB-CB 3.97Å; L125-I169 HydrophobicContact CB-CG2 4.28Å; L125-I169 HydrophobicContact CD2-CB 4.22Å; L125-I169 HydrophobicContact CD2-CG2 4.34Å; L125-I169 PolarHBondContact N-O 3.29Å; V147-I169 HydrophobicContact CG1-CD1 4.03Å; V147-I169 HydrophobicContact CG2-CD1 3.76Å; V147-I169 HydrophobicContact CG2-CG1 4.12Å; V147-I169 HydrophobicContact CG2-CG2 4.09Å; K165-I169 WeakPolarHBondContact O-CG1 3.38Å; D166-I169 PolarHBondContact O-N 2.97Å; I169-A178 HydrophobicContact CG2-CB 3.84Å; I169-L180 HydrophobicContact CD1-CB 4.5Å; I169-L180 HydrophobicContact CD1-CD1 3.63Å; I169-L227 HydrophobicContact CG1-CD2 4.42Å
170	L	98.1	Very high	96.9	Very high	31 Å²	31	35.2 Å²	35.2	16%	0.162	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.3	175.1	-168.2	73.9	0	0	0	110.9	P119 A122 A178 K179 I181	P119-L170 HydrophobicContact CG-CD2 3.99Å; A122-L170 HydrophobicContact CB-CD1 4.02Å; A122-L170 HydrophobicContact CB-CD2 3.94Å; A122-L170 HydrophobicContact CB-CG 3.94Å; L170-A178 CarbonylContact O-C 3.57Å; L170-A178 WeakPolarHBondContact O-CA 3.26Å; L170-K179 HydrophobicContact CB-CB 4.47Å; L170-K179 PolarHBondContact N-O 3.02Å; L170-K179 PolarHBondContact O-N 2.93Å; L170-I181 HydrophobicContact CB-CG2 4.07Å
171	I	98	Very high	96.9	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.4	174	-55.8	167.7	0	0	0	109.4	A122 Q123 L125 Y128 F143 L173 C177	A122-I171 WeakPolarHBondContact CA-O 3.44Å; A122-I171 WeakPolarHBondContact CB-O 3.45Å; Q123-I171 PolarHBondContact N-O 2.67Å; Q123-I171 PolarHBondContact O-N 2.72Å; L125-I171 HydrophobicContact CB-CD1 4.41Å; L125-I171 HydrophobicContact CD1-CD1 3.65Å; L125-I171 HydrophobicContact CD1-CG1 4.44Å; Y128-I171 HydrophobicContact CD1-CD1 3.67Å; Y128-I171 HydrophobicContact CD2-CD1 3.92Å; Y128-I171 HydrophobicContact CE1-CD1 4.25Å; Y128-I171 HydrophobicContact CE2-CD1 4.46Å; Y128-I171 HydrophobicContact CG-CD1 3.49Å; Y128-I171 VanDerWaalsContact CG-CD1 3.49Å; F143-I171 HydrophobicContact CE1-CG1 4.48Å; F143-I171 HydrophobicContact CE1-CG2 4.04Å; F143-I171 HydrophobicContact CE2-CD1 4Å; F143-I171 HydrophobicContact CZ-CD1 4.02Å; F143-I171 HydrophobicContact CZ-CG1 4.32Å; F143-I171 HydrophobicContact CZ-CG2 3.96Å; I171-L173 HydrophobicContact CB-CD2 4.39Å; I171-L173 HydrophobicContact CG2-CD2 3.94Å; I171-L173 PolarHBondContact O-N 2.76Å; I171-L173 VanDerWaalsContact O-N 3.15Å; I171-C177 WeakPolarHBondContact CA-O 3.34Å
172	D	95.9	Very high	96.8	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.059	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	98.2	162.5	-178.3	-29.4	0	0	0	108.2	P119 R174 R175 G176 C177	P119-D172 HydrophobicContact CB-CB 3.98Å; D172-R174 PolarHBondContact O-N 3.19Å; D172-R174 WeakPolarHBondContact OD1-CB 3.44Å; D172-R174 PolarHBondContact OD1-N 3.04Å; D172-R175 HydrophobicContact CB-CB 4.33Å; D172-R175 PolarHBondContact O-N 3.22Å; D172-R175 VanDerWaalsContact O-N 3.16Å; D172-R175 PolarHBondContact OD1-N 3.29Å; D172-R175 WeakPolarHBondContact OD2-CD 3.46Å; D172-G176 WeakPolarHBondContact O-CA 3.38Å; D172-G176 PolarHBondContact O-N 2.77Å; D172-C177 HydrophobicContact CB-CB 4.49Å; D172-C177 PolarHBondContact N-O 3.42Å; D172-C177 PolarHBondContact O-N 2.89Å
173	L	94.8	Very high	96.7	Very high	75 Å²	75	37.3 Å²	37.3	39%	0.393	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.6	-174.9	-63.7	174.5	0	0	0	112.8	P121 Q123 Y128 I171	P121-L173 HydrophobicContact CB-CB 4.49Å; P121-L173 HydrophobicContact CB-CD1 4.35Å; P121-L173 HydrophobicContact CG-CB 4.13Å; P121-L173 PolarHBondContact O-N 3.12Å; Q123-L173 HydrophobicContact CB-CD1 4.09Å; Q123-L173 HydrophobicContact CB-CG 4.46Å; Y128-L173 HydrophobicContact CD2-CD2 4.14Å; Y128-L173 HydrophobicContact CE2-CD2 3.99Å; I171-L173 HydrophobicContact CB-CD2 4.39Å; I171-L173 HydrophobicContact CG2-CD2 3.94Å; I171-L173 PolarHBondContact O-N 2.76Å; I171-L173 VanDerWaalsContact O-N 3.15Å
174	R	93.8	Very high	96.6	Very high	189 Å²	189	37.7 Å²	37.7	71%	0.713	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-39.5	176	-177.6	-175.9	-62.1	-84.9	-1.7	111.3	L120 D172	L120-R174 PolarHBondContact O-NE 3.14Å; D172-R174 PolarHBondContact O-N 3.19Å; D172-R174 WeakPolarHBondContact OD1-CB 3.44Å; D172-R174 PolarHBondContact OD1-N 3.04Å
175	R	91.6	Very high	96.5	Very high	180 Å²	180	37.7 Å²	37.7	68%	0.679	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-17.4	-175.4	-62.6	-175.5	173.3	-172.9	-1.5	113.6	D172 C177	D172-R175 HydrophobicContact CB-CB 4.33Å; D172-R175 PolarHBondContact O-N 3.22Å; D172-R175 VanDerWaalsContact O-N 3.16Å; D172-R175 PolarHBondContact OD1-N 3.29Å; D172-R175 WeakPolarHBondContact OD2-CD 3.46Å; R175-C177 VanDerWaalsContact C-N 3.31Å; R175-C177 HydrophobicContact CB-CB 4.31Å
176	G	92.1	Very high	96.4	Very high	35 Å²	35	36.9 Å²	36.9	36%	0.361	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	31.1	-170.9	0	0	0	0	0	112.4	Q146 D172	Q146-G176 PolarHBondContact NE2-O 2.96Å; D172-G176 WeakPolarHBondContact O-CA 3.38Å; D172-G176 PolarHBondContact O-N 2.77Å
177	C	94.9	Very high	96.4	Very high	36 Å²	36	36.9 Å²	36.9	24%	0.243	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.9	-175.6	-60.6	0	0	0	0	112.1	I171 D172 R175	I171-C177 WeakPolarHBondContact CA-O 3.34Å; D172-C177 HydrophobicContact CB-CB 4.49Å; D172-C177 PolarHBondContact N-O 3.42Å; D172-C177 PolarHBondContact O-N 2.89Å; R175-C177 VanDerWaalsContact C-N 3.31Å; R175-C177 HydrophobicContact CB-CB 4.31Å
178	A	97.7	Very high	96.4	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.017	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.8	172.9	0	0	0	0	0	110.9	G98 F143 Q146 V147 I169 L170	G98-A178 WeakPolarHBondContact CA-O 3.32Å; F143-A178 HydrophobicContact CD1-CB 4.2Å; Q146-A178 HydrophobicContact CB-CB 4.14Å; V147-A178 HydrophobicContact CG2-CB 4.19Å; I169-A178 HydrophobicContact CG2-CB 3.84Å; L170-A178 CarbonylContact O-C 3.57Å; L170-A178 WeakPolarHBondContact O-CA 3.26Å
179	K	98.4	Very high	96.3	Very high	12 Å²	12	38.1 Å²	38.1	5%	0.052	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.4	177.2	-78.4	171.2	175.2	-75.1	0	110.6	P97 G98 I100 E117 P119 L170	P97-K179 WeakPolarHBondContact O-CG 3.39Å; P97-K179 PolarHBondContact O-NZ 3.03Å; G98-K179 CarbonylContact O-C 3.48Å; G98-K179 WeakPolarHBondContact O-CA 3.21Å; I100-K179 HydrophobicContact CD1-CD 4.22Å; E117-K179 VanDerWaalsContact CD-NZ 3.28Å; E117-K179 VanDerWaalsContact OE1-CE 3.27Å; E117-K179 WeakPolarHBondContact OE1-CE 3.48Å; E117-K179 IonicContact OE1-NZ 2.7Å; E117-K179 PolarHBondContact OE1-NZ 3.21Å; E117-K179 IonicContact OE2-NZ 2.65Å; E117-K179 PolarHBondContact OE2-NZ 2.88Å; P119-K179 HydrophobicContact CG-CD 3.59Å; L170-K179 HydrophobicContact CB-CB 4.47Å; L170-K179 PolarHBondContact N-O 3.02Å; L170-K179 PolarHBondContact O-N 2.93Å
180	L	98.5	Very high	96.3	Very high	2 Å²	2	42 Å²	42	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.8	171.2	-172.9	61.3	0	0	0	110.2	G98 I100 I151 H161 I164 I169 F183	G98-L180 PolarHBondContact O-N 2.8Å; I100-L180 WeakPolarHBondContact CB-O 3.21Å; I100-L180 PolarHBondContact N-O 3Å; I151-L180 HydrophobicContact CG1-CD2 4.4Å; H161-L180 HydrophobicContact CB-CD2 4.32Å; H161-L180 VanDerWaalsContact CD2-CD2 3.43Å; H161-L180 WeakPolarHBondContact CD2-CD2 3.38Å; I164-L180 HydrophobicContact CD1-CD1 3.57Å; I164-L180 HydrophobicContact CD1-CD2 3.95Å; I164-L180 HydrophobicContact CD1-CG 4.43Å; I169-L180 HydrophobicContact CD1-CB 4.5Å; I169-L180 HydrophobicContact CD1-CD1 3.63Å; L180-F183 HydrophobicContact CD2-CE2 4.45Å; L180-F183 HydrophobicContact CD2-CZ 4.04Å; L180-F183 HydrophobicContact CG-CE2 4.33Å; L180-F183 HydrophobicContact CG-CZ 4.41Å
181	I	97.9	Very high	96.1	Very high	42 Å²	42	47.6 Å²	47.6	22%	0.215	24%	0.237	C	C	.	.			trans	-122.9	168.1	177.1	61.3	163.3	0	0	0	110.4	I100 H161 N168 L170	I100-I181 HydrophobicContact CB-CG2 3.79Å; I100-I181 HydrophobicContact CD1-CG2 4.31Å; I100-I181 HydrophobicContact CG1-CG2 4.08Å; I100-I181 HydrophobicContact CG2-CB 4.3Å; I100-I181 HydrophobicContact CG2-CG2 3.99Å; H161-I181 PolarHBondContact CE1-O 3.49Å; H161-I181 PolarHBondContact NE2-O 3.34Å; N168-I181 VanDerWaalsContact C-CG1 3.49Å; N168-I181 HydrophobicContact CB-CG1 4.37Å; N168-I181 WeakPolarHBondContact O-CG1 3.1Å; N168-I181 PolarHBondContact O-N 2.96Å; L170-I181 HydrophobicContact CB-CG2 4.07Å
182	D	95.4	Very high	96.1	Very high	31 Å²	31	53.9 Å²	53.9	17%	0.166	27%	0.266	C	S	.	.			trans	61.3	82.9	172.8	-154	-20.2	0	0	0	116.5	F43 K61 H161 G184	F43-D182 WeakPolarHBondContact CD2-OD2 3.36Å; K61-D182 VanDerWaalsContact NZ-CG 3.28Å; K61-D182 IonicContact NZ-OD1 2.76Å; K61-D182 PolarHBondContact NZ-OD1 3.35Å; K61-D182 IonicContact NZ-OD2 3.52Å; K61-D182 PolarHBondContact NZ-OD2 2.91Å; H161-D182 PolarHBondContact CE1-O 2.92Å; H161-D182 PolarHBondContact NE2-O 3.42Å; D182-G184 PolarHBondContact O-N 3.48Å; D182-G184 WeakPolarHBondContact OD1-CA 3.42Å; D182-G184 PolarHBondContact OD1-N 3.46Å
183	F	96.9	Very high	96.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.			trans	-87.2	19.7	174.2	-73.4	-111.1	0	0	0	112.2	E83 L86 L87 V90 V99 V159 H161 L180 S185 G186	E83-F183 HydrophobicContact CG-CB 4.11Å; L86-F183 HydrophobicContact CB-CB 4.31Å; L86-F183 HydrophobicContact CB-CD1 4.21Å; L86-F183 HydrophobicContact CD1-CB 4.48Å; L87-F183 HydrophobicContact CD2-CB 4.47Å; L87-F183 HydrophobicContact CD2-CD2 3.42Å; L87-F183 VanDerWaalsContact CD2-CD2 3.42Å; L87-F183 HydrophobicContact CD2-CE2 3.8Å; L87-F183 HydrophobicContact CD2-CG 4.03Å; L87-F183 HydrophobicContact CG-CB 4.24Å; L87-F183 HydrophobicContact CG-CD2 4.12Å; L87-F183 HydrophobicContact CG-CG 4.27Å; V90-F183 HydrophobicContact CG1-CE1 4.13Å; V90-F183 HydrophobicContact CG2-CE1 4.39Å; V90-F183 HydrophobicContact CG2-CZ 4.25Å; V99-F183 HydrophobicContact CG1-CE2 3.75Å; V99-F183 HydrophobicContact CG1-CZ 3.65Å; V159-F183 HydrophobicContact CG1-CD1 3.88Å; V159-F183 HydrophobicContact CG1-CE1 3.83Å; H161-F183 AromaticContact CD2-CD1 3.85Å; H161-F183 AromaticContact CD2-CD2 3.92Å; H161-F183 AromaticContact CD2-CE1 3.78Å; H161-F183 AromaticContact CD2-CE2 3.84Å; H161-F183 AromaticContact CD2-CG 3.93Å; H161-F183 AromaticContact CD2-CZ 3.77Å; H161-F183 AromaticContact NE2-CD2 3.94Å; L180-F183 HydrophobicContact CD2-CE2 4.45Å; L180-F183 HydrophobicContact CD2-CZ 4.04Å; L180-F183 HydrophobicContact CG-CE2 4.33Å; L180-F183 HydrophobicContact CG-CZ 4.41Å; F183-S185 VanDerWaalsContact C-N 3.32Å; F183-S185 PolarHBondContact O-N 3.03Å; F183-G186 PolarHBondContact O-N 3.33Å
184	G	95.3	Very high	96.3	Very high	11 Å²	11	52.2 Å²	52.2	11%	0.113	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.5	-176.2	0	0	0	0	0	113.3	D182	D182-G184 PolarHBondContact O-N 3.48Å; D182-G184 WeakPolarHBondContact OD1-CA 3.42Å; D182-G184 PolarHBondContact OD1-N 3.46Å
185	S	95.7	Very high	96.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.4	175.1	-55.4	0	0	0	0	113.7	F43 R162 F183 D198	F43-S185 WeakPolarHBondContact CE1-OG 3.4Å; F43-S185 WeakPolarHBondContact CZ-OG 3.48Å; R162-S185 VanDerWaalsContact CZ-O 3.24Å; R162-S185 PolarHBondContact NE-O 3.32Å; R162-S185 PolarHBondContact NH2-O 2.97Å; F183-S185 VanDerWaalsContact C-N 3.32Å; F183-S185 PolarHBondContact O-N 3.03Å; S185-D198 WeakPolarHBondContact CB-O 3.46Å; S185-D198 PolarHBondContact OG-O 2.92Å
186	G	97	Very high	96.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.239	C	C	.	.			trans	-66.7	169.5	-173.5	0	0	0	0	0	113.8	L82 V160 H161 F183	L82-G186 WeakPolarHBondContact CD2-O 3.16Å; V160-G186 CarbonylContact O-C 3.59Å; V160-G186 WeakPolarHBondContact O-CA 3.44Å; H161-G186 VanDerWaalsContact O-CA 3.31Å; H161-G186 WeakPolarHBondContact O-CA 3.45Å; H161-G186 PolarHBondContact O-N 3.12Å; F183-G186 PolarHBondContact O-N 3.33Å
187	A	97.4	Very high	96.8	Very high	11 Å²	11	42.4 Å²	42.4	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	167.6	174.3	0	0	0	0	0	111.9	V160 Y194	V160-A187 HydrophobicContact CG1-CB 3.83Å; V160-A187 WeakPolarHBondContact CG1-O 3.2Å; V160-A187 PolarHBondContact N-O 2.87Å; V160-A187 PolarHBondContact O-N 3.4Å; A187-Y194 HydrophobicContact CB-CE1 3.86Å
188	L	97.3	Very high	96.7	Very high	66 Å²	66	44.2 Å²	44.2	35%	0.346	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.5	165.6	-67.3	178.1	0	0	0	109.1	L86 K89 H190 Y194	L86-L188 HydrophobicContact CD2-CD2 3.88Å; L86-L188 HydrophobicContact CD2-CG 4.37Å; K89-L188 HydrophobicContact CD-CD2 3.92Å; K89-L188 VanDerWaalsContact NZ-CD2 3.33Å; L188-H190 PolarHBondContact O-CD2 2.94Å; L188-Y194 PolarHBondContact O-OH 2.76Å
189	L	97.6	Very high	96.5	Very high	62 Å²	62	45 Å²	45	33%	0.325	24%	0.244	S	C	.	.			trans	-69.2	131.1	177.6	-177.1	63.7	0	0	0	110.3	H155 G158 V160 Y194 A216	H155-L189 HydrophobicContact CB-CD2 4.22Å; G158-L189 VanDerWaalsContact C-CB 3.47Å; G158-L189 PolarHBondContact O-N 3.22Å; V160-L189 HydrophobicContact CB-CD1 4.45Å; L189-Y194 WeakPolarHBondContact CA-OH 3.43Å; L189-A216 HydrophobicContact CD1-CB 3.43Å; L189-A216 VanDerWaalsContact CD1-CB 3.43Å
190	H	97	Very high	96.5	Very high	82 Å²	82	46 Å²	46	38%	0.38	25%	0.251	S	S	.	.			trans	-147.5	165.5	170.4	57.3	69.2	0	0	0	110.8	L188 E192 Y194	L188-H190 PolarHBondContact O-CD2 2.94Å; H190-E192 PolarHBondContact CE1-O 3.26Å; H190-E192 PolarHBondContact ND1-N 2.9Å; H190-E192 PolarHBondContact ND1-O 2.87Å; H190-Y194 AromaticContact CD2-CE1 3.9Å; H190-Y194 AromaticContact CD2-CZ 3.71Å; H190-Y194 PolarHBondContact CD2-OH 2.84Å; H190-Y194 AromaticContact CE1-CD1 3.83Å; H190-Y194 AromaticContact CE1-CD2 3.82Å; H190-Y194 AromaticContact CE1-CE1 3.54Å; H190-Y194 AromaticContact CE1-CE2 3.5Å; H190-Y194 VanDerWaalsContact CE1-CE2 3.5Å; H190-Y194 WeakPolarHBondContact CE1-CE2 3.48Å; H190-Y194 AromaticContact CE1-CG 3.97Å; H190-Y194 AromaticContact CE1-CZ 3.35Å; H190-Y194 PolarHBondContact N-OH 2.86Å; H190-Y194 VanDerWaalsContact N-OH 3.13Å; H190-Y194 AromaticContact ND1-CE2 3.81Å; H190-Y194 AromaticContact ND1-CZ 3.79Å; H190-Y194 AromaticContact NE2-CD1 3.71Å; H190-Y194 AromaticContact NE2-CE1 3.16Å; H190-Y194 WeakPolarHBondContact NE2-CE1 3.31Å; H190-Y194 AromaticContact NE2-CE2 3.95Å; H190-Y194 AromaticContact NE2-CZ 3.29Å; H190-Y194 VanDerWaalsContact NE2-CZ 3.29Å
191	D	95.7	Very high	96.4	Very high	148 Å²	148	51.2 Å²	51.2	79%	0.791	27%	0.271	S	S	*	.	S	Bend	trans	-80.8	-26.8	-175.8	-63.7	-32.5	0	0	0	113.1	H215	D191-H215 PolarHBondContact O-CE1 2.7Å; D191-H215 PolarHBondContact O-ND1 2.98Å
192	E	97.6	Very high	96.4	Very high	135 Å²	135	51 Å²	51	63%	0.631	27%	0.271	S	S	*	.	S	Bend	trans	-63.2	150.2	178.7	-64.4	-57.2	142.5	0	0	112	H190 Y194	H190-E192 PolarHBondContact CE1-O 3.26Å; H190-E192 PolarHBondContact ND1-N 2.9Å; H190-E192 PolarHBondContact ND1-O 2.87Å; E192-Y194 PolarHBondContact O-N 3.39Å
193	P	97.3	Very high	96.6	Very high	46 Å²	46	50.1 Å²	50.1	30%	0.299	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-60.3	136.7	173.6	-16.9	28	0	0	0	111.5	Y214	P193-Y214 CarbonylContact C-O 3.52Å; P193-Y214 WeakPolarHBondContact CA-O 3.31Å
194	Y	98.3	Very high	96.7	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.02	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-80.1	135.3	168.6	-66.9	-98.7	0	0	0	109.1	V160 A187 L188 L189 H190 E192 Q213 Y214 A216	V160-Y194 HydrophobicContact CG1-CE1 4.41Å; A187-Y194 HydrophobicContact CB-CE1 3.86Å; L188-Y194 PolarHBondContact O-OH 2.76Å; L189-Y194 WeakPolarHBondContact CA-OH 3.43Å; H190-Y194 AromaticContact CD2-CE1 3.9Å; H190-Y194 AromaticContact CD2-CZ 3.71Å; H190-Y194 PolarHBondContact CD2-OH 2.84Å; H190-Y194 AromaticContact CE1-CD1 3.83Å; H190-Y194 AromaticContact CE1-CD2 3.82Å; H190-Y194 AromaticContact CE1-CE1 3.54Å; H190-Y194 AromaticContact CE1-CE2 3.5Å; H190-Y194 VanDerWaalsContact CE1-CE2 3.5Å; H190-Y194 WeakPolarHBondContact CE1-CE2 3.48Å; H190-Y194 AromaticContact CE1-CG 3.97Å; H190-Y194 AromaticContact CE1-CZ 3.35Å; H190-Y194 PolarHBondContact N-OH 2.86Å; H190-Y194 VanDerWaalsContact N-OH 3.13Å; H190-Y194 AromaticContact ND1-CE2 3.81Å; H190-Y194 AromaticContact ND1-CZ 3.79Å; H190-Y194 AromaticContact NE2-CD1 3.71Å; H190-Y194 AromaticContact NE2-CE1 3.16Å; H190-Y194 WeakPolarHBondContact NE2-CE1 3.31Å; H190-Y194 AromaticContact NE2-CE2 3.95Å; H190-Y194 AromaticContact NE2-CZ 3.29Å; H190-Y194 VanDerWaalsContact NE2-CZ 3.29Å; E192-Y194 PolarHBondContact O-N 3.39Å; Y194-Q213 VanDerWaalsContact O-CA 3.32Å; Y194-Q213 WeakPolarHBondContact O-CA 3.46Å; Y194-Y214 HydrophobicContact CD2-CD2 4.44Å; Y194-Y214 HydrophobicContact CD2-CE2 4.05Å; Y194-Y214 AromaticContact CG-CE2 3.94Å; Y194-Y214 HydrophobicContact CG-CE2 3.94Å; Y194-Y214 AromaticContact CG-CZ 3.94Å; Y194-Y214 PolarHBondContact N-O 3.38Å; Y194-Y214 PolarHBondContact O-N 2.94Å; Y194-A216 HydrophobicContact CD2-CB 4.47Å; Y194-A216 HydrophobicContact CE2-CB 3.73Å
195	T	97.8	Very high	96.8	Very high	96 Å²	96	49.7 Å²	49.7	59%	0.589	26%	0.261	S	S	*	.			trans	-111.7	6.8	178.1	55.9	0	0	0	0	112.8	Q213	T195-Q213 HydrophobicContact CG2-CG 4.02Å
196	D	95.9	Very high	97	Very high	69 Å²	69	50 Å²	50	37%	0.369	26%	0.263	S	S	.	.			trans	-127.1	150.6	178.4	66.7	-63.7	0	0	0	110.2	R162 Y214	R162-D196 IonicContact CZ-OD2 2.8Å; R162-D196 PolarHBondContact NH1-O 3.27Å; R162-D196 IonicContact NH1-OD1 3.55Å; R162-D196 IonicContact NH1-OD2 3.31Å; R162-D196 PolarHBondContact NH1-OD2 3.13Å; R162-D196 IonicContact NH2-OD2 2.78Å; R162-D196 PolarHBondContact NH2-OD2 2.92Å; D196-Y214 WeakPolarHBondContact O-CE1 3.25Å; D196-Y214 PolarHBondContact O-OH 3.42Å
197	F	94.1	Very high	97.1	Very high	34 Å²	34	51 Å²	51	15%	0.149	27%	0.268	C	S	.	.			trans	-154.4	114.9	178.6	-174.3	-98.1	0	0	0	110.2	G199 W208 Y214	F197-G199 WeakPolarHBondContact CE1-O 3.31Å; F197-W208 HydrophobicContact CB-CD2 3.76Å; F197-W208 HydrophobicContact CB-CE3 4.02Å; F197-W208 HydrophobicContact CB-CH2 3.61Å; F197-W208 HydrophobicContact CB-CZ2 3.34Å; F197-W208 HydrophobicContact CB-CZ3 3.94Å; F197-W208 AromaticContact CD1-NE1 3.7Å; F197-W208 HydrophobicContact CG-CD2 4.21Å; F197-W208 AromaticContact CG-CE2 3.92Å; F197-W208 HydrophobicContact CG-CG 4.48Å; F197-W208 HydrophobicContact CG-CZ2 4.31Å; F197-W208 AromaticContact CG-NE1 3.93Å; F197-Y214 HydrophobicContact CB-CE1 4.12Å; F197-Y214 AromaticContact CD2-CE1 3.93Å; F197-Y214 HydrophobicContact CD2-CE1 3.93Å; F197-Y214 AromaticContact CD2-CZ 3.92Å; F197-Y214 HydrophobicContact CG-CE1 4.49Å
198	D	91.7	Very high	97.1	Very high	74 Å²	74	51.6 Å²	51.6	40%	0.396	27%	0.268	S	S	.	.			trans	-109.1	14.5	175.9	-62.1	-54.9	0	0	0	111.9	L69 S185	L69-D198 HydrophobicContact CD1-CB 4.02Å; S185-D198 WeakPolarHBondContact CB-O 3.46Å; S185-D198 PolarHBondContact OG-O 2.92Å
199	G	94.6	Very high	97.2	Very high	17 Å²	17	49.2 Å²	49.2	18%	0.175	26%	0.255	C	S	.	.	S	Bend	trans	-83	-179.4	176.1	0	0	0	0	0	113	F197 R201	F197-G199 WeakPolarHBondContact CE1-O 3.31Å; G199-R201 PolarHBondContact O-N 2.75Å
200	T	96.9	Very high	97.2	Very high	33 Å²	33	49.5 Å²	49.5	20%	0.202	26%	0.262	C	S	.	.			trans	-73.5	121.8	179.3	-57.7	0	0	0	0	111	D163 K165 V202 Y203 S204	D163-T200 VanDerWaalsContact OD1-CB 3.26Å; D163-T200 WeakPolarHBondContact OD1-CB 3.35Å; D163-T200 PolarHBondContact OD1-N 3.22Å; D163-T200 PolarHBondContact OD1-OG1 3.42Å; K165-T200 HydrophobicContact CD-CG2 4.36Å; K165-T200 WeakPolarHBondContact CD-OG1 3.39Å; K165-T200 VanDerWaalsContact CE-OG1 3.25Å; K165-T200 WeakPolarHBondContact CE-OG1 3.47Å; K165-T200 PolarHBondContact NZ-OG1 2.88Å; T200-V202 HydrophobicContact CG2-CG2 3.92Å; T200-V202 PolarHBondContact O-N 2.75Å; T200-Y203 HydrophobicContact CG2-CD2 3.91Å; T200-Y203 WeakPolarHBondContact O-CB 3.12Å; T200-Y203 PolarHBondContact O-N 3.43Å; T200-S204 PolarHBondContact O-N 2.92Å
201	R	97.6	Very high	97.2	Very high	112 Å²	112	54.8 Å²	54.8	42%	0.423	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-58	-41.9	-170.9	-172.2	178.6	-173.4	81.9	-2.4	114.1	G199 Y203 S204 I209 D241	G199-R201 PolarHBondContact O-N 2.75Å; R201-Y203 PolarHBondContact O-N 3.48Å; R201-S204 VanDerWaalsContact O-CB 3.25Å; R201-S204 WeakPolarHBondContact O-CB 3.43Å; R201-S204 PolarHBondContact O-N 2.7Å; R201-S204 PolarHBondContact O-OG 2.76Å; R201-I209 HydrophobicContact CG-CD1 4.3Å; R201-D241 IonicContact CZ-OD1 3.9Å; R201-D241 IonicContact CZ-OD2 3.24Å; R201-D241 IonicContact NE-OD1 2.68Å; R201-D241 PolarHBondContact NE-OD1 3.07Å; R201-D241 IonicContact NE-OD2 3.02Å; R201-D241 VanDerWaalsContact NH2-CG 3.32Å; R201-D241 IonicContact NH2-OD1 3.99Å; R201-D241 PolarHBondContact NH2-OD1 2.91Å; R201-D241 IonicContact NH2-OD2 2.71Å; R201-D241 PolarHBondContact NH2-OD2 3.27Å
202	V	98.4	Very high	97.3	Very high	38 Å²	38	52.7 Å²	52.7	23%	0.23	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.6	-15.4	-179.8	-63	0	0	0	0	113.3	T200 I236	T200-V202 HydrophobicContact CG2-CG2 3.92Å; T200-V202 PolarHBondContact O-N 2.75Å; V202-I236 HydrophobicContact CB-CD1 3.87Å; V202-I236 HydrophobicContact CG1-CD1 4.36Å; V202-I236 HydrophobicContact CG2-CD1 3.61Å
203	Y	98.8	Very high	97.3	Very high	12 Å²	12	50.8 Å²	50.8	5%	0.047	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-94.4	-1.8	171.1	-77.6	-99.9	0	0	0	113.1	I164 K165 D166 T200 R201 W222 I226 L227 I236	I164-Y203 WeakPolarHBondContact O-CD1 3.45Å; K165-Y203 HydrophobicContact CB-CD1 4.03Å; K165-Y203 HydrophobicContact CB-CD2 3.99Å; K165-Y203 HydrophobicContact CB-CE1 3.64Å; K165-Y203 HydrophobicContact CB-CE2 3.62Å; K165-Y203 HydrophobicContact CB-CG 4.19Å; K165-Y203 VanDerWaalsContact CB-CZ 3.42Å; D166-Y203 PolarHBondContact OD1-OH 3.2Å; T200-Y203 HydrophobicContact CG2-CD2 3.91Å; T200-Y203 WeakPolarHBondContact O-CB 3.12Å; T200-Y203 PolarHBondContact O-N 3.43Å; R201-Y203 PolarHBondContact O-N 3.48Å; Y203-W222 VanDerWaalsContact O-CD1 3.31Å; Y203-I226 HydrophobicContact CD1-CB 3.67Å; Y203-I226 HydrophobicContact CD1-CG1 4.41Å; Y203-I226 HydrophobicContact CD1-CG2 3.46Å; Y203-I226 VanDerWaalsContact CD1-CG2 3.46Å; Y203-I226 HydrophobicContact CD2-CG2 4.37Å; Y203-I226 HydrophobicContact CE1-CB 3.8Å; Y203-I226 HydrophobicContact CE1-CG2 3.32Å; Y203-I226 HydrophobicContact CE2-CG2 4.25Å; Y203-I226 HydrophobicContact CG-CB 4.46Å; Y203-I226 HydrophobicContact CG-CG2 4Å; Y203-L227 HydrophobicContact CE1-CB 4.44Å; Y203-I236 HydrophobicContact CE2-CG2 4.04Å
204	S	98.4	Very high	97.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-80.5	146.9	-177.4	75.1	0	0	0	0	112	T200 R201 I209 W222 I244	T200-S204 PolarHBondContact O-N 2.92Å; R201-S204 VanDerWaalsContact O-CB 3.25Å; R201-S204 WeakPolarHBondContact O-CB 3.43Å; R201-S204 PolarHBondContact O-N 2.7Å; R201-S204 PolarHBondContact O-OG 2.76Å; S204-I209 VanDerWaalsContact OG-CD1 3.28Å; S204-I209 WeakPolarHBondContact OG-CD1 3.43Å; S204-W222 PolarHBondContact O-NE1 3.01Å; S204-I244 WeakPolarHBondContact O-CG2 3.28Å
205	P	98.7	Very high	97.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.013	26%	0.261	C	S	.	.			trans	-80.7	160	-174.7	36.7	-40.3	0	0	0	112.6	E207 W208 I209 A219 W222	P205-E207 VanDerWaalsContact C-N 3.27Å; P205-E207 HydrophobicContact CB-CG 4.44Å; P205-E207 WeakPolarHBondContact CB-OE1 3Å; P205-E207 WeakPolarHBondContact CB-OE2 3.06Å; P205-E207 HydrophobicContact CG-CG 4.19Å; P205-E207 PolarHBondContact O-N 3.4Å; P205-W208 HydrophobicContact CG-CB 4.07Å; P205-W208 WeakPolarHBondContact O-CB 3.5Å; P205-W208 PolarHBondContact O-N 2.92Å; P205-I209 PolarHBondContact O-N 3.22Å; P205-A219 HydrophobicContact CG-CB 3.86Å; P205-W222 HydrophobicContact CB-CB 3.9Å; P205-W222 HydrophobicContact CB-CD2 4.04Å; P205-W222 HydrophobicContact CB-CG 3.66Å
206	P	98.7	Very high	97.4	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-30.4	-175.8	21.7	-33.5	0	0	0	113.9	W208 I209 S210 W222 I244 L245	P206-W208 VanDerWaalsContact C-N 3.3Å; P206-W208 PolarHBondContact O-N 2.67Å; P206-I209 PolarHBondContact O-N 3.37Å; P206-S210 WeakPolarHBondContact O-CB 3.49Å; P206-S210 PolarHBondContact O-N 3.38Å; P206-S210 PolarHBondContact O-OG 2.98Å; P206-W222 VanDerWaalsContact CD-CH2 3.49Å; P206-W222 VanDerWaalsContact CD-CZ3 3.43Å; P206-W222 HydrophobicContact CG-CE3 4.26Å; P206-W222 HydrophobicContact CG-CH2 3.94Å; P206-W222 HydrophobicContact CG-CZ3 3.78Å; P206-I244 HydrophobicContact CB-CG2 4.43Å; P206-L245 HydrophobicContact CB-CD2 4.19Å
207	E	98.7	Very high	97.5	Very high	20 Å²	20	48.7 Å²	48.7	9%	0.093	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-31	173.7	63	-88	-155	0	0	113	P205 R211 H212 Q213 P271 R274	P205-E207 VanDerWaalsContact C-N 3.27Å; P205-E207 HydrophobicContact CB-CG 4.44Å; P205-E207 WeakPolarHBondContact CB-OE1 3Å; P205-E207 WeakPolarHBondContact CB-OE2 3.06Å; P205-E207 HydrophobicContact CG-CG 4.19Å; P205-E207 PolarHBondContact O-N 3.4Å; E207-R211 WeakPolarHBondContact O-CA 3.15Å; E207-R211 WeakPolarHBondContact O-CB 3.39Å; E207-R211 PolarHBondContact O-N 2.9Å; E207-H212 PolarHBondContact O-N 3.4Å; E207-Q213 CarbonylContact C-O 3.34Å; E207-Q213 WeakPolarHBondContact CG-O 3.42Å; E207-P271 HydrophobicContact CB-CG 4.37Å; E207-P271 VanDerWaalsContact CD-CG 3.48Å; E207-P271 HydrophobicContact CG-CG 4.11Å; E207-P271 WeakPolarHBondContact OE1-CG 3.49Å; E207-R274 IonicContact OE1-CZ 3.62Å; E207-R274 IonicContact OE1-NH1 2.68Å; E207-R274 PolarHBondContact OE1-NH1 3.44Å; E207-R274 IonicContact OE1-NH2 2.88Å; E207-R274 PolarHBondContact OE1-NH2 2.76Å; E207-R274 IonicContact OE2-CZ 3.46Å; E207-R274 IonicContact OE2-NH1 2.85Å; E207-R274 IonicContact OE2-NH2 3.43Å; E207-R274 PolarHBondContact OE2-NH2 3.44Å
208	W	98.6	Very high	97.8	Very high	25 Å²	25	48.5 Å²	48.5	10%	0.095	24%	0.237	C	C	.	.	H	α-helix	trans	-69.9	-48.6	171.6	171.7	-108.1	0	0	0	110.5	F197 P205 P206 S210 H212 Y214	F197-W208 HydrophobicContact CB-CD2 3.76Å; F197-W208 HydrophobicContact CB-CE3 4.02Å; F197-W208 HydrophobicContact CB-CH2 3.61Å; F197-W208 HydrophobicContact CB-CZ2 3.34Å; F197-W208 HydrophobicContact CB-CZ3 3.94Å; F197-W208 AromaticContact CD1-NE1 3.7Å; F197-W208 HydrophobicContact CG-CD2 4.21Å; F197-W208 AromaticContact CG-CE2 3.92Å; F197-W208 HydrophobicContact CG-CG 4.48Å; F197-W208 HydrophobicContact CG-CZ2 4.31Å; F197-W208 AromaticContact CG-NE1 3.93Å; P205-W208 HydrophobicContact CG-CB 4.07Å; P205-W208 WeakPolarHBondContact O-CB 3.5Å; P205-W208 PolarHBondContact O-N 2.92Å; P206-W208 VanDerWaalsContact C-N 3.3Å; P206-W208 PolarHBondContact O-N 2.67Å; W208-S210 VanDerWaalsContact C-N 3.29Å; W208-S210 PolarHBondContact O-N 3.39Å; W208-H212 VanDerWaalsContact CE3-CA 3.49Å; W208-H212 HydrophobicContact CE3-CB 4.29Å; W208-H212 HydrophobicContact CH2-CB 4.31Å; W208-H212 VanDerWaalsContact CZ3-C 3.47Å; W208-H212 HydrophobicContact CZ3-CB 3.97Å; W208-H212 WeakPolarHBondContact CZ3-O 3.47Å; W208-H212 VanDerWaalsContact O-CA 3.24Å; W208-H212 WeakPolarHBondContact O-CA 3.34Å; W208-H212 PolarHBondContact O-N 2.89Å; W208-Y214 HydrophobicContact CB-CD1 4.34Å; W208-Y214 HydrophobicContact CD2-CD1 4.36Å; W208-Y214 HydrophobicContact CD2-CE1 4.48Å; W208-Y214 AromaticContact CE3-CD1 3.73Å; W208-Y214 HydrophobicContact CE3-CD1 3.73Å; W208-Y214 AromaticContact CE3-CE1 3.85Å; W208-Y214 HydrophobicContact CE3-CE1 3.85Å; W208-Y214 HydrophobicContact CZ3-CD1 4.48Å; W208-Y214 HydrophobicContact CZ3-CE1 4.27Å
209	I	98.4	Very high	98.1	Very high	16 Å²	16	45.4 Å²	45.4	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-58.1	-42.3	179.1	-58.6	-58	0	0	0	111.7	R201 S204 P205 P206 D241 I244 L245	R201-I209 HydrophobicContact CG-CD1 4.3Å; S204-I209 VanDerWaalsContact OG-CD1 3.28Å; S204-I209 WeakPolarHBondContact OG-CD1 3.43Å; P205-I209 PolarHBondContact O-N 3.22Å; P206-I209 PolarHBondContact O-N 3.37Å; I209-D241 HydrophobicContact CG2-CB 3.84Å; I209-I244 HydrophobicContact CD1-CD1 4.31Å; I209-I244 HydrophobicContact CG1-CB 4.41Å; I209-I244 HydrophobicContact CG1-CD1 4.36Å; I209-I244 HydrophobicContact CG1-CG2 3.82Å; I209-L245 HydrophobicContact CB-CD2 4.07Å; I209-L245 HydrophobicContact CB-CG 4.44Å; I209-L245 HydrophobicContact CG2-CD1 3.99Å; I209-L245 HydrophobicContact CG2-CD2 3.92Å; I209-L245 HydrophobicContact CG2-CG 3.87Å
210	S	97.7	Very high	98.3	Very high	67 Å²	67	44.9 Å²	44.9	47%	0.469	22%	0.215	S	C	.	.	H	α-helix	trans	-87	-36	-174.4	57	0	0	0	0	114.6	P206 W208	P206-S210 WeakPolarHBondContact O-CB 3.49Å; P206-S210 PolarHBondContact O-N 3.38Å; P206-S210 PolarHBondContact O-OG 2.98Å; W208-S210 VanDerWaalsContact C-N 3.29Å; W208-S210 PolarHBondContact O-N 3.39Å
211	R	97.5	Very high	98.4	Very high	193 Å²	193	43.4 Å²	43.4	73%	0.728	21%	0.206	S	C	*	.	H	α-helix	trans	-124.6	-5.4	-169.3	-58.5	179.7	-172.1	-169.3	0.7	114.1	E207 Q213	E207-R211 WeakPolarHBondContact O-CA 3.15Å; E207-R211 WeakPolarHBondContact O-CB 3.39Å; E207-R211 PolarHBondContact O-N 2.9Å; R211-Q213 PolarHBondContact O-N 2.83Å
212	H	98.1	Very high	98.5	Very high	105 Å²	105	38 Å²	38	49%	0.486	19%	0.186	S	C	.	.	S	Bend	trans	54.1	34.1	-174	-57.5	75.7	0	0	0	112.2	E207 W208	E207-H212 PolarHBondContact O-N 3.4Å; W208-H212 VanDerWaalsContact CE3-CA 3.49Å; W208-H212 HydrophobicContact CE3-CB 4.29Å; W208-H212 HydrophobicContact CH2-CB 4.31Å; W208-H212 VanDerWaalsContact CZ3-C 3.47Å; W208-H212 HydrophobicContact CZ3-CB 3.97Å; W208-H212 WeakPolarHBondContact CZ3-O 3.47Å; W208-H212 VanDerWaalsContact O-CA 3.24Å; W208-H212 WeakPolarHBondContact O-CA 3.34Å; W208-H212 PolarHBondContact O-N 2.89Å
213	Q	98.3	Very high	98.5	Very high	95 Å²	95	36.7 Å²	36.7	44%	0.444	18%	0.178	S	C	.	.			trans	-144.2	138.3	179.7	-71.8	-176.1	1.2	0	0	110.8	Y194 T195 E207 R211	Y194-Q213 VanDerWaalsContact O-CA 3.32Å; Y194-Q213 WeakPolarHBondContact O-CA 3.46Å; T195-Q213 HydrophobicContact CG2-CG 4.02Å; E207-Q213 CarbonylContact C-O 3.34Å; E207-Q213 WeakPolarHBondContact CG-O 3.42Å; R211-Q213 PolarHBondContact O-N 2.83Å
214	Y	98.7	Very high	98.5	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.027	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-151.8	159.5	174.5	63.1	-81.4	0	0	0	111.3	R162 P193 Y194 D196 F197 W208 A219	R162-Y214 VanDerWaalsContact CD-OH 3.27Å; R162-Y214 WeakPolarHBondContact CD-OH 3.2Å; R162-Y214 PolarHBondContact NH1-OH 3.29Å; P193-Y214 CarbonylContact C-O 3.52Å; P193-Y214 WeakPolarHBondContact CA-O 3.31Å; Y194-Y214 HydrophobicContact CD2-CD2 4.44Å; Y194-Y214 HydrophobicContact CD2-CE2 4.05Å; Y194-Y214 AromaticContact CG-CE2 3.94Å; Y194-Y214 HydrophobicContact CG-CE2 3.94Å; Y194-Y214 AromaticContact CG-CZ 3.94Å; Y194-Y214 PolarHBondContact N-O 3.38Å; Y194-Y214 PolarHBondContact O-N 2.94Å; D196-Y214 WeakPolarHBondContact O-CE1 3.25Å; D196-Y214 PolarHBondContact O-OH 3.42Å; F197-Y214 HydrophobicContact CB-CE1 4.12Å; F197-Y214 AromaticContact CD2-CE1 3.93Å; F197-Y214 HydrophobicContact CD2-CE1 3.93Å; F197-Y214 AromaticContact CD2-CZ 3.92Å; F197-Y214 HydrophobicContact CG-CE1 4.49Å; W208-Y214 HydrophobicContact CB-CD1 4.34Å; W208-Y214 HydrophobicContact CD2-CD1 4.36Å; W208-Y214 HydrophobicContact CD2-CE1 4.48Å; W208-Y214 AromaticContact CE3-CD1 3.73Å; W208-Y214 HydrophobicContact CE3-CD1 3.73Å; W208-Y214 AromaticContact CE3-CE1 3.85Å; W208-Y214 HydrophobicContact CE3-CE1 3.85Å; W208-Y214 HydrophobicContact CZ3-CD1 4.48Å; W208-Y214 HydrophobicContact CZ3-CE1 4.27Å; Y214-A219 HydrophobicContact CD2-CB 3.47Å; Y214-A219 VanDerWaalsContact CD2-CB 3.47Å; Y214-A219 HydrophobicContact CE2-CB 4.23Å; Y214-A219 HydrophobicContact CG-CB 4.1Å
215	H	98.6	Very high	98.5	Very high	88 Å²	88	36.1 Å²	36.1	41%	0.407	18%	0.176	S	C	.	.			trans	-99.4	145.2	165.4	-69.2	-83.6	0	0	0	109.7	D191 L217 P218 A219	D191-H215 PolarHBondContact O-CE1 2.7Å; D191-H215 PolarHBondContact O-ND1 2.98Å; H215-L217 PolarHBondContact O-N 3.38Å; H215-P218 HydrophobicContact CB-CG 4.38Å; H215-P218 WeakPolarHBondContact O-CD 3.46Å; H215-A219 WeakPolarHBondContact O-CB 3.4Å; H215-A219 PolarHBondContact O-N 2.75Å
216	A	98	Very high	98.5	Very high	5 Å²	5	36 Å²	36	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-54.1	-51.1	-172.4	0	0	0	0	0	113.6	V160 L189 Y194 A219 T220	V160-A216 HydrophobicContact CB-CB 4.21Å; V160-A216 HydrophobicContact CG1-CB 4.49Å; V160-A216 HydrophobicContact CG2-CB 3.86Å; L189-A216 HydrophobicContact CD1-CB 3.43Å; L189-A216 VanDerWaalsContact CD1-CB 3.43Å; Y194-A216 HydrophobicContact CD2-CB 4.47Å; Y194-A216 HydrophobicContact CE2-CB 3.73Å; A216-A219 PolarHBondContact O-N 3.17Å; A216-T220 WeakPolarHBondContact O-CB 3.37Å; A216-T220 PolarHBondContact O-N 2.55Å; A216-T220 PolarHBondContact O-OG1 3.33Å
217	L	98.1	Very high	98.5	Very high	72 Å²	72	35.6 Å²	35.6	38%	0.377	17%	0.173	S	C	.	.	H	α-helix	trans	-66.3	-52.7	-173.4	177	67.5	0	0	0	112.6	H215 A219 T220 V221 L277	H215-L217 PolarHBondContact O-N 3.38Å; L217-A219 VanDerWaalsContact C-N 3.3Å; L217-A219 PolarHBondContact O-N 3.22Å; L217-T220 WeakPolarHBondContact O-CB 3.33Å; L217-T220 PolarHBondContact O-N 3.12Å; L217-V221 HydrophobicContact CD1-CG2 4.33Å; L217-V221 WeakPolarHBondContact O-CG2 3.21Å; L217-V221 PolarHBondContact O-N 2.73Å; L217-L277 HydrophobicContact CD1-CD1 4.09Å; L217-L277 HydrophobicContact CD1-CD2 4.46Å; L217-L277 HydrophobicContact CD1-CG 3.84Å
218	P	98.7	Very high	98.6	Very high	29 Å²	29	34.7 Å²	34.7	19%	0.188	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-35.1	176.3	-25.4	34.7	0	0	0	114.2	H215 V221 W222 P271 R274	H215-P218 HydrophobicContact CB-CG 4.38Å; H215-P218 WeakPolarHBondContact O-CD 3.46Å; P218-V221 PolarHBondContact O-N 3.42Å; P218-W222 PolarHBondContact O-N 2.91Å; P218-P271 HydrophobicContact CB-CB 3.67Å; P218-P271 HydrophobicContact CG-CB 4.14Å; P218-R274 VanDerWaalsContact C-NH1 3.3Å; P218-R274 VanDerWaalsContact O-CD 3.31Å; P218-R274 WeakPolarHBondContact O-CD 3.39Å; P218-R274 PolarHBondContact O-NH1 3.35Å
219	A	98.8	Very high	98.6	Very high	10 Å²	10	34.7 Å²	34.7	8%	0.083	17%	0.169	C	C	.	.	H	α-helix	trans	-68.8	-38.5	176.2	0	0	0	0	0	112.1	P205 Y214 H215 A216 L217 V221 W222 S223	P205-A219 HydrophobicContact CG-CB 3.86Å; Y214-A219 HydrophobicContact CD2-CB 3.47Å; Y214-A219 VanDerWaalsContact CD2-CB 3.47Å; Y214-A219 HydrophobicContact CE2-CB 4.23Å; Y214-A219 HydrophobicContact CG-CB 4.1Å; H215-A219 WeakPolarHBondContact O-CB 3.4Å; H215-A219 PolarHBondContact O-N 2.75Å; A216-A219 PolarHBondContact O-N 3.17Å; L217-A219 VanDerWaalsContact C-N 3.3Å; L217-A219 PolarHBondContact O-N 3.22Å; A219-V221 VanDerWaalsContact C-N 3.34Å; A219-W222 WeakPolarHBondContact O-CB 3.26Å; A219-W222 PolarHBondContact O-N 2.98Å; A219-S223 PolarHBondContact O-N 3.19Å; A219-S223 PolarHBondContact O-OG 3.31Å
220	T	98.8	Very high	98.6	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-41.9	174.1	-58.8	0	0	0	0	111	I151 A216 L217 W222 S223 L224	I151-T220 HydrophobicContact CD1-CG2 4.3Å; I151-T220 HydrophobicContact CG2-CG2 3.52Å; A216-T220 WeakPolarHBondContact O-CB 3.37Å; A216-T220 PolarHBondContact O-N 2.55Å; A216-T220 PolarHBondContact O-OG1 3.33Å; L217-T220 WeakPolarHBondContact O-CB 3.33Å; L217-T220 PolarHBondContact O-N 3.12Å; T220-W222 VanDerWaalsContact C-N 3.33Å; T220-W222 PolarHBondContact O-N 2.72Å; T220-S223 WeakPolarHBondContact CA-OG 3.19Å; T220-S223 PolarHBondContact O-N 3.23Å; T220-S223 PolarHBondContact O-OG 3.11Å; T220-L224 HydrophobicContact CG2-CD1 4.32Å; T220-L224 WeakPolarHBondContact O-CB 3.41Å; T220-L224 WeakPolarHBondContact O-CG 3.1Å; T220-L224 PolarHBondContact O-N 2.79Å
221	V	98.9	Very high	98.6	Very high	1 Å²	1	31 Å²	31	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-66.1	-36.7	176.8	173.3	0	0	0	0	111.8	L217 P218 A219 L224 G225 C266 R274 P275 L277 I280	L217-V221 HydrophobicContact CD1-CG2 4.33Å; L217-V221 WeakPolarHBondContact O-CG2 3.21Å; L217-V221 PolarHBondContact O-N 2.73Å; P218-V221 PolarHBondContact O-N 3.42Å; A219-V221 VanDerWaalsContact C-N 3.34Å; V221-L224 WeakPolarHBondContact O-CB 3.14Å; V221-L224 PolarHBondContact O-N 3.13Å; V221-G225 PolarHBondContact O-N 2.66Å; V221-C266 HydrophobicContact CG1-CB 4.07Å; V221-R274 HydrophobicContact CB-CB 4.33Å; V221-R274 HydrophobicContact CG1-CB 3.77Å; V221-R274 HydrophobicContact CG1-CG 4.48Å; V221-P275 HydrophobicContact CG1-CG 4.14Å; V221-P275 VanDerWaalsContact CG2-O 3.23Å; V221-P275 WeakPolarHBondContact CG2-O 3.43Å; V221-L277 HydrophobicContact CG2-CD2 4.22Å; V221-I280 HydrophobicContact CG1-CD1 4.04Å; V221-I280 HydrophobicContact CG2-CD1 4.22Å
222	W	98.9	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60	-53.5	172.9	177.4	-84.9	0	0	0	111.6	Y203 S204 P205 P206 P218 A219 T220 L224 G225 I226 F238 I244 A247 L267	Y203-W222 VanDerWaalsContact O-CD1 3.31Å; S204-W222 PolarHBondContact O-NE1 3.01Å; P205-W222 HydrophobicContact CB-CB 3.9Å; P205-W222 HydrophobicContact CB-CD2 4.04Å; P205-W222 HydrophobicContact CB-CG 3.66Å; P206-W222 VanDerWaalsContact CD-CH2 3.49Å; P206-W222 VanDerWaalsContact CD-CZ3 3.43Å; P206-W222 HydrophobicContact CG-CE3 4.26Å; P206-W222 HydrophobicContact CG-CH2 3.94Å; P206-W222 HydrophobicContact CG-CZ3 3.78Å; P218-W222 PolarHBondContact O-N 2.91Å; A219-W222 WeakPolarHBondContact O-CB 3.26Å; A219-W222 PolarHBondContact O-N 2.98Å; T220-W222 VanDerWaalsContact C-N 3.33Å; T220-W222 PolarHBondContact O-N 2.72Å; W222-L224 VanDerWaalsContact C-N 3.27Å; W222-L224 PolarHBondContact O-N 3.46Å; W222-G225 WeakPolarHBondContact O-CA 3.4Å; W222-G225 PolarHBondContact O-N 3.48Å; W222-I226 HydrophobicContact CZ2-CD1 4.49Å; W222-I226 PolarHBondContact O-N 3.1Å; W222-F238 AromaticContact CH2-CE2 3.97Å; W222-F238 HydrophobicContact CH2-CE2 3.97Å; W222-F238 HydrophobicContact CZ2-CD2 4.03Å; W222-F238 AromaticContact CZ2-CE2 3.61Å; W222-F238 HydrophobicContact CZ2-CE2 3.61Å; W222-I244 HydrophobicContact CZ2-CG2 3.88Å; W222-A247 HydrophobicContact CH2-CB 3.92Å; W222-A247 HydrophobicContact CZ3-CB 4.42Å; W222-L267 HydrophobicContact CD2-CD2 3.69Å; W222-L267 HydrophobicContact CE3-CB 4.37Å; W222-L267 HydrophobicContact CE3-CD2 3.9Å; W222-L267 HydrophobicContact CG-CD2 4.09Å; W222-L267 HydrophobicContact CH2-CB 4.49Å; W222-L267 HydrophobicContact CH2-CD2 4.4Å; W222-L267 HydrophobicContact CZ2-CD2 4.2Å; W222-L267 HydrophobicContact CZ3-CB 4.15Å; W222-L267 HydrophobicContact CZ3-CD2 4.27Å; W222-L267 VanDerWaalsContact CZ3-O 3.24Å; W222-L267 WeakPolarHBondContact CZ3-O 3.46Å; W222-L267 VanDerWaalsContact O-CD2 3.23Å; W222-L267 WeakPolarHBondContact O-CD2 3.27Å
223	S	98.9	Very high	98.7	Very high	9 Å²	9	18 Å²	18	6%	0.063	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-33.9	178.5	52.4	0	0	0	0	113.1	A219 T220 G225 I226 L227	A219-S223 PolarHBondContact O-N 3.19Å; A219-S223 PolarHBondContact O-OG 3.31Å; T220-S223 WeakPolarHBondContact CA-OG 3.19Å; T220-S223 PolarHBondContact O-N 3.23Å; T220-S223 PolarHBondContact O-OG 3.11Å; S223-G225 VanDerWaalsContact C-N 3.35Å; S223-I226 PolarHBondContact O-N 3.06Å; S223-L227 WeakPolarHBondContact O-CB 3.46Å; S223-L227 PolarHBondContact O-N 2.92Å
224	L	98.9	Very high	98.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-38.3	169.4	-80.2	168.2	0	0	0	112.9	F144 V147 V148 I151 I164 T220 V221 W222 L227 L228 L277 I280	F144-L224 HydrophobicContact CD2-CD2 4.32Å; F144-L224 HydrophobicContact CE2-CB 3.93Å; F144-L224 HydrophobicContact CE2-CD2 3.6Å; F144-L224 HydrophobicContact CE2-CG 4.37Å; F144-L224 VanDerWaalsContact CE2-O 3.28Å; F144-L224 WeakPolarHBondContact CE2-O 3.02Å; F144-L224 HydrophobicContact CZ-CB 4.09Å; F144-L224 HydrophobicContact CZ-CD2 4.21Å; V147-L224 HydrophobicContact CG1-CD2 3.98Å; V148-L224 HydrophobicContact CG2-CD1 4.15Å; V148-L224 HydrophobicContact CG2-CD2 3.97Å; I151-L224 HydrophobicContact CD1-CD1 3.97Å; I151-L224 HydrophobicContact CD1-CD2 3.68Å; I151-L224 HydrophobicContact CD1-CG 3.97Å; I164-L224 HydrophobicContact CG2-CD2 4.34Å; T220-L224 HydrophobicContact CG2-CD1 4.32Å; T220-L224 WeakPolarHBondContact O-CB 3.41Å; T220-L224 WeakPolarHBondContact O-CG 3.1Å; T220-L224 PolarHBondContact O-N 2.79Å; V221-L224 WeakPolarHBondContact O-CB 3.14Å; V221-L224 PolarHBondContact O-N 3.13Å; W222-L224 VanDerWaalsContact C-N 3.27Å; W222-L224 PolarHBondContact O-N 3.46Å; L224-L227 PolarHBondContact O-N 2.8Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 PolarHBondContact O-N 3.16Å; L224-L277 HydrophobicContact CD1-CD2 3.6Å; L224-I280 HydrophobicContact CD1-CD1 4.39Å
225	G	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-41.5	173.9	0	0	0	0	0	112.7	V221 W222 S223 Y229	V221-G225 PolarHBondContact O-N 2.66Å; W222-G225 WeakPolarHBondContact O-CA 3.4Å; W222-G225 PolarHBondContact O-N 3.48Å; S223-G225 VanDerWaalsContact C-N 3.35Å; G225-Y229 WeakPolarHBondContact O-CB 3.1Å; G225-Y229 PolarHBondContact O-N 3.25Å
226	I	98.9	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.9	-49.5	174.7	-57.1	-61.5	0	0	0	110	Y203 W222 S223 L228 Y229 D230 I236 P237 F238 L267	Y203-I226 HydrophobicContact CD1-CB 3.67Å; Y203-I226 HydrophobicContact CD1-CG1 4.41Å; Y203-I226 HydrophobicContact CD1-CG2 3.46Å; Y203-I226 VanDerWaalsContact CD1-CG2 3.46Å; Y203-I226 HydrophobicContact CD2-CG2 4.37Å; Y203-I226 HydrophobicContact CE1-CB 3.8Å; Y203-I226 HydrophobicContact CE1-CG2 3.32Å; Y203-I226 HydrophobicContact CE2-CG2 4.25Å; Y203-I226 HydrophobicContact CG-CB 4.46Å; Y203-I226 HydrophobicContact CG-CG2 4Å; W222-I226 HydrophobicContact CZ2-CD1 4.49Å; W222-I226 PolarHBondContact O-N 3.1Å; S223-I226 PolarHBondContact O-N 3.06Å; I226-L228 VanDerWaalsContact C-N 3.35Å; I226-L228 PolarHBondContact O-N 2.98Å; I226-Y229 WeakPolarHBondContact O-CB 3.26Å; I226-Y229 PolarHBondContact O-N 3.24Å; I226-D230 WeakPolarHBondContact O-CB 3.47Å; I226-D230 PolarHBondContact O-N 2.9Å; I226-I236 HydrophobicContact CG2-CB 4.33Å; I226-I236 HydrophobicContact CG2-CG2 4Å; I226-P237 HydrophobicContact CD1-CG 3.54Å; I226-F238 HydrophobicContact CD1-CD2 3.59Å; I226-F238 HydrophobicContact CD1-CE2 3.63Å; I226-L267 HydrophobicContact CD1-CD1 4.03Å; I226-L267 HydrophobicContact CD1-CD2 3.56Å; I226-L267 HydrophobicContact CD1-CG 4.48Å; I226-L267 HydrophobicContact CG1-CD2 3.87Å
227	L	98.9	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.9	-43.5	178.7	178.5	62.8	0	0	0	112.4	L125 V147 I164 D166 I169 Y203 S223 L224 D230 M231	L125-L227 HydrophobicContact CD2-CD1 3.92Å; V147-L227 HydrophobicContact CG1-CD2 4.02Å; I164-L227 HydrophobicContact CG2-CD2 3.9Å; D166-L227 HydrophobicContact CB-CD1 4.06Å; I169-L227 HydrophobicContact CG1-CD2 4.42Å; Y203-L227 HydrophobicContact CE1-CB 4.44Å; S223-L227 WeakPolarHBondContact O-CB 3.46Å; S223-L227 PolarHBondContact O-N 2.92Å; L224-L227 PolarHBondContact O-N 2.8Å; L227-D230 PolarHBondContact O-N 3.36Å; L227-M231 HydrophobicContact CD1-CE 3.93Å; L227-M231 HydrophobicContact CD2-CE 3.96Å; L227-M231 HydrophobicContact CG-CE 3.73Å; L227-M231 VanDerWaalsContact O-CG 3.31Å; L227-M231 WeakPolarHBondContact O-CG 3.23Å; L227-M231 PolarHBondContact O-N 3.23Å
228	L	98.9	Very high	98.7	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.1	-42.3	178.6	178	57	0	0	0	111.4	F144 L224 I226 D230 M231 V232 L262 I263 W285	F144-L228 HydrophobicContact CB-CD1 4.3Å; F144-L228 HydrophobicContact CD1-CD1 4.34Å; F144-L228 HydrophobicContact CD1-CD2 4.22Å; F144-L228 HydrophobicContact CD2-CB 3.92Å; F144-L228 HydrophobicContact CD2-CD1 4.31Å; F144-L228 HydrophobicContact CE1-CD2 3.95Å; F144-L228 HydrophobicContact CE2-CB 3.73Å; F144-L228 HydrophobicContact CG-CB 4.46Å; F144-L228 HydrophobicContact CG-CD1 4.07Å; F144-L228 HydrophobicContact CZ-CB 4.1Å; F144-L228 HydrophobicContact CZ-CD2 4.12Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 PolarHBondContact O-N 3.16Å; I226-L228 VanDerWaalsContact C-N 3.35Å; I226-L228 PolarHBondContact O-N 2.98Å; L228-D230 VanDerWaalsContact C-N 3.34Å; L228-M231 PolarHBondContact O-N 2.93Å; L228-V232 HydrophobicContact CD1-CG1 4.33Å; L228-V232 WeakPolarHBondContact O-CG2 3.44Å; L228-V232 PolarHBondContact O-N 2.89Å; L228-L262 HydrophobicContact CD2-CD2 3.84Å; L228-L262 HydrophobicContact CD2-CG 4.08Å; L228-I263 HydrophobicContact CB-CG1 4.22Å; L228-I263 HydrophobicContact CD2-CD1 4.33Å; L228-I263 HydrophobicContact CD2-CG1 3.6Å; L228-I263 HydrophobicContact CG-CD1 4.01Å; L228-I263 HydrophobicContact CG-CG1 3.7Å; L228-W285 HydrophobicContact CD1-CH2 3.47Å; L228-W285 VanDerWaalsContact CD1-CH2 3.47Å; L228-W285 HydrophobicContact CD1-CZ2 4.34Å; L228-W285 HydrophobicContact CD1-CZ3 3.75Å; L228-W285 HydrophobicContact CD2-CE3 4.48Å; L228-W285 HydrophobicContact CD2-CH2 4.49Å; L228-W285 HydrophobicContact CD2-CZ3 4.05Å
229	Y	98.9	Very high	98.6	Very high	26 Å²	26	19.1 Å²	19.1	10%	0.102	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-49.5	174.3	-178.2	-78.4	0	0	0	110.4	G225 I226 M231 V232 C233 D235 P237 L249 H250 F251 I263	G225-Y229 WeakPolarHBondContact O-CB 3.1Å; G225-Y229 PolarHBondContact O-N 3.25Å; I226-Y229 WeakPolarHBondContact O-CB 3.26Å; I226-Y229 PolarHBondContact O-N 3.24Å; Y229-M231 PolarHBondContact O-N 3.43Å; Y229-V232 PolarHBondContact O-N 3.3Å; Y229-V232 VanDerWaalsContact O-N 3.13Å; Y229-C233 HydrophobicContact CD1-CB 3.84Å; Y229-C233 HydrophobicContact CE1-CB 3.54Å; Y229-C233 HydrophobicContact CG-CB 4.47Å; Y229-C233 VanDerWaalsContact CZ-SG 3.58Å; Y229-C233 WeakPolarHBondContact O-CB 3.48Å; Y229-C233 PolarHBondContact O-N 3.03Å; Y229-D235 WeakPolarHBondContact CD1-O 3.36Å; Y229-D235 WeakPolarHBondContact CE1-O 3.31Å; Y229-P237 HydrophobicContact CD1-CB 3.74Å; Y229-P237 HydrophobicContact CD1-CG 3.94Å; Y229-P237 HydrophobicContact CD2-CB 4Å; Y229-P237 HydrophobicContact CD2-CG 4.45Å; Y229-P237 HydrophobicContact CE1-CB 3.68Å; Y229-P237 HydrophobicContact CE1-CG 4.36Å; Y229-P237 HydrophobicContact CE2-CB 3.94Å; Y229-P237 HydrophobicContact CG-CB 3.91Å; Y229-P237 HydrophobicContact CG-CG 3.99Å; Y229-L249 HydrophobicContact CD2-CD2 4.08Å; Y229-L249 HydrophobicContact CE2-CD2 4.17Å; Y229-H250 WeakPolarHBondContact CE2-O 3.35Å; Y229-H250 PolarHBondContact OH-O 2.97Å; Y229-F251 HydrophobicContact CD2-CD1 4.14Å; Y229-F251 AromaticContact CD2-CE1 3.61Å; Y229-F251 HydrophobicContact CD2-CE1 3.61Å; Y229-F251 HydrophobicContact CD2-CZ 4.28Å; Y229-F251 AromaticContact CE2-CD1 3.97Å; Y229-F251 HydrophobicContact CE2-CD1 3.97Å; Y229-F251 AromaticContact CE2-CE1 3.84Å; Y229-F251 HydrophobicContact CE2-CE1 3.84Å; Y229-F251 HydrophobicContact CE2-CZ 4.47Å; Y229-I263 HydrophobicContact CD2-CG2 4.22Å
230	D	98.8	Very high	98.6	Very high	6 Å²	6	26 Å²	26	3%	0.032	13%	0.131	C	C	.	.	H	α-helix	trans	-56	-46.1	177.8	176.7	49	0	0	0	112.4	I129 I226 L227 L228 V232 G234 D235 I236	I129-D230 WeakPolarHBondContact CD1-OD2 3.35Å; I226-D230 WeakPolarHBondContact O-CB 3.47Å; I226-D230 PolarHBondContact O-N 2.9Å; L227-D230 PolarHBondContact O-N 3.36Å; L228-D230 VanDerWaalsContact C-N 3.34Å; D230-V232 VanDerWaalsContact C-N 3.34Å; D230-V232 PolarHBondContact O-N 3.49Å; D230-G234 WeakPolarHBondContact O-CA 3.34Å; D230-G234 PolarHBondContact O-N 3.05Å; D230-D235 WeakPolarHBondContact CA-O 3.5Å; D230-D235 WeakPolarHBondContact OD1-CA 3.19Å; D230-D235 PolarHBondContact OD1-N 2.98Å; D230-I236 HydrophobicContact CB-CG2 4.29Å
231	M	98.8	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-38.5	176.1	-69.4	174.8	-178.7	0	0	114.1	L125 I129 L135 S140 F143 F144 L227 L228 Y229	L125-M231 HydrophobicContact CD2-CE 3.32Å; L125-M231 HydrophobicContact CD2-CG 4.11Å; I129-M231 HydrophobicContact CD1-CG 4.31Å; L135-M231 HydrophobicContact CD1-CB 4.4Å; L135-M231 HydrophobicContact CD1-CG 4.39Å; L135-M231 PolarHBondContact N-O 2.7Å; S140-M231 WeakPolarHBondContact OG-CB 3.38Å; S140-M231 PolarHBondContact OG-O 3.2Å; F143-M231 HydrophobicContact CB-CE 4.13Å; F143-M231 HydrophobicContact CB-SD 4.5Å; F144-M231 HydrophobicContact CB-SD 4.18Å; L227-M231 HydrophobicContact CD1-CE 3.93Å; L227-M231 HydrophobicContact CD2-CE 3.96Å; L227-M231 HydrophobicContact CG-CE 3.73Å; L227-M231 VanDerWaalsContact O-CG 3.31Å; L227-M231 WeakPolarHBondContact O-CG 3.23Å; L227-M231 PolarHBondContact O-N 3.23Å; L228-M231 PolarHBondContact O-N 2.93Å; Y229-M231 PolarHBondContact O-N 3.43Å
232	V	98.6	Very high	98.5	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-95.5	-17.9	-175.2	-59.3	0	0	0	0	114.3	P134 E137 L228 Y229 D230 H254 V255 I263	P134-V232 WeakPolarHBondContact CB-O 3.21Å; E137-V232 HydrophobicContact CG-CG1 4.38Å; L228-V232 HydrophobicContact CD1-CG1 4.33Å; L228-V232 WeakPolarHBondContact O-CG2 3.44Å; L228-V232 PolarHBondContact O-N 2.89Å; Y229-V232 PolarHBondContact O-N 3.3Å; Y229-V232 VanDerWaalsContact O-N 3.13Å; D230-V232 VanDerWaalsContact C-N 3.34Å; D230-V232 PolarHBondContact O-N 3.49Å; V232-H254 PolarHBondContact O-NE2 2.84Å; V232-V255 HydrophobicContact CB-CG2 4.35Å; V232-V255 HydrophobicContact CG2-CG1 4.04Å; V232-V255 HydrophobicContact CG2-CG2 4.11Å; V232-I263 HydrophobicContact CG2-CD1 3.88Å
233	C	98.4	Very high	98.5	Very high	21 Å²	21	35.8 Å²	35.8	14%	0.142	18%	0.179	C	C	.	.	H	α-helix	trans	-108	-19	-179.8	-64.6	0	0	0	0	113	P134 Y229 D235 P252	P134-C233 WeakPolarHBondContact CG-O 3.29Å; Y229-C233 HydrophobicContact CD1-CB 3.84Å; Y229-C233 HydrophobicContact CE1-CB 3.54Å; Y229-C233 HydrophobicContact CG-CB 4.47Å; Y229-C233 VanDerWaalsContact CZ-SG 3.58Å; Y229-C233 WeakPolarHBondContact O-CB 3.48Å; Y229-C233 PolarHBondContact O-N 3.03Å; C233-D235 VanDerWaalsContact C-N 3.27Å; C233-P252 VanDerWaalsContact SG-CD 3.58Å
234	G	97.9	Very high	98.5	Very high	28 Å²	28	35.4 Å²	35.4	29%	0.289	18%	0.176	S	C	.	.	S	Bend	trans	77.1	8.8	-178	0	0	0	0	0	114.7	D230	D230-G234 WeakPolarHBondContact O-CA 3.34Å; D230-G234 PolarHBondContact O-N 3.05Å
235	D	97.9	Very high	98.5	Very high	93 Å²	93	38.6 Å²	38.6	50%	0.497	19%	0.193	S	C	.	.	S	Bend	trans	-159.9	160.6	176.1	-155.3	-10.5	0	0	0	109.7	Y229 D230 C233	Y229-D235 WeakPolarHBondContact CD1-O 3.36Å; Y229-D235 WeakPolarHBondContact CE1-O 3.31Å; D230-D235 WeakPolarHBondContact CA-O 3.5Å; D230-D235 WeakPolarHBondContact OD1-CA 3.19Å; D230-D235 PolarHBondContact OD1-N 2.98Å; C233-D235 VanDerWaalsContact C-N 3.27Å
236	I	98.4	Very high	98.4	Very high	36 Å²	36	43.8 Å²	43.8	19%	0.185	22%	0.217	C	C	.	.			trans	-72.8	152.7	178.5	59.3	174.6	0	0	0	111.9	V202 Y203 I226 D230 F238	V202-I236 HydrophobicContact CB-CD1 3.87Å; V202-I236 HydrophobicContact CG1-CD1 4.36Å; V202-I236 HydrophobicContact CG2-CD1 3.61Å; Y203-I236 HydrophobicContact CE2-CG2 4.04Å; I226-I236 HydrophobicContact CG2-CB 4.33Å; I226-I236 HydrophobicContact CG2-CG2 4Å; D230-I236 HydrophobicContact CB-CG2 4.29Å; I236-F238 WeakPolarHBondContact CD1-O 3.46Å
237	P	98.4	Very high	98.3	Very high	24 Å²	24	44.6 Å²	44.6	16%	0.156	22%	0.223	C	C	.	.	S	Bend	trans	-79.4	-20.7	-176.5	29.4	-30.7	0	0	0	114.2	I226 Y229 L249 L267	I226-P237 HydrophobicContact CD1-CG 3.54Å; Y229-P237 HydrophobicContact CD1-CB 3.74Å; Y229-P237 HydrophobicContact CD1-CG 3.94Å; Y229-P237 HydrophobicContact CD2-CB 4Å; Y229-P237 HydrophobicContact CD2-CG 4.45Å; Y229-P237 HydrophobicContact CE1-CB 3.68Å; Y229-P237 HydrophobicContact CE1-CG 4.36Å; Y229-P237 HydrophobicContact CE2-CB 3.94Å; Y229-P237 HydrophobicContact CG-CB 3.91Å; Y229-P237 HydrophobicContact CG-CG 3.99Å; P237-L249 HydrophobicContact CB-CD2 3.61Å; P237-L249 HydrophobicContact CG-CD2 4.19Å; P237-L267 HydrophobicContact CG-CD1 4.27Å
238	F	98.6	Very high	98.3	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.013	25%	0.251	C	S	.	.			trans	-137.8	133.2	-171.8	-42.8	-53.7	0	0	0	110.9	W222 I226 I236 E243 I244 A247 L249 L267	W222-F238 AromaticContact CH2-CE2 3.97Å; W222-F238 HydrophobicContact CH2-CE2 3.97Å; W222-F238 HydrophobicContact CZ2-CD2 4.03Å; W222-F238 AromaticContact CZ2-CE2 3.61Å; W222-F238 HydrophobicContact CZ2-CE2 3.61Å; I226-F238 HydrophobicContact CD1-CD2 3.59Å; I226-F238 HydrophobicContact CD1-CE2 3.63Å; I236-F238 WeakPolarHBondContact CD1-O 3.46Å; F238-E243 HydrophobicContact CB-CB 3.97Å; F238-E243 HydrophobicContact CD1-CB 3.98Å; F238-E243 HydrophobicContact CG-CB 4.34Å; F238-I244 HydrophobicContact CB-CG1 3.71Å; F238-I244 HydrophobicContact CD2-CG1 4.22Å; F238-I244 HydrophobicContact CG-CG1 4.24Å; F238-A247 HydrophobicContact CZ-CB 4.36Å; F238-L249 HydrophobicContact CE1-CD2 3.99Å; F238-L249 HydrophobicContact CE1-CG 4.49Å; F238-L249 HydrophobicContact CZ-CD2 3.65Å; F238-L249 HydrophobicContact CZ-CG 4.16Å; F238-L267 HydrophobicContact CE2-CD1 4.18Å; F238-L267 HydrophobicContact CZ-CD1 4.34Å
239	E	97.4	Very high	98.2	Very high	137 Å²	137	51.7 Å²	51.7	64%	0.64	26%	0.257	S	S	*	.	S	Bend	trans	-112	-25.5	176.6	-63.9	-175.3	164.7	0	0	112.1	E243	E239-E243 PolarHBondContact N-OE2 3.06Å
240	R	98.2	Very high	98.2	Very high	153 Å²	153	56.4 Å²	56.4	58%	0.577	28%	0.28	S	S	*	.	S	Bend	trans	-119.3	149.3	-173.3	-57.9	177.4	-66.3	160.4	2.6	111.4	Q242 E243 I244	R240-Q242 PolarHBondContact O-N 3.24Å; R240-Q242 VanDerWaalsContact O-N 3.09Å; R240-E243 HydrophobicContact CB-CG 4.44Å; R240-E243 WeakPolarHBondContact CB-OE2 3.23Å; R240-E243 IonicContact CZ-OE1 3.32Å; R240-E243 PolarHBondContact N-OE2 3.37Å; R240-E243 IonicContact NE-OE1 3.05Å; R240-E243 PolarHBondContact NE-OE1 2.98Å; R240-E243 IonicContact NE-OE2 3.53Å; R240-E243 IonicContact NH2-OE1 2.73Å; R240-E243 PolarHBondContact NH2-OE1 3.39Å; R240-E243 WeakPolarHBondContact O-CB 3.27Å; R240-E243 PolarHBondContact O-N 3.32Å; R240-I244 PolarHBondContact O-N 2.78Å; R240-I244 VanDerWaalsContact O-N 3.14Å
241	D	98.3	Very high	98.1	Very high	62 Å²	62	58.2 Å²	58.2	33%	0.332	29%	0.287	S	S	.	.	H	α-helix	trans	-50.4	-39	176.8	-71.4	1.8	0	0	0	113.1	R201 I209 E243 I244 L245	R201-D241 IonicContact CZ-OD1 3.9Å; R201-D241 IonicContact CZ-OD2 3.24Å; R201-D241 IonicContact NE-OD1 2.68Å; R201-D241 PolarHBondContact NE-OD1 3.07Å; R201-D241 IonicContact NE-OD2 3.02Å; R201-D241 VanDerWaalsContact NH2-CG 3.32Å; R201-D241 IonicContact NH2-OD1 3.99Å; R201-D241 PolarHBondContact NH2-OD1 2.91Å; R201-D241 IonicContact NH2-OD2 2.71Å; R201-D241 PolarHBondContact NH2-OD2 3.27Å; I209-D241 HydrophobicContact CG2-CB 3.84Å; D241-E243 VanDerWaalsContact C-N 3.34Å; D241-E243 PolarHBondContact O-N 3Å; D241-I244 PolarHBondContact O-N 3.1Å; D241-L245 VanDerWaalsContact O-CG 3.23Å; D241-L245 WeakPolarHBondContact O-CG 3.37Å; D241-L245 PolarHBondContact O-N 3.47Å
242	Q	98.2	Very high	97.9	Very high	104 Å²	104	60.4 Å²	60.4	49%	0.486	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-40.1	179.2	-170.9	60.4	39.5	0	0	112.1	R240 L245 E246	R240-Q242 PolarHBondContact O-N 3.24Å; R240-Q242 VanDerWaalsContact O-N 3.09Å; Q242-L245 PolarHBondContact O-N 2.97Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.36Å; Q242-E246 PolarHBondContact NE2-OE1 3.48Å; Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 VanDerWaalsContact O-CG 3.31Å; Q242-E246 WeakPolarHBondContact O-CG 3.5Å; Q242-E246 PolarHBondContact O-N 3.06Å
243	E	98.5	Very high	97.8	Very high	48 Å²	48	65.7 Å²	65.7	22%	0.224	35%	0.346	C	S	.	.	H	α-helix	trans	-69	-38.5	178.6	-65.6	160.9	164.9	0	0	110.8	F238 E239 R240 D241 L245 E246 A247	F238-E243 HydrophobicContact CB-CB 3.97Å; F238-E243 HydrophobicContact CD1-CB 3.98Å; F238-E243 HydrophobicContact CG-CB 4.34Å; E239-E243 PolarHBondContact N-OE2 3.06Å; R240-E243 HydrophobicContact CB-CG 4.44Å; R240-E243 WeakPolarHBondContact CB-OE2 3.23Å; R240-E243 IonicContact CZ-OE1 3.32Å; R240-E243 PolarHBondContact N-OE2 3.37Å; R240-E243 IonicContact NE-OE1 3.05Å; R240-E243 PolarHBondContact NE-OE1 2.98Å; R240-E243 IonicContact NE-OE2 3.53Å; R240-E243 IonicContact NH2-OE1 2.73Å; R240-E243 PolarHBondContact NH2-OE1 3.39Å; R240-E243 WeakPolarHBondContact O-CB 3.27Å; R240-E243 PolarHBondContact O-N 3.32Å; D241-E243 VanDerWaalsContact C-N 3.34Å; D241-E243 PolarHBondContact O-N 3Å; E243-L245 VanDerWaalsContact C-N 3.32Å; E243-L245 PolarHBondContact O-N 3.29Å; E243-E246 PolarHBondContact O-N 3.42Å; E243-A247 WeakPolarHBondContact O-CA 3.16Å; E243-A247 PolarHBondContact O-N 3.03Å
244	I	98.6	Very high	97.6	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-42.6	173.6	-61.5	170.8	0	0	0	110.6	S204 P206 I209 W222 F238 R240 D241	S204-I244 WeakPolarHBondContact O-CG2 3.28Å; P206-I244 HydrophobicContact CB-CG2 4.43Å; I209-I244 HydrophobicContact CD1-CD1 4.31Å; I209-I244 HydrophobicContact CG1-CB 4.41Å; I209-I244 HydrophobicContact CG1-CD1 4.36Å; I209-I244 HydrophobicContact CG1-CG2 3.82Å; W222-I244 HydrophobicContact CZ2-CG2 3.88Å; F238-I244 HydrophobicContact CB-CG1 3.71Å; F238-I244 HydrophobicContact CD2-CG1 4.22Å; F238-I244 HydrophobicContact CG-CG1 4.24Å; R240-I244 PolarHBondContact O-N 2.78Å; R240-I244 VanDerWaalsContact O-N 3.14Å; D241-I244 PolarHBondContact O-N 3.1Å
245	L	98.3	Very high	97.6	Very high	67 Å²	67	69.4 Å²	69.4	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-69.8	-36.7	179.8	-70.1	170.7	0	0	0	112.8	P206 I209 D241 Q242 E243	P206-L245 HydrophobicContact CB-CD2 4.19Å; I209-L245 HydrophobicContact CB-CD2 4.07Å; I209-L245 HydrophobicContact CB-CG 4.44Å; I209-L245 HydrophobicContact CG2-CD1 3.99Å; I209-L245 HydrophobicContact CG2-CD2 3.92Å; I209-L245 HydrophobicContact CG2-CG 3.87Å; D241-L245 VanDerWaalsContact O-CG 3.23Å; D241-L245 WeakPolarHBondContact O-CG 3.37Å; D241-L245 PolarHBondContact O-N 3.47Å; Q242-L245 PolarHBondContact O-N 2.97Å; E243-L245 VanDerWaalsContact C-N 3.32Å; E243-L245 PolarHBondContact O-N 3.29Å
246	E	97.6	Very high	97.6	Very high	109 Å²	109	66.5 Å²	66.5	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-76.8	-32.9	177.7	-73	168.2	179.2	0	0	112.2	Q242 E243 E248	Q242-E246 WeakPolarHBondContact CG-OE1 3.36Å; Q242-E246 PolarHBondContact NE2-OE1 3.48Å; Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 VanDerWaalsContact O-CG 3.31Å; Q242-E246 WeakPolarHBondContact O-CG 3.5Å; Q242-E246 PolarHBondContact O-N 3.06Å; E243-E246 PolarHBondContact O-N 3.42Å; E246-E248 PolarHBondContact O-N 3.31Å
247	A	97.4	Very high	97.5	Very high	16 Å²	16	69.9 Å²	69.9	13%	0.132	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	34.5	-177.6	0	0	0	0	0	113.6	W222 F238 E243 L249 P269	W222-A247 HydrophobicContact CH2-CB 3.92Å; W222-A247 HydrophobicContact CZ3-CB 4.42Å; F238-A247 HydrophobicContact CZ-CB 4.36Å; E243-A247 WeakPolarHBondContact O-CA 3.16Å; E243-A247 PolarHBondContact O-N 3.03Å; A247-L249 PolarHBondContact O-N 3.46Å; A247-P269 HydrophobicContact CB-CG 3.8Å
248	E	97.8	Very high	97.5	Very high	125 Å²	125	72.9 Å²	72.9	58%	0.584	38%	0.38	S	S	*	.			trans	-79.6	117.7	177.9	-172.4	172.1	-172	0	0	110.6	E246 H250	E246-E248 PolarHBondContact O-N 3.31Å; E248-H250 IonicContact OE1-CE1 3.32Å; E248-H250 IonicContact OE1-NE2 2.83Å
249	L	97.9	Very high	97.5	Very high	24 Å²	24	72.7 Å²	72.7	13%	0.126	38%	0.379	C	S	.	.			trans	-105.8	129	-173.9	-70	163	0	0	0	111.9	Y229 P237 F238 A247 F251 I263 R264 L267	Y229-L249 HydrophobicContact CD2-CD2 4.08Å; Y229-L249 HydrophobicContact CE2-CD2 4.17Å; P237-L249 HydrophobicContact CB-CD2 3.61Å; P237-L249 HydrophobicContact CG-CD2 4.19Å; F238-L249 HydrophobicContact CE1-CD2 3.99Å; F238-L249 HydrophobicContact CE1-CG 4.49Å; F238-L249 HydrophobicContact CZ-CD2 3.65Å; F238-L249 HydrophobicContact CZ-CG 4.16Å; A247-L249 PolarHBondContact O-N 3.46Å; L249-F251 HydrophobicContact CB-CD2 4.35Å; L249-F251 HydrophobicContact CB-CE2 3.56Å; L249-F251 HydrophobicContact CB-CZ 3.91Å; L249-F251 HydrophobicContact CD1-CE2 4.32Å; L249-F251 HydrophobicContact CD1-CZ 4.07Å; L249-F251 HydrophobicContact CG-CE2 4.49Å; L249-F251 HydrophobicContact CG-CZ 4.42Å; L249-I263 HydrophobicContact CD1-CG2 4.25Å; L249-R264 HydrophobicContact CD1-CG 3.82Å; L249-L267 HydrophobicContact CD1-CB 4.12Å; L249-L267 HydrophobicContact CD1-CD1 3.99Å; L249-L267 HydrophobicContact CD2-CD1 3.69Å; L249-L267 HydrophobicContact CG-CD1 4.41Å
250	H	97.1	Very high	97.6	Very high	125 Å²	125	66.6 Å²	66.6	58%	0.579	35%	0.352	S	S	*	.			trans	-110.4	126.6	174.3	-63.4	91.2	0	0	0	109.1	Y229 E248	Y229-H250 WeakPolarHBondContact CE2-O 3.35Å; Y229-H250 PolarHBondContact OH-O 2.97Å; E248-H250 IonicContact OE1-CE1 3.32Å; E248-H250 IonicContact OE1-NE2 2.83Å
251	F	97.8	Very high	97.6	Very high	44 Å²	44	61.4 Å²	61.4	19%	0.193	34%	0.341	C	S	.	.			trans	-114.2	135.6	-178.4	-66.2	-82.8	0	0	0	110.7	Y229 L249 V255 C260 I263 R264	Y229-F251 HydrophobicContact CD2-CD1 4.14Å; Y229-F251 AromaticContact CD2-CE1 3.61Å; Y229-F251 HydrophobicContact CD2-CE1 3.61Å; Y229-F251 HydrophobicContact CD2-CZ 4.28Å; Y229-F251 AromaticContact CE2-CD1 3.97Å; Y229-F251 HydrophobicContact CE2-CD1 3.97Å; Y229-F251 AromaticContact CE2-CE1 3.84Å; Y229-F251 HydrophobicContact CE2-CE1 3.84Å; Y229-F251 HydrophobicContact CE2-CZ 4.47Å; L249-F251 HydrophobicContact CB-CD2 4.35Å; L249-F251 HydrophobicContact CB-CE2 3.56Å; L249-F251 HydrophobicContact CB-CZ 3.91Å; L249-F251 HydrophobicContact CD1-CE2 4.32Å; L249-F251 HydrophobicContact CD1-CZ 4.07Å; L249-F251 HydrophobicContact CG-CE2 4.49Å; L249-F251 HydrophobicContact CG-CZ 4.42Å; F251-V255 HydrophobicContact CD1-CG1 4.3Å; F251-C260 HydrophobicContact CD1-CB 4.43Å; F251-C260 HydrophobicContact CD2-CB 4.2Å; F251-C260 HydrophobicContact CE1-CB 4.37Å; F251-C260 HydrophobicContact CE2-CB 4.14Å; F251-C260 HydrophobicContact CG-CB 4.33Å; F251-C260 WeakPolarHBondContact CG-SG 3.38Å; F251-C260 HydrophobicContact CZ-CB 4.22Å; F251-I263 HydrophobicContact CE1-CB 4.13Å; F251-I263 HydrophobicContact CE1-CD1 3.73Å; F251-I263 HydrophobicContact CE1-CG2 3.93Å; F251-I263 HydrophobicContact CZ-CB 4.05Å; F251-I263 HydrophobicContact CZ-CD1 4.49Å; F251-I263 HydrophobicContact CZ-CG2 3.78Å; F251-R264 HydrophobicContact CE2-CG 4.18Å; F251-R264 HydrophobicContact CZ-CG 4.38Å
252	P	95.3	Very high	97.6	Very high	47 Å²	47	58.4 Å²	58.4	31%	0.305	33%	0.325	S	S	.	.			trans	-58.6	150.9	165.4	-23.8	34.8	0	0	0	111.7	C233 H254 V255	C233-P252 VanDerWaalsContact SG-CD 3.58Å; P252-H254 WeakPolarHBondContact CB-CE1 3.47Å; P252-H254 VanDerWaalsContact CB-ND1 3.27Å; P252-H254 WeakPolarHBondContact CB-ND1 3.39Å; P252-H254 PolarHBondContact O-N 2.89Å; P252-V255 HydrophobicContact CB-CG2 4.42Å; P252-V255 HydrophobicContact CG-CG2 4.48Å; P252-V255 PolarHBondContact O-N 3.24Å; P252-V255 VanDerWaalsContact O-N 3.1Å
253	A	94.7	Very high	97.6	Very high	113 Å²	113	53.5 Å²	53.5	93%	0.934	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.2	-178.1	0	0	0	0	0	114.3	V255	A253-V255 VanDerWaalsContact C-N 3.35Å
254	H	94.5	Very high	97.7	Very high	115 Å²	115	57.5 Å²	57.5	53%	0.532	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.2	178.2	68.1	-99.7	0	0	0	113.8	V232 P252	V232-H254 PolarHBondContact O-NE2 2.84Å; P252-H254 WeakPolarHBondContact CB-CE1 3.47Å; P252-H254 VanDerWaalsContact CB-ND1 3.27Å; P252-H254 WeakPolarHBondContact CB-ND1 3.39Å; P252-H254 PolarHBondContact O-N 2.89Å
255	V	97.8	Very high	97.7	Very high	11 Å²	11	62.7 Å²	62.7	7%	0.067	34%	0.335	C	S	.	.	S	Bend	trans	-86.2	125.4	178.4	-172.3	0	0	0	0	109.4	V232 F251 P252 A253 C259	V232-V255 HydrophobicContact CB-CG2 4.35Å; V232-V255 HydrophobicContact CG2-CG1 4.04Å; V232-V255 HydrophobicContact CG2-CG2 4.11Å; F251-V255 HydrophobicContact CD1-CG1 4.3Å; P252-V255 HydrophobicContact CB-CG2 4.42Å; P252-V255 HydrophobicContact CG-CG2 4.48Å; P252-V255 PolarHBondContact O-N 3.24Å; P252-V255 VanDerWaalsContact O-N 3.1Å; A253-V255 VanDerWaalsContact C-N 3.35Å; V255-C259 HydrophobicContact CG1-CB 3.8Å
256	S	97.8	Very high	97.7	Very high	32 Å²	32	59.5 Å²	59.5	22%	0.224	32%	0.318	C	S	.	.			trans	-65.3	151.5	-175.8	72	0	0	0	0	111.8	E137 D258 C259 C260	E137-S256 WeakPolarHBondContact OE1-CA 3.34Å; E137-S256 WeakPolarHBondContact OE1-CB 3.42Å; E137-S256 PolarHBondContact OE1-N 3.25Å; E137-S256 PolarHBondContact OE1-OG 3.29Å; E137-S256 WeakPolarHBondContact OE2-CB 3.37Å; E137-S256 PolarHBondContact OE2-OG 2.73Å; S256-D258 PolarHBondContact O-N 2.92Å; S256-C259 PolarHBondContact O-N 3.18Å; S256-C259 WeakPolarHBondContact OG-CB 3.27Å; S256-C259 PolarHBondContact OG-N 3.32Å; S256-C260 PolarHBondContact O-N 2.7Å; S256-C260 PolarHBondContact O-SG 3.24Å
257	P	97.9	Very high	97.7	Very high	108 Å²	108	54.4 Å²	54.4	70%	0.701	29%	0.294	S	S	*	.	H	α-helix	trans	-55.2	-36.5	175.4	-27.5	36	0	0	0	113.6	C260 A261	P257-C260 PolarHBondContact O-N 3.19Å; P257-A261 WeakPolarHBondContact O-CB 3.48Å; P257-A261 PolarHBondContact O-N 3.36Å
258	D	97.9	Very high	97.8	Very high	86 Å²	86	54.4 Å²	54.4	46%	0.46	29%	0.294	S	S	.	.	H	α-helix	trans	-70.3	-43	-179.3	-66.2	-21.5	0	0	0	111.4	S256 A261 L262 W285	S256-D258 PolarHBondContact O-N 2.92Å; D258-A261 WeakPolarHBondContact O-CB 3.43Å; D258-A261 PolarHBondContact O-N 2.7Å; D258-L262 PolarHBondContact O-N 3.46Å; D258-W285 HydrophobicContact CB-CB 4.03Å
259	C	98.6	Very high	97.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-47.4	173.7	-167.3	0	0	0	0	111	V255 S256 A261 L262 I263 W285	V255-C259 HydrophobicContact CG1-CB 3.8Å; S256-C259 PolarHBondContact O-N 3.18Å; S256-C259 WeakPolarHBondContact OG-CB 3.27Å; S256-C259 PolarHBondContact OG-N 3.32Å; C259-A261 PolarHBondContact O-N 2.95Å; C259-L262 PolarHBondContact O-N 3.19Å; C259-I263 WeakPolarHBondContact O-CG1 3.28Å; C259-I263 PolarHBondContact O-N 3.02Å; C259-W285 HydrophobicContact CB-CD2 4.26Å; C259-W285 HydrophobicContact CB-CG 4.12Å; C259-W285 HydrophobicContact CB-CZ2 4.43Å
260	C	98.7	Very high	97.8	Very high	9 Å²	9	57 Å²	57	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-38.7	176	-63.9	0	0	0	0	111.9	F251 S256 P257 R264	F251-C260 HydrophobicContact CD1-CB 4.43Å; F251-C260 HydrophobicContact CD2-CB 4.2Å; F251-C260 HydrophobicContact CE1-CB 4.37Å; F251-C260 HydrophobicContact CE2-CB 4.14Å; F251-C260 HydrophobicContact CG-CB 4.33Å; F251-C260 WeakPolarHBondContact CG-SG 3.38Å; F251-C260 HydrophobicContact CZ-CB 4.22Å; S256-C260 PolarHBondContact O-N 2.7Å; S256-C260 PolarHBondContact O-SG 3.24Å; P257-C260 PolarHBondContact O-N 3.19Å; C260-R264 WeakPolarHBondContact O-CB 3.25Å; C260-R264 VanDerWaalsContact O-CG 3.27Å; C260-R264 WeakPolarHBondContact O-CG 3.49Å; C260-R264 PolarHBondContact O-N 3.38Å
261	A	98.6	Very high	97.9	Very high	43 Å²	43	53.1 Å²	53.1	36%	0.355	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-45.9	178.8	0	0	0	0	0	111.5	P257 D258 C259 R264 R265	P257-A261 WeakPolarHBondContact O-CB 3.48Å; P257-A261 PolarHBondContact O-N 3.36Å; D258-A261 WeakPolarHBondContact O-CB 3.43Å; D258-A261 PolarHBondContact O-N 2.7Å; C259-A261 PolarHBondContact O-N 2.95Å; A261-R264 PolarHBondContact O-N 3.42Å; A261-R265 WeakPolarHBondContact O-CG 3.46Å; A261-R265 PolarHBondContact O-N 3.48Å
262	L	98.8	Very high	97.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-49.5	175.3	176.8	55.9	0	0	0	111.5	F144 L228 D258 C259 R264 R265 C266 I280 D283 W285 M286	F144-L262 HydrophobicContact CE1-CD2 4.24Å; L228-L262 HydrophobicContact CD2-CD2 3.84Å; L228-L262 HydrophobicContact CD2-CG 4.08Å; D258-L262 PolarHBondContact O-N 3.46Å; C259-L262 PolarHBondContact O-N 3.19Å; L262-R264 VanDerWaalsContact C-N 3.34Å; L262-R264 PolarHBondContact O-N 2.91Å; L262-R265 PolarHBondContact O-N 3.49Å; L262-R265 VanDerWaalsContact O-N 3.1Å; L262-C266 PolarHBondContact O-N 2.81Å; L262-C266 PolarHBondContact O-SG 3.22Å; L262-I280 HydrophobicContact CD1-CG1 4.33Å; L262-I280 HydrophobicContact CD1-CG2 4.42Å; L262-D283 HydrophobicContact CD1-CB 4.07Å; L262-D283 HydrophobicContact CD2-CB 4.18Å; L262-W285 HydrophobicContact CD2-CE3 3.67Å; L262-W285 HydrophobicContact CD2-CZ3 4.3Å; L262-M286 HydrophobicContact CD2-CG 4.17Å
263	I	98.9	Very high	98	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57	-47.2	178.9	-66.9	166.5	0	0	0	110.7	L228 Y229 V232 L249 F251 C259 R265 C266 L267	L228-I263 HydrophobicContact CB-CG1 4.22Å; L228-I263 HydrophobicContact CD2-CD1 4.33Å; L228-I263 HydrophobicContact CD2-CG1 3.6Å; L228-I263 HydrophobicContact CG-CD1 4.01Å; L228-I263 HydrophobicContact CG-CG1 3.7Å; Y229-I263 HydrophobicContact CD2-CG2 4.22Å; V232-I263 HydrophobicContact CG2-CD1 3.88Å; L249-I263 HydrophobicContact CD1-CG2 4.25Å; F251-I263 HydrophobicContact CE1-CB 4.13Å; F251-I263 HydrophobicContact CE1-CD1 3.73Å; F251-I263 HydrophobicContact CE1-CG2 3.93Å; F251-I263 HydrophobicContact CZ-CB 4.05Å; F251-I263 HydrophobicContact CZ-CD1 4.49Å; F251-I263 HydrophobicContact CZ-CG2 3.78Å; C259-I263 WeakPolarHBondContact O-CG1 3.28Å; C259-I263 PolarHBondContact O-N 3.02Å; I263-R265 VanDerWaalsContact C-N 3.31Å; I263-R265 PolarHBondContact O-N 3.3Å; I263-C266 PolarHBondContact O-N 3.44Å; I263-L267 HydrophobicContact CG2-CD1 3.79Å; I263-L267 HydrophobicContact CG2-CG 4.42Å; I263-L267 WeakPolarHBondContact O-CB 3.4Å; I263-L267 WeakPolarHBondContact O-CG 3.5Å; I263-L267 PolarHBondContact O-N 2.98Å
264	R	98.8	Very high	98.2	Very high	132 Å²	132	52 Å²	52	50%	0.498	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-37.1	177.4	-77.1	-176.6	-174.8	109.7	1.3	113.1	L249 F251 C260 A261 L262 L267 A268	L249-R264 HydrophobicContact CD1-CG 3.82Å; F251-R264 HydrophobicContact CE2-CG 4.18Å; F251-R264 HydrophobicContact CZ-CG 4.38Å; C260-R264 WeakPolarHBondContact O-CB 3.25Å; C260-R264 VanDerWaalsContact O-CG 3.27Å; C260-R264 WeakPolarHBondContact O-CG 3.49Å; C260-R264 PolarHBondContact O-N 3.38Å; A261-R264 PolarHBondContact O-N 3.42Å; L262-R264 VanDerWaalsContact C-N 3.34Å; L262-R264 PolarHBondContact O-N 2.91Å; R264-L267 CarbonylContact O-C 3.6Å; R264-A268 PolarHBondContact O-N 3.35Å
265	R	98.7	Very high	98.4	Very high	110 Å²	110	47 Å²	47	42%	0.415	26%	0.263	S	S	.	.	H	α-helix	trans	-69.3	-42	176.6	-68.9	-168.9	-52.8	166.7	14.8	111.6	A261 L262 I263 L267 A268 P275 D283	A261-R265 WeakPolarHBondContact O-CG 3.46Å; A261-R265 PolarHBondContact O-N 3.48Å; L262-R265 PolarHBondContact O-N 3.49Å; L262-R265 VanDerWaalsContact O-N 3.1Å; I263-R265 VanDerWaalsContact C-N 3.31Å; I263-R265 PolarHBondContact O-N 3.3Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.24Å; R265-A268 WeakPolarHBondContact O-CB 3.36Å; R265-A268 PolarHBondContact O-N 3.07Å; R265-P275 HydrophobicContact CB-CG 4.46Å; R265-P275 WeakPolarHBondContact O-CD 3.24Å; R265-D283 IonicContact CZ-OD2 3.63Å; R265-D283 IonicContact NE-OD2 3.44Å; R265-D283 IonicContact NH2-OD2 2.8Å; R265-D283 PolarHBondContact NH2-OD2 3.09Å
266	C	98.9	Very high	98.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-39.2	174.6	-67.8	0	0	0	0	112.2	V221 L262 I263 A268 R274	V221-C266 HydrophobicContact CG1-CB 4.07Å; L262-C266 PolarHBondContact O-N 2.81Å; L262-C266 PolarHBondContact O-SG 3.22Å; I263-C266 PolarHBondContact O-N 3.44Å; C266-A268 VanDerWaalsContact C-N 3.33Å; C266-A268 PolarHBondContact O-N 2.95Å; C266-R274 VanDerWaalsContact O-CD 3.29Å; C266-R274 WeakPolarHBondContact O-CD 3.29Å; C266-R274 WeakPolarHBondContact O-CG 3.43Å
267	L	98.9	Very high	98.5	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	25.8	-179.1	-60.5	-179.9	0	0	0	113.6	W222 I226 P237 F238 L249 I263 R264 R265	W222-L267 HydrophobicContact CD2-CD2 3.69Å; W222-L267 HydrophobicContact CE3-CB 4.37Å; W222-L267 HydrophobicContact CE3-CD2 3.9Å; W222-L267 HydrophobicContact CG-CD2 4.09Å; W222-L267 HydrophobicContact CH2-CB 4.49Å; W222-L267 HydrophobicContact CH2-CD2 4.4Å; W222-L267 HydrophobicContact CZ2-CD2 4.2Å; W222-L267 HydrophobicContact CZ3-CB 4.15Å; W222-L267 HydrophobicContact CZ3-CD2 4.27Å; W222-L267 VanDerWaalsContact CZ3-O 3.24Å; W222-L267 WeakPolarHBondContact CZ3-O 3.46Å; W222-L267 VanDerWaalsContact O-CD2 3.23Å; W222-L267 WeakPolarHBondContact O-CD2 3.27Å; I226-L267 HydrophobicContact CD1-CD1 4.03Å; I226-L267 HydrophobicContact CD1-CD2 3.56Å; I226-L267 HydrophobicContact CD1-CG 4.48Å; I226-L267 HydrophobicContact CG1-CD2 3.87Å; P237-L267 HydrophobicContact CG-CD1 4.27Å; F238-L267 HydrophobicContact CE2-CD1 4.18Å; F238-L267 HydrophobicContact CZ-CD1 4.34Å; L249-L267 HydrophobicContact CD1-CB 4.12Å; L249-L267 HydrophobicContact CD1-CD1 3.99Å; L249-L267 HydrophobicContact CD2-CD1 3.69Å; L249-L267 HydrophobicContact CG-CD1 4.41Å; I263-L267 HydrophobicContact CG2-CD1 3.79Å; I263-L267 HydrophobicContact CG2-CG 4.42Å; I263-L267 WeakPolarHBondContact O-CB 3.4Å; I263-L267 WeakPolarHBondContact O-CG 3.5Å; I263-L267 PolarHBondContact O-N 2.98Å; R264-L267 CarbonylContact O-C 3.6Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.24Å
268	A	98.7	Very high	98.5	Very high	16 Å²	16	48.4 Å²	48.4	13%	0.132	26%	0.26	C	S	.	.			trans	-64.6	130.9	173.3	0	0	0	0	0	110.4	R264 R265 C266 K270 R274	R264-A268 PolarHBondContact O-N 3.35Å; R265-A268 WeakPolarHBondContact O-CB 3.36Å; R265-A268 PolarHBondContact O-N 3.07Å; C266-A268 VanDerWaalsContact C-N 3.33Å; C266-A268 PolarHBondContact O-N 2.95Å; A268-K270 PolarHBondContact O-N 2.64Å; A268-R274 HydrophobicContact CB-CG 4.13Å; A268-R274 PolarHBondContact O-NE 3.25Å; A268-R274 PolarHBondContact O-NH2 2.72Å
269	P	97.9	Very high	98.6	Very high	71 Å²	71	49.4 Å²	49.4	46%	0.461	26%	0.262	S	S	.	.	S	Bend	trans	-58.6	-36.1	179.8	-28.3	34.5	0	0	0	113.3	A247 P271 R274	A247-P269 HydrophobicContact CB-CG 3.8Å; P269-P271 WeakPolarHBondContact O-CD 3.33Å; P269-R274 PolarHBondContact O-NH2 2.91Å
270	K	98.1	Very high	98.6	Very high	133 Å²	133	49.4 Å²	49.4	58%	0.578	26%	0.262	S	S	*	.	S	Bend	trans	-80.8	120.6	176.6	-169	-178.2	-174.3	-169.9	0	109.6	A268 S272 S273	A268-K270 PolarHBondContact O-N 2.64Å; K270-S272 VanDerWaalsContact C-N 3.27Å; K270-S272 WeakPolarHBondContact CD-OG 3.22Å; K270-S272 WeakPolarHBondContact CE-OG 3.48Å; K270-S272 PolarHBondContact O-N 3.46Å; K270-S273 WeakPolarHBondContact O-CB 3.41Å; K270-S273 PolarHBondContact O-N 3.41Å
271	P	98.4	Very high	98.5	Very high	43 Å²	43	51.1 Å²	51.1	28%	0.279	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-57.1	-37.9	-177.8	-28.8	37.4	0	0	0	113.9	E207 P218 P269 S273 R274	E207-P271 HydrophobicContact CB-CG 4.37Å; E207-P271 VanDerWaalsContact CD-CG 3.48Å; E207-P271 HydrophobicContact CG-CG 4.11Å; E207-P271 WeakPolarHBondContact OE1-CG 3.49Å; P218-P271 HydrophobicContact CB-CB 3.67Å; P218-P271 HydrophobicContact CG-CB 4.14Å; P269-P271 WeakPolarHBondContact O-CD 3.33Å; P271-S273 PolarHBondContact O-N 3.2Å; P271-R274 WeakPolarHBondContact O-CB 3.47Å; P271-R274 PolarHBondContact O-N 3.48Å
272	S	98.1	Very high	98.5	Very high	90 Å²	90	54.3 Å²	54.3	63%	0.629	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-72.6	-6.4	179.9	74	0	0	0	0	114.5	K270	K270-S272 VanDerWaalsContact C-N 3.27Å; K270-S272 WeakPolarHBondContact CD-OG 3.22Å; K270-S272 WeakPolarHBondContact CE-OG 3.48Å; K270-S272 PolarHBondContact O-N 3.46Å
273	S	98.3	Very high	98.4	Very high	69 Å²	69	54.6 Å²	54.6	48%	0.483	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-96.1	-6.2	177.5	-66.7	0	0	0	0	112.2	K270 P271	K270-S273 WeakPolarHBondContact O-CB 3.41Å; K270-S273 PolarHBondContact O-N 3.41Å; P271-S273 PolarHBondContact O-N 3.2Å
274	R	98.8	Very high	98.3	Very high	20 Å²	20	58.7 Å²	58.7	8%	0.075	31%	0.309	C	S	.	.	S	Bend	trans	-80.3	142	177.8	-59.7	179.9	-165.3	143.6	10.3	109.9	E207 P218 V221 C266 A268 P269 P271	E207-R274 IonicContact OE1-CZ 3.62Å; E207-R274 IonicContact OE1-NH1 2.68Å; E207-R274 PolarHBondContact OE1-NH1 3.44Å; E207-R274 IonicContact OE1-NH2 2.88Å; E207-R274 PolarHBondContact OE1-NH2 2.76Å; E207-R274 IonicContact OE2-CZ 3.46Å; E207-R274 IonicContact OE2-NH1 2.85Å; E207-R274 IonicContact OE2-NH2 3.43Å; E207-R274 PolarHBondContact OE2-NH2 3.44Å; P218-R274 VanDerWaalsContact C-NH1 3.3Å; P218-R274 VanDerWaalsContact O-CD 3.31Å; P218-R274 WeakPolarHBondContact O-CD 3.39Å; P218-R274 PolarHBondContact O-NH1 3.35Å; V221-R274 HydrophobicContact CB-CB 4.33Å; V221-R274 HydrophobicContact CG1-CB 3.77Å; V221-R274 HydrophobicContact CG1-CG 4.48Å; C266-R274 VanDerWaalsContact O-CD 3.29Å; C266-R274 WeakPolarHBondContact O-CD 3.29Å; C266-R274 WeakPolarHBondContact O-CG 3.43Å; A268-R274 HydrophobicContact CB-CG 4.13Å; A268-R274 PolarHBondContact O-NE 3.25Å; A268-R274 PolarHBondContact O-NH2 2.72Å; P269-R274 PolarHBondContact O-NH2 2.91Å; P271-R274 WeakPolarHBondContact O-CB 3.47Å; P271-R274 PolarHBondContact O-N 3.48Å
275	P	98.7	Very high	98.2	Very high	12 Å²	12	52.4 Å²	52.4	8%	0.078	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.3	156.6	178.7	29.8	-35.4	0	0	0	111.4	V221 R265 E279 I280	V221-P275 HydrophobicContact CG1-CG 4.14Å; V221-P275 VanDerWaalsContact CG2-O 3.23Å; V221-P275 WeakPolarHBondContact CG2-O 3.43Å; R265-P275 HydrophobicContact CB-CG 4.46Å; R265-P275 WeakPolarHBondContact O-CD 3.24Å; P275-E279 HydrophobicContact CB-CB 3.86Å; P275-I280 HydrophobicContact CB-CG1 4.1Å; P275-I280 HydrophobicContact CG-CD1 4.18Å; P275-I280 HydrophobicContact CG-CG1 3.65Å
276	S	98.6	Very high	98.2	Very high	39 Å²	39	48.4 Å²	48.4	27%	0.273	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-68.4	163.8	163	65.3	0	0	0	0	111.4	E278 E279 I280	S276-E278 PolarHBondContact O-N 3.27Å; S276-E279 WeakPolarHBondContact CB-OE2 3.32Å; S276-E279 PolarHBondContact N-OE2 3.24Å; S276-E279 PolarHBondContact O-N 3.22Å; S276-E279 WeakPolarHBondContact OG-CB 3.46Å; S276-E279 VanDerWaalsContact OG-CG 3.26Å; S276-E279 WeakPolarHBondContact OG-CG 3.43Å; S276-E279 PolarHBondContact OG-N 2.83Å; S276-E279 PolarHBondContact OG-OE2 3.45Å; S276-I280 WeakPolarHBondContact O-CG1 3.47Å; S276-I280 PolarHBondContact O-N 3.2Å
277	L	98.5	Very high	98	Very high	11 Å²	11	54.2 Å²	54.2	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-32.4	176	-59.5	174	0	0	0	112.4	V148 I151 Q152 L217 V221 L224 I280 L281	V148-L277 HydrophobicContact CG1-CB 4.23Å; V148-L277 HydrophobicContact CG1-CD2 4.36Å; I151-L277 HydrophobicContact CG2-CD1 3.81Å; I151-L277 HydrophobicContact CG2-CD2 4.28Å; Q152-L277 HydrophobicContact CB-CD1 4.39Å; Q152-L277 HydrophobicContact CG-CB 3.52Å; Q152-L277 HydrophobicContact CG-CD1 3.61Å; Q152-L277 HydrophobicContact CG-CG 4.19Å; L217-L277 HydrophobicContact CD1-CD1 4.09Å; L217-L277 HydrophobicContact CD1-CD2 4.46Å; L217-L277 HydrophobicContact CD1-CG 3.84Å; V221-L277 HydrophobicContact CG2-CD2 4.22Å; L224-L277 HydrophobicContact CD1-CD2 3.6Å; L277-I280 HydrophobicContact CD2-CD1 4.42Å; L277-L281 PolarHBondContact O-N 2.93Å
278	E	98.1	Very high	97.5	Very high	130 Å²	130	56.5 Å²	56.5	61%	0.607	31%	0.313	S	S	*	.	H	α-helix	trans	-68.6	-45.3	175.4	-176.7	175.8	-174	0	0	111.3	S276 I280 L281 L282	S276-E278 PolarHBondContact O-N 3.27Å; E278-I280 VanDerWaalsContact C-N 3.26Å; E278-I280 PolarHBondContact O-N 2.98Å; E278-L281 PolarHBondContact O-N 2.83Å; E278-L281 VanDerWaalsContact O-N 3.14Å; E278-L282 HydrophobicContact CG-CD1 3.99Å; E278-L282 WeakPolarHBondContact O-CG 3.4Å; E278-L282 PolarHBondContact O-N 2.93Å
279	E	98.5	Very high	96.5	Very high	106 Å²	106	60.7 Å²	60.7	50%	0.495	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-32	176	-73	165.8	134.2	0	0	112.6	P275 S276 L282 D283	P275-E279 HydrophobicContact CB-CB 3.86Å; S276-E279 WeakPolarHBondContact CB-OE2 3.32Å; S276-E279 PolarHBondContact N-OE2 3.24Å; S276-E279 PolarHBondContact O-N 3.22Å; S276-E279 WeakPolarHBondContact OG-CB 3.46Å; S276-E279 VanDerWaalsContact OG-CG 3.26Å; S276-E279 WeakPolarHBondContact OG-CG 3.43Å; S276-E279 PolarHBondContact OG-N 2.83Å; S276-E279 PolarHBondContact OG-OE2 3.45Å; E279-L282 PolarHBondContact O-N 3.46Å; E279-D283 PolarHBondContact O-N 3.34Å; E279-D283 VanDerWaalsContact O-N 3.11Å
280	I	98.8	Very high	95	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-49.8	171.9	-69.3	170.3	0	0	0	110.3	F144 V148 V221 L224 L262 P275 S276 L277 E278 L282 D283 M286	F144-I280 HydrophobicContact CE1-CG2 3.53Å; F144-I280 HydrophobicContact CZ-CG2 4.07Å; V148-I280 HydrophobicContact CG1-CG2 4.33Å; V148-I280 HydrophobicContact CG2-CG2 3.97Å; V221-I280 HydrophobicContact CG1-CD1 4.04Å; V221-I280 HydrophobicContact CG2-CD1 4.22Å; L224-I280 HydrophobicContact CD1-CD1 4.39Å; L262-I280 HydrophobicContact CD1-CG1 4.33Å; L262-I280 HydrophobicContact CD1-CG2 4.42Å; P275-I280 HydrophobicContact CB-CG1 4.1Å; P275-I280 HydrophobicContact CG-CD1 4.18Å; P275-I280 HydrophobicContact CG-CG1 3.65Å; S276-I280 WeakPolarHBondContact O-CG1 3.47Å; S276-I280 PolarHBondContact O-N 3.2Å; L277-I280 HydrophobicContact CD2-CD1 4.42Å; E278-I280 VanDerWaalsContact C-N 3.26Å; E278-I280 PolarHBondContact O-N 2.98Å; I280-L282 PolarHBondContact O-N 3.21Å; I280-D283 WeakPolarHBondContact O-CB 3.38Å; I280-D283 PolarHBondContact O-N 3.14Å; I280-D283 VanDerWaalsContact O-N 3.12Å; I280-M286 WeakPolarHBondContact O-CG 3.42Å
281	L	97.6	Very high	93.2	Very high	45 Å²	45	63.9 Å²	63.9	24%	0.236	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-30.7	-179.6	-70.2	177.1	0	0	0	112.6	V148 L277 E278 D283 M286 Q287	V148-L281 HydrophobicContact CB-CD2 3.95Å; V148-L281 HydrophobicContact CB-CG 4.43Å; V148-L281 HydrophobicContact CG1-CD1 4.18Å; V148-L281 HydrophobicContact CG1-CD2 3.77Å; V148-L281 HydrophobicContact CG1-CG 3.69Å; L277-L281 PolarHBondContact O-N 2.93Å; E278-L281 PolarHBondContact O-N 2.83Å; E278-L281 VanDerWaalsContact O-N 3.14Å; L281-D283 VanDerWaalsContact C-N 3.33Å; L281-M286 HydrophobicContact CD2-CE 4.19Å; L281-M286 WeakPolarHBondContact O-CB 3.1Å; L281-Q287 PolarHBondContact O-NE2 2.72Å
282	L	97.5	Very high	90.4	Very high	111 Å²	111	69.7 Å²	69.7	58%	0.581	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.4	177.1	-64.5	175.3	0	0	0	113.8	E278 E279 I280	E278-L282 HydrophobicContact CG-CD1 3.99Å; E278-L282 WeakPolarHBondContact O-CG 3.4Å; E278-L282 PolarHBondContact O-N 2.93Å; E279-L282 PolarHBondContact O-N 3.46Å; I280-L282 PolarHBondContact O-N 3.21Å
283	D	98.2	Very high	87.6	Confident	6 Å²	6	69 Å²	69	3%	0.032	39%	0.393	C	S	.	.	S	Bend	trans	-59.2	141.2	-179.9	-176.3	-81.2	0	0	0	111.4	L262 R265 E279 I280 L281 W285 M286 Q287	L262-D283 HydrophobicContact CD1-CB 4.07Å; L262-D283 HydrophobicContact CD2-CB 4.18Å; R265-D283 IonicContact CZ-OD2 3.63Å; R265-D283 IonicContact NE-OD2 3.44Å; R265-D283 IonicContact NH2-OD2 2.8Å; R265-D283 PolarHBondContact NH2-OD2 3.09Å; E279-D283 PolarHBondContact O-N 3.34Å; E279-D283 VanDerWaalsContact O-N 3.11Å; I280-D283 WeakPolarHBondContact O-CB 3.38Å; I280-D283 PolarHBondContact O-N 3.14Å; I280-D283 VanDerWaalsContact O-N 3.12Å; L281-D283 VanDerWaalsContact C-N 3.33Å; D283-W285 PolarHBondContact O-N 2.94Å; D283-W285 VanDerWaalsContact O-N 3.17Å; D283-W285 WeakPolarHBondContact OD1-CA 3.24Å; D283-W285 WeakPolarHBondContact OD1-CB 3.37Å; D283-W285 PolarHBondContact OD1-N 2.8Å; D283-M286 HydrophobicContact CB-CB 4.4Å; D283-M286 HydrophobicContact CB-CG 4.25Å; D283-M286 WeakPolarHBondContact O-CA 3.37Å; D283-M286 WeakPolarHBondContact O-CB 3.4Å; D283-M286 PolarHBondContact O-N 3.41Å; D283-Q287 WeakPolarHBondContact O-CG 3.31Å; D283-Q287 PolarHBondContact O-N 2.68Å
284	P	96	Very high	84.7	Confident	85 Å²	85	71.6 Å²	71.6	55%	0.552	41%	0.408	S	S	*	.	H	α-helix	trans	-50.8	-40	177.6	-28.8	35.9	0	0	0	114.1	M286 Q287 T288	P284-M286 VanDerWaalsContact C-N 3.31Å; P284-M286 PolarHBondContact O-N 3.47Å; P284-Q287 PolarHBondContact O-N 3.2Å; P284-T288 PolarHBondContact O-N 2.91Å; P284-T288 VanDerWaalsContact O-N 3.12Å; P284-T288 PolarHBondContact O-OG1 3.25Å
285	W	97.9	Very high	81.9	Confident	1 Å²	1	78.1 Å²	78.1	0%	0.004	44%	0.444	C	S	.	.	H	α-helix	trans	-60.9	-41.7	176.3	-177	73.9	0	0	0	111.6	E137 R141 F144 L228 D258 C259 L262 D283 Q287 T288	E137-W285 HydrophobicContact CB-CZ2 3.94Å; E137-W285 HydrophobicContact CG-CZ2 4.22Å; E137-W285 PolarHBondContact OE2-NE1 2.82Å; R141-W285 VanDerWaalsContact CA-CH2 3.44Å; R141-W285 HydrophobicContact CB-CH2 3.63Å; R141-W285 HydrophobicContact CB-CZ2 3.96Å; R141-W285 HydrophobicContact CB-CZ3 3.99Å; R141-W285 WeakPolarHBondContact CD-O 3.45Å; R141-W285 HydrophobicContact CG-CE3 4.33Å; R141-W285 HydrophobicContact CG-CH2 4.21Å; R141-W285 HydrophobicContact CG-CZ3 4.07Å; R141-W285 PolarHBondContact NE-O 3.31Å; F144-W285 HydrophobicContact CD1-CZ3 4.21Å; L228-W285 HydrophobicContact CD1-CH2 3.47Å; L228-W285 VanDerWaalsContact CD1-CH2 3.47Å; L228-W285 HydrophobicContact CD1-CZ2 4.34Å; L228-W285 HydrophobicContact CD1-CZ3 3.75Å; L228-W285 HydrophobicContact CD2-CE3 4.48Å; L228-W285 HydrophobicContact CD2-CH2 4.49Å; L228-W285 HydrophobicContact CD2-CZ3 4.05Å; D258-W285 HydrophobicContact CB-CB 4.03Å; C259-W285 HydrophobicContact CB-CD2 4.26Å; C259-W285 HydrophobicContact CB-CG 4.12Å; C259-W285 HydrophobicContact CB-CZ2 4.43Å; L262-W285 HydrophobicContact CD2-CE3 3.67Å; L262-W285 HydrophobicContact CD2-CZ3 4.3Å; D283-W285 PolarHBondContact O-N 2.94Å; D283-W285 VanDerWaalsContact O-N 3.17Å; D283-W285 WeakPolarHBondContact OD1-CA 3.24Å; D283-W285 WeakPolarHBondContact OD1-CB 3.37Å; D283-W285 PolarHBondContact OD1-N 2.8Å; W285-Q287 VanDerWaalsContact C-N 3.31Å; W285-Q287 PolarHBondContact O-N 3.25Å; W285-T288 WeakPolarHBondContact O-CB 3.44Å; W285-T288 PolarHBondContact O-N 3.35Å; W285-T288 PolarHBondContact O-OG1 2.95Å
286	M	97.6	Very high	79	Confident	25 Å²	25	84.9 Å²	84.9	12%	0.123	48%	0.479	C	S	.	.	H	α-helix	trans	-69	-28.2	177.4	-70.9	-59.4	-72.9	0	0	113.2	R141 F144 L262 I280 L281 D283 P284	R141-M286 HydrophobicContact CG-CE 4.32Å; R141-M286 HydrophobicContact CG-SD 3.73Å; F144-M286 HydrophobicContact CD1-CE 4.25Å; F144-M286 HydrophobicContact CD1-SD 3.84Å; L262-M286 HydrophobicContact CD2-CG 4.17Å; I280-M286 WeakPolarHBondContact O-CG 3.42Å; L281-M286 HydrophobicContact CD2-CE 4.19Å; L281-M286 WeakPolarHBondContact O-CB 3.1Å; D283-M286 HydrophobicContact CB-CB 4.4Å; D283-M286 HydrophobicContact CB-CG 4.25Å; D283-M286 WeakPolarHBondContact O-CA 3.37Å; D283-M286 WeakPolarHBondContact O-CB 3.4Å; D283-M286 PolarHBondContact O-N 3.41Å; P284-M286 VanDerWaalsContact C-N 3.31Å; P284-M286 PolarHBondContact O-N 3.47Å
287	Q	94.3	Very high	76.2	Confident	122 Å²	122	87.3 Å²	87.3	57%	0.57	49%	0.494	S	S	*	.	H	α-helix	trans	-88.9	-4.7	-179.9	-61.1	-58.5	-50.6	0	0	113.6	L281 D283 P284 W285	L281-Q287 PolarHBondContact O-NE2 2.72Å; D283-Q287 WeakPolarHBondContact O-CG 3.31Å; D283-Q287 PolarHBondContact O-N 2.68Å; P284-Q287 PolarHBondContact O-N 3.2Å; W285-Q287 VanDerWaalsContact C-N 3.31Å; W285-Q287 PolarHBondContact O-N 3.25Å
288	T	89.6	Confident	73.4	Confident	52 Å²	52	92.4 Å²	92.4	32%	0.319	53%	0.528	S	S	.	.	S	Bend	trans	-58.4	126.5	175.3	-60.5	0	0	0	0	109.6	R141 P284 W285	R141-T288 VanDerWaalsContact CZ-CB 3.49Å; R141-T288 PolarHBondContact NH1-O 3.47Å; P284-T288 PolarHBondContact O-N 2.91Å; P284-T288 VanDerWaalsContact O-N 3.12Å; P284-T288 PolarHBondContact O-OG1 3.25Å; W285-T288 WeakPolarHBondContact O-CB 3.44Å; W285-T288 PolarHBondContact O-N 3.35Å; W285-T288 PolarHBondContact O-OG1 2.95Å
289	P	76.3	Confident	70.7	Confident	104 Å²	104	96.7 Å²	96.7	68%	0.675	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-51.8	145.1	177.4	-25.1	33	0	0	0	111.2	R141 E291	R141-P289 PolarHBondContact NH1-O 2.88Å; P289-E291 PolarHBondContact O-N 3.47Å; P289-E291 VanDerWaalsContact O-N 3.09Å
290	A	67.4	Low	68.2	Low	89 Å²	89	95.7 Å²	95.7	74%	0.736	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-58	119.8	166.2	0	0	0	0	0	107	D292	A290-D292 PolarHBondContact O-N 3.32Å
291	E	59.6	Low	65.6	Low	181 Å²	181	98.5 Å²	98.5	85%	0.846	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.5	129.9	168.8	-69.1	-164.5	159.3	0	0	107.1	P289 A293	P289-E291 PolarHBondContact O-N 3.47Å; P289-E291 VanDerWaalsContact O-N 3.09Å; E291-A293 PolarHBondContact O-N 2.92Å
292	D	40.4	Very low	63	Low	165 Å²	165	102.5 Å²	102.5	88%	0.882	62%	0.62	S	S	*	*			trans	-58.5	89.7	170	-78.1	-43.3	0	0	0	107.8	A290	A290-D292 PolarHBondContact O-N 3.32Å
293	A	39.4	Very low	60.4	Low	76 Å²	76	101.4 Å²	101.4	63%	0.628	63%	0.627	S	S	*	*			trans	-54.4	133.2	165.8	0	0	0	0	0	106.8	E291 L295	E291-A293 PolarHBondContact O-N 2.92Å; A293-L295 PolarHBondContact O-N 3.19Å
294	P	36.8	Very low	57.8	Low	124 Å²	124	107 Å²	107	81%	0.805	66%	0.664	S	S	*	*			trans	-55.4	117.2	178.9	18.9	-28.8	0	0	0	109	N296	P294-N296 PolarHBondContact O-N 3.23Å
295	L	39.3	Very low	55	Low	156 Å²	156	109.2 Å²	109.2	82%	0.817	67%	0.67	S	S	*	*			trans	-57.4	84.3	173.9	-77.2	159.5	0	0	0	109.8	A293 P297	A293-L295 PolarHBondContact O-N 3.19Å; L295-P297 VanDerWaalsContact O-CD 3.25Å; L295-P297 WeakPolarHBondContact O-CD 3.23Å
296	N	38	Very low	52.2	Low	155 Å²	155	112 Å²	112	83%	0.829	69%	0.693	S	S	*	*			trans	-102.8	83.2	146.6	-85.1	-23.8	0	0	0	106.9	P294	P294-N296 PolarHBondContact O-N 3.23Å
297	P	40.2	Very low	49.5	Very low	90 Å²	90	118 Å²	118	58%	0.584	72%	0.715	S	S	*	*			trans	-59.1	135.5	171.3	24.8	-32.2	0	0	0	108.4	L295 K299	L295-P297 VanDerWaalsContact O-CD 3.25Å; L295-P297 WeakPolarHBondContact O-CD 3.23Å; P297-K299 PolarHBondContact O-N 2.73Å; P297-K299 VanDerWaalsContact O-N 3.09Å
298	P	40.3	Very low	46.6	Very low	117 Å²	117	117.3 Å²	117.3	76%	0.76	72%	0.723	S	S	*	*			trans	-54.9	122.5	158.6	23.3	-29.5	0	0	0	106.6	G300	P298-G300 PolarHBondContact O-N 3.05Å
299	K	41.7	Very low	44	Very low	220 Å²	220	120.7 Å²	120.7	96%	0.957	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	108.5	178.1	-71.7	-179.4	175.9	179	0	108.8	P297	P297-K299 PolarHBondContact O-N 2.73Å; P297-K299 VanDerWaalsContact O-N 3.09Å
300	G	45	Very low	42	Very low	86 Å²	86	120.4 Å²	120.4	89%	0.887	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.3	12.2	162.6	0	0	0	0	0	119.4	P298	P298-G300 PolarHBondContact O-N 3.05Å
301	G	45.2	Very low	40.4	Very low	58 Å²	58	125.4 Å²	125.4	60%	0.598	76%	0.756	S	S	*	*			trans	-105.1	141.5	172.2	0	0	0	0	0	113.1
302	P	41.8	Very low	39.5	Very low	130 Å²	130	122.7 Å²	122.7	84%	0.844	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-65.9	142.1	171	28.9	-31.8	0	0	0	110
303	A	43.8	Very low	39.4	Very low	88 Å²	88	120.4 Å²	120.4	73%	0.727	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-60.9	142.3	175.5	0	0	0	0	0	110.8	L305	A303-L305 PolarHBondContact O-N 3.47Å
304	P	42.4	Very low	39.4	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-62.8	136.9	174.8	23.7	-30	0	0	0	110.5
305	L	38.4	Very low	39.6	Very low	132 Å²	132	122.8 Å²	122.8	69%	0.691	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-70.8	142.6	178.1	-74.9	164.9	0	0	0	110.7	A303	A303-L305 PolarHBondContact O-N 3.47Å
306	A	39.3	Very low	39.6	Very low	59 Å²	59	120.8 Å²	120.8	49%	0.488	74%	0.744	S	S	.	*	P	Polyproline II helix	trans	-63.3	139.1	171.8	0	0	0	0	0	111.1	S308 L309	A306-S308 PolarHBondContact O-N 2.95Å; A306-S308 VanDerWaalsContact O-N 3.13Å; A306-L309 PolarHBondContact O-N 3.29Å; A306-L309 VanDerWaalsContact O-N 3.09Å
307	W	39.8	Very low	39.7	Very low	153 Å²	153	118.5 Å²	118.5	58%	0.58	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-56.4	-31.4	-173.6	-171.5	-105.4	0	0	0	114.5	P97 L309 L310	P97-W307 HydrophobicContact CB-CH2 4.37Å; P97-W307 HydrophobicContact CG-CH2 3.55Å; P97-W307 HydrophobicContact CG-CZ2 4.1Å; W307-L309 PolarHBondContact O-N 2.98Å; W307-L310 HydrophobicContact CE3-CD1 3.75Å; W307-L310 HydrophobicContact CZ3-CD1 3.91Å; W307-L310 PolarHBondContact O-N 2.74Å
308	S	34.1	Very low	39.7	Very low	107 Å²	107	120.5 Å²	120.5	75%	0.748	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-65.9	-1	178.5	60.2	0	0	0	0	114.7	A306	A306-S308 PolarHBondContact O-N 2.95Å; A306-S308 VanDerWaalsContact O-N 3.13Å
309	L	34.3	Very low	39.6	Very low	123 Å²	123	120.8 Å²	120.8	64%	0.644	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-123.3	7.9	-174.1	-62.7	173.4	0	0	0	113.9	A306 W307	A306-L309 PolarHBondContact O-N 3.29Å; A306-L309 VanDerWaalsContact O-N 3.09Å; W307-L309 PolarHBondContact O-N 2.98Å
310	L	34.8	Very low	39.4	Very low	97 Å²	97	112.5 Å²	112.5	51%	0.508	73%	0.731	S	S	.	*			trans	-86.6	128.9	172	-67.4	172.1	0	0	0	109.7	W307	W307-L310 HydrophobicContact CE3-CD1 3.75Å; W307-L310 HydrophobicContact CZ3-CD1 3.91Å; W307-L310 PolarHBondContact O-N 2.74Å
311	P	34.3	Very low	38.9	Very low	195 Å²	195	114.9 Å²	114.9	100%	1.266	72%	0.717	S	S	*	*			trans	-71	0	177.9	29.6	-33.8	0	0	0	113.3

Retrieved 311 of 311 residues in 88.4 ms (Link to these results)

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