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Ethanolamine-phosphate cytidylyltransferase

Ethanolamine-phosphate cytidylyltransferase that catalyzes the second step in the synthesis of phosphatidylethanolamine (PE) from ethanolamine via the CDP-ethanolamine pathway. Phosphatidylethanolamine is a dominant inner-leaflet phospholipid in cell membranes, where it plays a role in membrane function by structurally stabilizing membrane-anchored proteins, and participates in important cellular processes such as cell division, cell fusion, blood coagulation, and apoptosis.

AlphaFold DB , UniProt , Accession A0A096NTK3, Species PAPAN (Papio anubis, Olive baboon), Gene PCYT2, Length 389 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	33.7	Very low	244 Å²	244	143.1 Å²	143.1	100%	1.202	87%	0.874	S	S	*	*				0	90.8	0	-78.2	179.6	-179.2	0	0	108.2
2	I	30.3	Very low	34.5	Very low	168 Å²	168	139.3 Å²	139.3	86%	0.862	87%	0.869	S	S	*	*			trans	-87.2	114.3	-179	-61.8	173.8	0	0	0	106.4	N4	I2-N4 PolarHBondContact O-N 3.39Å
3	R	27	Very low	36.3	Very low	242 Å²	242	136.3 Å²	136.3	91%	0.913	84%	0.838	S	S	*	*			trans	-75.4	111.9	177.1	-85.7	-178.3	169.7	-179.5	-2.7	109.1
4	N	35.8	Very low	37.3	Very low	162 Å²	162	139.2 Å²	139.2	87%	0.866	84%	0.837	S	S	*	*			trans	-59.7	134.3	156.2	-84.1	-18.6	0	0	0	109.8	I2	I2-N4 PolarHBondContact O-N 3.39Å
5	G	31.1	Very low	38	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	83%	0.826	S	S	*	*			trans	-157.3	85.5	-177.2	0	0	0	0	0	114
6	R	31.9	Very low	39.1	Very low	250 Å²	250	129.5 Å²	129.5	94%	0.943	79%	0.787	S	S	*	*			trans	74.6	120.6	143.4	-60.6	-178.4	179.5	-172.9	-1.6	119
7	G	39.6	Very low	39.6	Very low	84 Å²	84	130.2 Å²	130.2	87%	0.866	80%	0.795	S	S	*	*			trans	-58.9	145.9	159.6	0	0	0	0	0	111.9
8	A	34.4	Very low	40.9	Very low	100 Å²	100	127.7 Å²	127.7	83%	0.826	80%	0.799	S	S	*	*			trans	-126.2	128.9	167.3	0	0	0	0	0	107.9
9	A	36.3	Very low	42.3	Very low	99 Å²	99	124.3 Å²	124.3	82%	0.818	79%	0.791	S	S	*	*			trans	-58.4	161.5	175.1	0	0	0	0	0	112.3	G11	A9-G11 PolarHBondContact O-N 3.38Å
10	G	37.2	Very low	44.3	Very low	84 Å²	84	125.9 Å²	125.9	87%	0.866	78%	0.781	S	S	*	*			trans	-26.2	109.7	-178.2	0	0	0	0	0	115.5	A12	G10-A12 PolarHBondContact O-N 3.41Å
11	G	33.9	Very low	46.6	Very low	75 Å²	75	125.2 Å²	125.2	77%	0.773	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-72.2	118.3	167.8	0	0	0	0	0	109.6	A9 E13	A9-G11 PolarHBondContact O-N 3.38Å; G11-E13 PolarHBondContact O-N 3.33Å
12	A	43.1	Very low	49.5	Very low	98 Å²	98	115 Å²	115	81%	0.81	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-56.6	128.5	170.8	0	0	0	0	0	110.2	G10 Q14	G10-A12 PolarHBondContact O-N 3.41Å; A12-Q14 PolarHBondContact O-N 3.21Å
13	E	58.7	Low	52.8	Low	100 Å²	100	107.8 Å²	107.8	47%	0.467	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-56.9	127.4	177.5	-75.6	178.7	151.5	0	0	110.3	G11 R21 N106	G11-E13 PolarHBondContact O-N 3.33Å; E13-R21 IonicContact OE1-NH1 3.79Å; E13-R21 VanDerWaalsContact OE2-CD 3.3Å; E13-R21 WeakPolarHBondContact OE2-CD 3.3Å; E13-R21 WeakPolarHBondContact OE2-CG 3.32Å; E13-N106 PolarHBondContact OE1-ND2 3.34Å
14	Q	50.3	Low	56.2	Low	177 Å²	177	98.8 Å²	98.8	83%	0.827	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-71.8	125.4	165.4	-70.1	-162.7	8.3	0	0	108.5	A12	A12-Q14 PolarHBondContact O-N 3.21Å
15	P	48.2	Very low	59.2	Low	103 Å²	103	91.1 Å²	91.1	67%	0.669	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-64.5	140.3	-179.2	24	-31	0	0	0	110.9
16	G	54.9	Low	62.4	Low	20 Å²	20	88 Å²	88	21%	0.206	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-68.2	171.6	174.1	0	0	0	0	0	112.4	G18 G19 R20	G16-G18 PolarHBondContact O-N 3.05Å; G16-G18 VanDerWaalsContact O-N 3.08Å; G16-G19 PolarHBondContact O-N 3.22Å; G16-R20 PolarHBondContact N-O 2.94Å
17	P	48.2	Very low	65.6	Low	141 Å²	141	76.1 Å²	76.1	92%	0.916	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	119.1	175.6	-18.7	29.5	0	0	0	110.1
18	G	62.3	Low	68.4	Low	85 Å²	85	72.5 Å²	72.5	88%	0.876	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	10	-179.2	0	0	0	0	0	116.3	G16 R20	G16-G18 PolarHBondContact O-N 3.05Å; G16-G18 VanDerWaalsContact O-N 3.08Å; G18-R20 VanDerWaalsContact C-N 3.28Å; G18-R20 PolarHBondContact O-N 3.42Å
19	G	67.4	Low	71.3	Confident	63 Å²	63	68.5 Å²	68.5	65%	0.649	46%	0.46	S	S	*	.	S	Bend	trans	77.7	8	172.8	0	0	0	0	0	115	G16	G16-G19 PolarHBondContact O-N 3.22Å
20	R	82.9	Confident	74.2	Confident	156 Å²	156	64.6 Å²	64.6	59%	0.589	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-83.5	142.2	172.4	-159.8	179.2	86.3	106.9	0.7	110.1	G16 G18 A22 D50	G16-R20 PolarHBondContact N-O 2.94Å; G18-R20 VanDerWaalsContact C-N 3.28Å; G18-R20 PolarHBondContact O-N 3.42Å; R20-A22 PolarHBondContact O-N 2.61Å; R20-D50 IonicContact NH2-OD2 3.2Å; R20-D50 PolarHBondContact NH2-OD2 2.78Å
21	R	91.5	Very high	77.1	Confident	112 Å²	112	61 Å²	61	42%	0.423	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-58.3	132	170	-169.2	175.8	75.8	83.7	3.1	109.6	E13 D108	E13-R21 IonicContact OE1-NH1 3.79Å; E13-R21 VanDerWaalsContact OE2-CD 3.3Å; E13-R21 WeakPolarHBondContact OE2-CD 3.3Å; E13-R21 WeakPolarHBondContact OE2-CG 3.32Å; R21-D108 IonicContact CZ-OD1 3.63Å; R21-D108 IonicContact NH1-OD1 3.94Å; R21-D108 IonicContact NH1-OD2 3.74Å; R21-D108 IonicContact NH2-OD1 2.61Å; R21-D108 PolarHBondContact NH2-OD1 2.69Å; R21-D108 IonicContact NH2-OD2 3.71Å
22	A	94.9	Very high	79.9	Confident	30 Å²	30	58.6 Å²	58.6	25%	0.248	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-66.8	131.5	177.9	0	0	0	0	0	110.4	R20 D50	R20-A22 PolarHBondContact O-N 2.61Å; A22-D50 HydrophobicContact CB-CB 4.18Å
23	V	98.3	Very high	82.3	Confident	16 Å²	16	54.3 Å²	54.3	10%	0.097	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-85.3	118.1	175.6	173.8	0	0	0	0	109.2	V25 D50 Y51 D108 F109	V23-V25 HydrophobicContact CG1-CG2 4.4Å; V23-D50 PolarHBondContact N-OD2 3.43Å; V23-D50 PolarHBondContact O-N 3.46Å; V23-Y51 PolarHBondContact O-N 3.27Å; V23-D108 WeakPolarHBondContact CA-OD2 3.46Å; V23-D108 HydrophobicContact CG1-CB 4.14Å; V23-F109 HydrophobicContact CG1-CE1 3.62Å; V23-F109 HydrophobicContact CG1-CZ 4.04Å
24	R	98.7	Very high	84.1	Confident	54 Å²	54	49.8 Å²	49.8	20%	0.204	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.8	-179.1	-66.7	173.5	61.9	83	-8.7	109.4	Y51 Y105 N106 C107 D108	R24-Y51 VanDerWaalsContact NH1-CD1 3.32Å; R24-Y105 PolarHBondContact NE-O 3.23Å; R24-Y105 PolarHBondContact NH2-O 3.08Å; R24-N106 VanDerWaalsContact CB-O 3.26Å; R24-N106 WeakPolarHBondContact CB-O 3.37Å; R24-N106 WeakPolarHBondContact CD-O 3.32Å; R24-N106 PolarHBondContact NE-O 2.99Å; R24-C107 CarbonylContact O-C 3.59Å; R24-C107 WeakPolarHBondContact O-CA 3.47Å; R24-D108 PolarHBondContact N-OD2 2.89Å; R24-D108 PolarHBondContact O-N 3.24Å
25	V	98.8	Very high	86.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.5	-172.7	-174.6	0	0	0	0	109.4	V23 A45 Y51 L52 I53 F109 V111	V23-V25 HydrophobicContact CG1-CG2 4.4Å; V25-A45 HydrophobicContact CG1-CB 4.18Å; V25-Y51 PolarHBondContact N-O 3.12Å; V25-L52 HydrophobicContact CB-CD1 4.02Å; V25-L52 HydrophobicContact CG1-CD1 3.94Å; V25-I53 PolarHBondContact O-N 3.23Å; V25-F109 HydrophobicContact CB-CE2 4.48Å; V25-F109 HydrophobicContact CG1-CD2 4.34Å; V25-F109 HydrophobicContact CG1-CE2 3.89Å; V25-F109 HydrophobicContact CG2-CE2 3.94Å; V25-F109 HydrophobicContact CG2-CZ 3.87Å; V25-V111 HydrophobicContact CG1-CB 4.42Å; V25-V111 HydrophobicContact CG1-CG2 3.49Å; V25-V111 VanDerWaalsContact CG1-CG2 3.49Å
26	W	98.8	Very high	88.7	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.1	174.9	-178.4	-95.1	0	0	0	111.4	D28 I53 V90 A93 T101 L102 Y105 C107 F109 C110 V111	W26-D28 HydrophobicContact CZ2-CB 4.11Å; W26-D28 PolarHBondContact NE1-OD2 2.84Å; W26-I53 WeakPolarHBondContact CA-O 3.31Å; W26-I53 HydrophobicContact CE3-CB 3.99Å; W26-I53 HydrophobicContact CE3-CG2 3.78Å; W26-I53 HydrophobicContact CZ3-CB 4.31Å; W26-I53 HydrophobicContact CZ3-CG2 3.58Å; W26-V90 HydrophobicContact CH2-CB 3.94Å; W26-V90 HydrophobicContact CH2-CG1 4.02Å; W26-V90 HydrophobicContact CH2-CG2 4.27Å; W26-V90 HydrophobicContact CZ3-CB 4.14Å; W26-V90 HydrophobicContact CZ3-CG2 3.97Å; W26-A93 HydrophobicContact CH2-CB 4.36Å; W26-A93 HydrophobicContact CZ2-CB 4.1Å; W26-T101 HydrophobicContact CH2-CG2 3.91Å; W26-T101 HydrophobicContact CZ2-CG2 3.61Å; W26-T101 HydrophobicContact CZ3-CG2 4.49Å; W26-L102 HydrophobicContact CB-CD2 3.47Å; W26-L102 VanDerWaalsContact CB-CD2 3.47Å; W26-L102 HydrophobicContact CD2-CD2 4.45Å; W26-L102 HydrophobicContact CG-CD2 3.62Å; W26-Y105 HydrophobicContact CE3-CD2 4.19Å; W26-Y105 AromaticContact CH2-CD2 3.86Å; W26-Y105 HydrophobicContact CH2-CD2 3.86Å; W26-Y105 AromaticContact CH2-CE2 3.92Å; W26-Y105 HydrophobicContact CH2-CE2 3.92Å; W26-Y105 AromaticContact CZ3-CD2 3.44Å; W26-Y105 HydrophobicContact CZ3-CD2 3.44Å; W26-Y105 VanDerWaalsContact CZ3-CD2 3.44Å; W26-Y105 AromaticContact CZ3-CE2 3.93Å; W26-Y105 HydrophobicContact CZ3-CE2 3.93Å; W26-Y105 AromaticContact CZ3-CG 3.9Å; W26-Y105 HydrophobicContact CZ3-CG 3.9Å; W26-C107 HydrophobicContact CB-CB 3.87Å; W26-F109 PolarHBondContact N-O 3.44Å; W26-C110 HydrophobicContact CB-CB 4.31Å; W26-C110 CarbonylContact O-C 3.54Å; W26-C110 WeakPolarHBondContact O-CA 3.35Å; W26-V111 PolarHBondContact O-N 3.05Å
27	C	98.8	Very high	90.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.7	158	-72.1	0	0	0	0	108.4	L42 A45 L52 I53 V54 G55 V111	C27-L42 HydrophobicContact CB-CD2 3.99Å; C27-A45 WeakPolarHBondContact SG-CB 3.41Å; C27-L52 HydrophobicContact CB-CD1 4.45Å; C27-I53 PolarHBondContact N-O 3.45Å; C27-V54 HydrophobicContact CB-CG2 4.42Å; C27-V54 CarbonylContact O-C 3.6Å; C27-V54 VanDerWaalsContact O-CA 3.25Å; C27-V54 WeakPolarHBondContact O-CA 3.5Å; C27-G55 PolarHBondContact O-N 3.23Å; C27-V111 PolarHBondContact SG-O 3.5Å
28	D	98.4	Very high	93	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	167.4	165.8	58.9	70	0	0	0	111	W26 G55 H57 T97 H112	W26-D28 HydrophobicContact CZ2-CB 4.11Å; W26-D28 PolarHBondContact NE1-OD2 2.84Å; D28-G55 WeakPolarHBondContact CA-O 3.19Å; D28-G55 WeakPolarHBondContact CB-O 3.26Å; D28-H57 IonicContact OD1-CE1 2.62Å; D28-T97 PolarHBondContact OD2-OG1 2.83Å; D28-H112 IonicContact OD1-CE1 3.27Å; D28-H112 PolarHBondContact OD1-CE1 2.8Å; D28-H112 IonicContact OD1-NE2 3.79Å; D28-H112 IonicContact OD2-NE2 3.91Å
29	G	96.7	Very high	94.7	Very high	16 Å²	16	27.8 Å²	27.8	17%	0.165	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.5	175.8	179.7	0	0	0	0	0	113.2	Y31 G55 H57	G29-Y31 WeakPolarHBondContact O-CD2 3.21Å; G29-G55 PolarHBondContact N-O 3.04Å; G29-H57 WeakPolarHBondContact CA-NE2 3.47Å; G29-H57 PolarHBondContact O-CD2 3Å; G29-H57 PolarHBondContact O-N 2.98Å
30	C	96.1	Very high	96.2	Very high	17 Å²	17	25.7 Å²	25.7	12%	0.115	12%	0.123	C	C	.	.			trans	-69.6	-42.6	175	-59.4	0	0	0	0	111.3	D32 H57 I62 K66 R76	C30-D32 HydrophobicContact CB-CB 4.34Å; C30-D32 PolarHBondContact O-N 3.46Å; C30-H57 PolarHBondContact N-CD2 3.45Å; C30-I62 HydrophobicContact CB-CD1 3.83Å; C30-I62 HydrophobicContact CB-CG1 4.44Å; C30-K66 WeakPolarHBondContact SG-CE 3.29Å; C30-K66 PolarHBondContact SG-NZ 3.24Å; C30-R76 WeakPolarHBondContact O-CD 3.45Å; C30-R76 PolarHBondContact O-NH1 2.99Å
31	Y	97.5	Very high	96.9	Very high	8 Å²	8	19.9 Å²	19.9	3%	0.031	10%	0.103	C	C	.	.			trans	49.1	40.4	-170.8	-59.8	-79.6	0	0	0	112.9	G29 V34 H38 L42 V54 V56 V80	G29-Y31 WeakPolarHBondContact O-CD2 3.21Å; Y31-V34 WeakPolarHBondContact O-CG2 3.4Å; Y31-H38 HydrophobicContact CD1-CB 4.24Å; Y31-H38 HydrophobicContact CE1-CB 4.38Å; Y31-L42 HydrophobicContact CE1-CD1 4.07Å; Y31-L42 HydrophobicContact CE1-CD2 4.31Å; Y31-L42 HydrophobicContact CE1-CG 4.36Å; Y31-V54 HydrophobicContact CD2-CG1 4.14Å; Y31-V54 HydrophobicContact CE2-CG1 3.33Å; Y31-V56 HydrophobicContact CD2-CG2 3.97Å; Y31-V56 HydrophobicContact CE2-CG2 4.47Å; Y31-V80 VanDerWaalsContact CB-CG2 3.41Å; Y31-V80 HydrophobicContact CD1-CG2 3.98Å; Y31-V80 HydrophobicContact CD2-CG2 3.89Å; Y31-V80 HydrophobicContact CG-CG2 3.48Å; Y31-V80 VanDerWaalsContact CG-CG2 3.48Å
32	D	94.3	Very high	97.3	Very high	25 Å²	25	14.5 Å²	14.5	13%	0.134	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	120.8	177.3	-171.5	35.5	0	0	0	109.5	C30 P69 V70 F71	C30-D32 HydrophobicContact CB-CB 4.34Å; C30-D32 PolarHBondContact O-N 3.46Å; D32-P69 HydrophobicContact CB-CB 4.2Å; D32-P69 VanDerWaalsContact OD2-CA 3.27Å; D32-P69 WeakPolarHBondContact OD2-CA 3.32Å; D32-V70 VanDerWaalsContact CG-N 3.33Å; D32-V70 PolarHBondContact OD1-N 3.34Å; D32-V70 VanDerWaalsContact OD1-N 3.14Å; D32-V70 PolarHBondContact OD2-N 3.26Å; D32-F71 WeakPolarHBondContact OD1-CD2 3.13Å; D32-F71 PolarHBondContact OD1-N 3.31Å
33	M	92.7	Very high	97.4	Very high	7 Å²	7	15 Å²	15	3%	0.034	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	64	-167.5	-167.8	55.9	-92.2	0	0	113.1	H35 F71 T146 I345 I349	M33-H35 PolarHBondContact O-CD2 3.07Å; M33-H35 PolarHBondContact O-N 3.35Å; M33-F71 HydrophobicContact CB-CD2 4.29Å; M33-F71 HydrophobicContact CB-CE2 3.83Å; M33-F71 HydrophobicContact CG-CE2 4.25Å; M33-F71 HydrophobicContact SD-CE2 3.57Å; M33-F71 VanDerWaalsContact SD-CE2 3.57Å; M33-F71 HydrophobicContact SD-CZ 3.83Å; M33-T146 HydrophobicContact CB-CG2 4.46Å; M33-I345 HydrophobicContact SD-CG2 3.8Å; M33-I349 HydrophobicContact CG-CD1 4.37Å; M33-I349 HydrophobicContact SD-CD1 4.48Å
34	V	97.3	Very high	97.5	Very high	6 Å²	6	15.6 Å²	15.6	4%	0.036	8%	0.079	C	C	.	.			trans	-51.4	138.2	176.1	176.6	0	0	0	0	111.5	Y31 H38 M79 I83	Y31-V34 WeakPolarHBondContact O-CG2 3.4Å; V34-H38 HydrophobicContact CG1-CB 4.31Å; V34-M79 HydrophobicContact CB-CE 4.15Å; V34-M79 HydrophobicContact CB-CG 3.71Å; V34-M79 HydrophobicContact CG1-CE 4.09Å; V34-M79 HydrophobicContact CG1-CG 4.22Å; V34-M79 HydrophobicContact CG2-CB 4.32Å; V34-M79 HydrophobicContact CG2-CG 3.66Å; V34-I83 HydrophobicContact CG1-CD1 4Å
35	H	96.9	Very high	97.5	Very high	15 Å²	15	13 Å²	13	7%	0.069	7%	0.07	C	C	.	.			trans	-143.9	170.8	176.8	57	80.8	0	0	0	109.3	M33 G37 H38 S39 V144 L149 M266	M33-H35 PolarHBondContact O-CD2 3.07Å; M33-H35 PolarHBondContact O-N 3.35Å; H35-G37 PolarHBondContact ND1-N 3.38Å; H35-G37 VanDerWaalsContact ND1-N 3.18Å; H35-G37 PolarHBondContact O-N 3.24Å; H35-H38 AromaticContact CD2-CE1 3.41Å; H35-H38 PolarHBondContact CD2-CE1 3.27Å; H35-H38 VanDerWaalsContact CD2-CE1 3.41Å; H35-H38 AromaticContact CD2-ND1 3.36Å; H35-H38 PolarHBondContact CD2-ND1 3.45Å; H35-H38 AromaticContact CE1-CE1 3.81Å; H35-H38 AromaticContact CE1-ND1 3.66Å; H35-H38 AromaticContact CG-ND1 3.67Å; H35-H38 PolarHBondContact N-ND1 3.15Å; H35-H38 AromaticContact ND1-ND1 3.86Å; H35-H38 AromaticContact NE2-CE1 3.16Å; H35-H38 PolarHBondContact NE2-CE1 3.49Å; H35-H38 AromaticContact NE2-ND1 3.37Å; H35-H38 PolarHBondContact NE2-ND1 3.44Å; H35-H38 WeakPolarHBondContact O-CB 3.49Å; H35-H38 PolarHBondContact O-N 2.8Å; H35-S39 PolarHBondContact O-N 3.47Å; H35-S39 PolarHBondContact O-OG 2.85Å; H35-V144 HydrophobicContact CB-CG2 4.17Å; H35-V144 WeakPolarHBondContact ND1-CG1 3.43Å; H35-V144 WeakPolarHBondContact ND1-CG2 3.12Å; H35-L149 HydrophobicContact CB-CD1 3.78Å; H35-M266 HydrophobicContact CB-CE 3.8Å
36	Y	96.7	Very high	97.4	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	8%	0.082	C	C	.	.	H	α-helix	trans	-57.6	-17.6	-175.3	71.7	-93.6	0	0	0	114.7	N40 T141 Q142 G143 V144 F193 E270 L273	Y36-N40 WeakPolarHBondContact O-CB 3.48Å; Y36-N40 PolarHBondContact O-N 3.14Å; Y36-T141 HydrophobicContact CD2-CG2 3.96Å; Y36-T141 HydrophobicContact CE2-CG2 3.77Å; Y36-Q142 PolarHBondContact OH-O 3.41Å; Y36-G143 PolarHBondContact OH-O 3.06Å; Y36-V144 HydrophobicContact CD1-CB 4.36Å; Y36-V144 HydrophobicContact CD1-CG1 4.05Å; Y36-V144 HydrophobicContact CD1-CG2 4.49Å; Y36-V144 HydrophobicContact CD2-CG1 3.98Å; Y36-V144 HydrophobicContact CE1-CB 3.52Å; Y36-V144 HydrophobicContact CE1-CG1 3.55Å; Y36-V144 HydrophobicContact CE1-CG2 3.93Å; Y36-V144 HydrophobicContact CE2-CB 4.2Å; Y36-V144 HydrophobicContact CE2-CG1 3.48Å; Y36-V144 VanDerWaalsContact CE2-CG1 3.48Å; Y36-V144 HydrophobicContact CG-CG1 4.24Å; Y36-V144 VanDerWaalsContact CZ-CB 3.44Å; Y36-V144 WeakPolarHBondContact OH-CB 3.49Å; Y36-F193 AromaticContact CE2-CD2 3.97Å; Y36-F193 HydrophobicContact CE2-CD2 3.97Å; Y36-F193 AromaticContact CE2-CE2 3.85Å; Y36-F193 HydrophobicContact CE2-CE2 3.85Å; Y36-F193 AromaticContact CZ-CD2 3.89Å; Y36-F193 VanDerWaalsContact OH-CD2 3.23Å; Y36-F193 WeakPolarHBondContact OH-CD2 3.41Å; Y36-E270 HydrophobicContact CD1-CB 4.27Å; Y36-E270 HydrophobicContact CE1-CB 3.85Å; Y36-E270 HydrophobicContact CE1-CG 3.69Å; Y36-L273 HydrophobicContact CD2-CD1 4.03Å; Y36-L273 HydrophobicContact CE2-CD1 4.45Å; Y36-L273 HydrophobicContact CG-CB 4.3Å
37	G	96.2	Very high	97.4	Very high	9 Å²	9	19.8 Å²	19.8	9%	0.093	11%	0.112	C	C	.	.	H	α-helix	trans	-65.3	-48.6	172.3	0	0	0	0	0	112.7	H35 N40 Q41 T141	H35-G37 PolarHBondContact ND1-N 3.38Å; H35-G37 VanDerWaalsContact ND1-N 3.18Å; H35-G37 PolarHBondContact O-N 3.24Å; G37-N40 PolarHBondContact O-N 3.14Å; G37-Q41 PolarHBondContact O-N 3.38Å; G37-T141 PolarHBondContact O-OG1 2.77Å
38	H	98.1	Very high	97.4	Very high	33 Å²	33	23.2 Å²	23.2	15%	0.153	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-44.2	172.2	-61.2	107.4	0	0	0	110.7	Y31 V34 H35 N40 Q41 L42	Y31-H38 HydrophobicContact CD1-CB 4.24Å; Y31-H38 HydrophobicContact CE1-CB 4.38Å; V34-H38 HydrophobicContact CG1-CB 4.31Å; H35-H38 AromaticContact CD2-CE1 3.41Å; H35-H38 PolarHBondContact CD2-CE1 3.27Å; H35-H38 VanDerWaalsContact CD2-CE1 3.41Å; H35-H38 AromaticContact CD2-ND1 3.36Å; H35-H38 PolarHBondContact CD2-ND1 3.45Å; H35-H38 AromaticContact CE1-CE1 3.81Å; H35-H38 AromaticContact CE1-ND1 3.66Å; H35-H38 AromaticContact CG-ND1 3.67Å; H35-H38 PolarHBondContact N-ND1 3.15Å; H35-H38 AromaticContact ND1-ND1 3.86Å; H35-H38 AromaticContact NE2-CE1 3.16Å; H35-H38 PolarHBondContact NE2-CE1 3.49Å; H35-H38 AromaticContact NE2-ND1 3.37Å; H35-H38 PolarHBondContact NE2-ND1 3.44Å; H35-H38 WeakPolarHBondContact O-CB 3.49Å; H35-H38 PolarHBondContact O-N 2.8Å; H38-N40 VanDerWaalsContact C-N 3.32Å; H38-N40 PolarHBondContact O-N 3.33Å; H38-Q41 WeakPolarHBondContact O-CB 3.44Å; H38-Q41 PolarHBondContact O-N 3.44Å; H38-Q41 VanDerWaalsContact O-N 3.17Å; H38-L42 WeakPolarHBondContact O-CG 3.3Å; H38-L42 PolarHBondContact O-N 2.96Å
39	S	98.4	Very high	97.4	Very high	5 Å²	5	23.3 Å²	23.3	4%	0.035	13%	0.132	C	C	.	.	H	α-helix	trans	-60.2	-40.3	177.8	-47.4	0	0	0	0	112.2	H35 L42 R43 W85	H35-S39 PolarHBondContact O-N 3.47Å; H35-S39 PolarHBondContact O-OG 2.85Å; S39-L42 PolarHBondContact O-N 2.76Å; S39-R43 WeakPolarHBondContact O-CB 3.42Å; S39-R43 PolarHBondContact O-N 3.48Å; S39-W85 WeakPolarHBondContact O-CZ3 3.42Å
40	N	98.2	Very high	97.4	Very high	19 Å²	19	25.9 Å²	25.9	10%	0.102	14%	0.142	C	C	.	.	H	α-helix	trans	-72.1	-31.9	176	-175.8	51.8	0	0	0	113.2	Y36 G37 H38 R43 Q44 T141 F203	Y36-N40 WeakPolarHBondContact O-CB 3.48Å; Y36-N40 PolarHBondContact O-N 3.14Å; G37-N40 PolarHBondContact O-N 3.14Å; H38-N40 VanDerWaalsContact C-N 3.32Å; H38-N40 PolarHBondContact O-N 3.33Å; N40-R43 PolarHBondContact OD1-NE 2.72Å; N40-R43 PolarHBondContact OD1-NH2 2.81Å; N40-Q44 PolarHBondContact ND2-NE2 3.06Å; N40-Q44 WeakPolarHBondContact O-CB 3.33Å; N40-Q44 VanDerWaalsContact O-CG 3.3Å; N40-Q44 WeakPolarHBondContact O-CG 3.34Å; N40-Q44 PolarHBondContact O-N 2.82Å; N40-Q44 PolarHBondContact O-NE2 3.16Å; N40-T141 HydrophobicContact CB-CG2 4.24Å; N40-T141 WeakPolarHBondContact CB-OG1 3.14Å; N40-T141 PolarHBondContact ND2-OG1 3.18Å; N40-F203 HydrophobicContact CB-CE2 3.95Å; N40-F203 HydrophobicContact CB-CZ 3.75Å
41	Q	98.3	Very high	97.5	Very high	34 Å²	34	28.5 Å²	28.5	16%	0.159	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-51.4	169.4	171.9	-168	-7.4	0	0	109.7	G37 H38 R43 Q44 A45	G37-Q41 PolarHBondContact O-N 3.38Å; H38-Q41 WeakPolarHBondContact O-CB 3.44Å; H38-Q41 PolarHBondContact O-N 3.44Å; H38-Q41 VanDerWaalsContact O-N 3.17Å; Q41-R43 VanDerWaalsContact C-N 3.33Å; Q41-R43 PolarHBondContact O-N 3.24Å; Q41-Q44 WeakPolarHBondContact O-CB 3.5Å; Q41-Q44 PolarHBondContact O-N 2.79Å; Q41-Q44 VanDerWaalsContact O-N 3.09Å; Q41-A45 PolarHBondContact O-N 3.38Å
42	L	98.8	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-37.8	-179.4	-65.1	171	0	0	0	111.8	C27 Y31 H38 S39 A45 R46 L52 V54 I83 V86	C27-L42 HydrophobicContact CB-CD2 3.99Å; Y31-L42 HydrophobicContact CE1-CD1 4.07Å; Y31-L42 HydrophobicContact CE1-CD2 4.31Å; Y31-L42 HydrophobicContact CE1-CG 4.36Å; H38-L42 WeakPolarHBondContact O-CG 3.3Å; H38-L42 PolarHBondContact O-N 2.96Å; S39-L42 PolarHBondContact O-N 2.76Å; L42-A45 PolarHBondContact O-N 2.78Å; L42-R46 WeakPolarHBondContact O-CB 3.49Å; L42-R46 PolarHBondContact O-N 3.36Å; L42-L52 HydrophobicContact CB-CD2 4.03Å; L42-L52 HydrophobicContact CD2-CD2 3.99Å; L42-L52 WeakPolarHBondContact O-CD2 3.17Å; L42-V54 HydrophobicContact CD2-CG1 4.36Å; L42-V54 HydrophobicContact CD2-CG2 3.58Å; L42-I83 HydrophobicContact CD1-CD1 3.55Å; L42-I83 HydrophobicContact CD1-CG2 4.36Å; L42-V86 HydrophobicContact CD1-CG2 3.79Å; L42-V86 HydrophobicContact CD2-CG2 4.47Å; L42-V86 HydrophobicContact CG-CG2 4.49Å
43	R	98.6	Very high	97.8	Very high	40 Å²	40	26.9 Å²	26.9	15%	0.151	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-48	170	-175.3	-168.9	69.9	72.4	3.8	112	S39 N40 Q41 A47 W85 Q202	S39-R43 WeakPolarHBondContact O-CB 3.42Å; S39-R43 PolarHBondContact O-N 3.48Å; N40-R43 PolarHBondContact OD1-NE 2.72Å; N40-R43 PolarHBondContact OD1-NH2 2.81Å; Q41-R43 VanDerWaalsContact C-N 3.33Å; Q41-R43 PolarHBondContact O-N 3.24Å; R43-A47 WeakPolarHBondContact O-CB 3.46Å; R43-A47 PolarHBondContact O-N 2.89Å; R43-W85 HydrophobicContact CB-CD2 3.57Å; R43-W85 HydrophobicContact CB-CE3 3.67Å; R43-W85 HydrophobicContact CB-CG 4.14Å; R43-W85 HydrophobicContact CB-CH2 3.99Å; R43-W85 HydrophobicContact CB-CZ2 3.9Å; R43-W85 HydrophobicContact CB-CZ3 3.88Å; R43-W85 HydrophobicContact CG-CD2 3.86Å; R43-W85 VanDerWaalsContact CG-CE2 3.43Å; R43-W85 HydrophobicContact CG-CE3 4.36Å; R43-W85 HydrophobicContact CG-CG 4.35Å; R43-W85 HydrophobicContact CG-CH2 4.1Å; R43-W85 HydrophobicContact CG-CZ2 3.56Å; R43-W85 HydrophobicContact CG-CZ3 4.46Å; R43-Q202 WeakPolarHBondContact CD-O 3.35Å
44	Q	98.6	Very high	98.1	Very high	28 Å²	28	26.6 Å²	26.6	13%	0.131	14%	0.14	C	C	.	.	H	α-helix	trans	-63.4	-43.5	178.9	-75.4	176.1	91.2	0	0	111	N40 Q41 A47 M48 C138 K139	N40-Q44 PolarHBondContact ND2-NE2 3.06Å; N40-Q44 WeakPolarHBondContact O-CB 3.33Å; N40-Q44 VanDerWaalsContact O-CG 3.3Å; N40-Q44 WeakPolarHBondContact O-CG 3.34Å; N40-Q44 PolarHBondContact O-N 2.82Å; N40-Q44 PolarHBondContact O-NE2 3.16Å; Q41-Q44 WeakPolarHBondContact O-CB 3.5Å; Q41-Q44 PolarHBondContact O-N 2.79Å; Q41-Q44 VanDerWaalsContact O-N 3.09Å; Q44-A47 PolarHBondContact O-N 3.03Å; Q44-M48 WeakPolarHBondContact O-CG 3.33Å; Q44-M48 PolarHBondContact O-N 2.92Å; Q44-C138 HydrophobicContact CB-CB 3.94Å; Q44-K139 PolarHBondContact NE2-O 2.79Å; Q44-K139 VanDerWaalsContact OE1-N 3.08Å
45	A	98.6	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-48.3	176.8	0	0	0	0	0	111.8	V25 C27 Q41 L42 A47 M48 L52 V111	V25-A45 HydrophobicContact CG1-CB 4.18Å; C27-A45 WeakPolarHBondContact SG-CB 3.41Å; Q41-A45 PolarHBondContact O-N 3.38Å; L42-A45 PolarHBondContact O-N 2.78Å; A45-A47 PolarHBondContact O-N 2.89Å; A45-M48 WeakPolarHBondContact O-CB 3.48Å; A45-M48 PolarHBondContact O-N 3.36Å; A45-L52 HydrophobicContact CB-CD1 4.01Å; A45-L52 HydrophobicContact CB-CD2 4.41Å; A45-V111 HydrophobicContact CB-CB 3.76Å; A45-V111 HydrophobicContact CB-CG1 3.9Å; A45-V111 HydrophobicContact CB-CG2 3.95Å
46	R	98.5	Very high	98.3	Very high	67 Å²	67	25.6 Å²	25.6	25%	0.253	14%	0.135	S	C	.	.	H	α-helix	trans	-59.9	-33.3	177.3	-177.8	60.1	-173.3	75.4	1.9	112.5	L42 M48 G49 D50 L52 W85 D87	L42-R46 WeakPolarHBondContact O-CB 3.49Å; L42-R46 PolarHBondContact O-N 3.36Å; R46-M48 PolarHBondContact O-N 2.92Å; R46-G49 PolarHBondContact NH1-O 2.7Å; R46-G49 CarbonylContact O-C 3.55Å; R46-G49 PolarHBondContact O-N 3.44Å; R46-D50 PolarHBondContact NH2-O 3.17Å; R46-L52 HydrophobicContact CB-CB 4.14Å; R46-L52 HydrophobicContact CB-CD2 3.94Å; R46-L52 HydrophobicContact CG-CB 4.4Å; R46-W85 HydrophobicContact CB-CB 3.87Å; R46-W85 HydrophobicContact CB-CG 4.49Å; R46-W85 WeakPolarHBondContact CD-O 3.42Å; R46-W85 HydrophobicContact CG-CB 4.09Å; R46-W85 WeakPolarHBondContact CG-O 3.42Å; R46-D87 IonicContact NE-OD2 2.75Å; R46-D87 PolarHBondContact NE-OD2 3Å
47	A	98.1	Very high	98.3	Very high	77 Å²	77	25.8 Å²	25.8	64%	0.636	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-12.9	177.3	0	0	0	0	0	114	R43 Q44 A45	R43-A47 WeakPolarHBondContact O-CB 3.46Å; R43-A47 PolarHBondContact O-N 2.89Å; Q44-A47 PolarHBondContact O-N 3.03Å; A45-A47 PolarHBondContact O-N 2.89Å
48	M	98.4	Very high	98.4	Very high	71 Å²	71	26.7 Å²	26.7	35%	0.35	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.5	176	-61.4	175.8	-167.7	0	0	113	Q44 A45 R46 F109 V111 R136 C138	Q44-M48 WeakPolarHBondContact O-CG 3.33Å; Q44-M48 PolarHBondContact O-N 2.92Å; A45-M48 WeakPolarHBondContact O-CB 3.48Å; A45-M48 PolarHBondContact O-N 3.36Å; R46-M48 PolarHBondContact O-N 2.92Å; M48-F109 HydrophobicContact CB-CE2 3.93Å; M48-F109 HydrophobicContact CB-CZ 3.83Å; M48-F109 HydrophobicContact SD-CE2 4.42Å; M48-V111 HydrophobicContact CE-CG1 4.11Å; M48-V111 HydrophobicContact SD-CG1 4.07Å; M48-V111 HydrophobicContact SD-CG2 3.68Å; M48-R136 HydrophobicContact SD-CB 4.11Å; M48-C138 HydrophobicContact CE-CB 4.26Å
49	G	97.5	Very high	98.3	Very high	11 Å²	11	27.3 Å²	27.3	11%	0.113	14%	0.144	C	C	.	.	S	Bend	trans	-153.9	-157.9	-179.9	0	0	0	0	0	113.1	R46	R46-G49 PolarHBondContact NH1-O 2.7Å; R46-G49 CarbonylContact O-C 3.55Å; R46-G49 PolarHBondContact O-N 3.44Å
50	D	97.9	Very high	98.2	Very high	71 Å²	71	33.4 Å²	33.4	38%	0.38	17%	0.172	S	C	.	.	S	Bend	trans	-114.5	-14.6	-171.5	-58.5	-60.7	0	0	0	112.9	R20 A22 V23 R46	R20-D50 IonicContact NH2-OD2 3.2Å; R20-D50 PolarHBondContact NH2-OD2 2.78Å; A22-D50 HydrophobicContact CB-CB 4.18Å; V23-D50 PolarHBondContact N-OD2 3.43Å; V23-D50 PolarHBondContact O-N 3.46Å; R46-D50 PolarHBondContact NH2-O 3.17Å
51	Y	98.6	Very high	98	Very high	71 Å²	71	34.7 Å²	34.7	28%	0.278	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	134.6	178.4	-163.5	-93	0	0	0	110	V23 R24 V25 I53 D87 E88	V23-Y51 PolarHBondContact O-N 3.27Å; R24-Y51 VanDerWaalsContact NH1-CD1 3.32Å; V25-Y51 PolarHBondContact N-O 3.12Å; Y51-I53 HydrophobicContact CD1-CG1 3.87Å; Y51-I53 HydrophobicContact CE1-CG1 3.9Å; Y51-D87 WeakPolarHBondContact CA-OD2 3.44Å; Y51-D87 HydrophobicContact CD1-CB 3.95Å; Y51-D87 HydrophobicContact CD2-CB 3.7Å; Y51-D87 HydrophobicContact CE1-CB 3.62Å; Y51-D87 HydrophobicContact CE2-CB 3.36Å; Y51-D87 HydrophobicContact CG-CB 4Å; Y51-E88 HydrophobicContact CE1-CB 4.19Å
52	L	98.9	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.8	-179.5	178.3	63.1	0	0	0	111.5	V25 C27 L42 A45 R46 V54 W85 V86 D87 E88	V25-L52 HydrophobicContact CB-CD1 4.02Å; V25-L52 HydrophobicContact CG1-CD1 3.94Å; C27-L52 HydrophobicContact CB-CD1 4.45Å; L42-L52 HydrophobicContact CB-CD2 4.03Å; L42-L52 HydrophobicContact CD2-CD2 3.99Å; L42-L52 WeakPolarHBondContact O-CD2 3.17Å; A45-L52 HydrophobicContact CB-CD1 4.01Å; A45-L52 HydrophobicContact CB-CD2 4.41Å; R46-L52 HydrophobicContact CB-CB 4.14Å; R46-L52 HydrophobicContact CB-CD2 3.94Å; R46-L52 HydrophobicContact CG-CB 4.4Å; L52-V54 HydrophobicContact CD1-CG2 4.5Å; L52-V54 HydrophobicContact CD2-CG2 4.3Å; L52-V54 HydrophobicContact CG-CG2 4.06Å; L52-W85 WeakPolarHBondContact CB-O 3.43Å; L52-V86 HydrophobicContact CD2-CG2 4.4Å; L52-D87 PolarHBondContact N-OD2 2.93Å; L52-D87 WeakPolarHBondContact O-CB 3.48Å; L52-D87 PolarHBondContact O-N 3.36Å; L52-E88 PolarHBondContact O-N 2.9Å
53	I	98.9	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.8	171.4	-49.7	175.1	0	0	0	108.7	V25 W26 C27 Y51 E88 V90 C107	V25-I53 PolarHBondContact O-N 3.23Å; W26-I53 WeakPolarHBondContact CA-O 3.31Å; W26-I53 HydrophobicContact CE3-CB 3.99Å; W26-I53 HydrophobicContact CE3-CG2 3.78Å; W26-I53 HydrophobicContact CZ3-CB 4.31Å; W26-I53 HydrophobicContact CZ3-CG2 3.58Å; C27-I53 PolarHBondContact N-O 3.45Å; Y51-I53 HydrophobicContact CD1-CG1 3.87Å; Y51-I53 HydrophobicContact CE1-CG1 3.9Å; I53-E88 WeakPolarHBondContact CA-O 3.34Å; I53-V90 HydrophobicContact CG2-CB 4.47Å; I53-V90 HydrophobicContact CG2-CG2 3.53Å; I53-C107 WeakPolarHBondContact CD1-SG 3.27Å
54	V	98.9	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.8	178.2	-172.2	0	0	0	0	111.2	C27 Y31 L42 L52 V56 V80 V86 E88 V89 V90	C27-V54 HydrophobicContact CB-CG2 4.42Å; C27-V54 CarbonylContact O-C 3.6Å; C27-V54 VanDerWaalsContact O-CA 3.25Å; C27-V54 WeakPolarHBondContact O-CA 3.5Å; Y31-V54 HydrophobicContact CD2-CG1 4.14Å; Y31-V54 HydrophobicContact CE2-CG1 3.33Å; L42-V54 HydrophobicContact CD2-CG1 4.36Å; L42-V54 HydrophobicContact CD2-CG2 3.58Å; L52-V54 HydrophobicContact CD1-CG2 4.5Å; L52-V54 HydrophobicContact CD2-CG2 4.3Å; L52-V54 HydrophobicContact CG-CG2 4.06Å; V54-V56 HydrophobicContact CG1-CG2 4.24Å; V54-V80 HydrophobicContact CB-CG1 3.82Å; V54-V80 HydrophobicContact CG1-CG1 3.67Å; V54-V80 HydrophobicContact CG2-CG1 4.22Å; V54-V86 HydrophobicContact CB-CG1 4.29Å; V54-V86 HydrophobicContact CG2-CB 4.36Å; V54-V86 HydrophobicContact CG2-CG1 3.81Å; V54-V86 HydrophobicContact CG2-CG2 3.74Å; V54-E88 PolarHBondContact N-O 3Å; V54-V89 CarbonylContact O-C 3.5Å; V54-V89 WeakPolarHBondContact O-CA 3.45Å; V54-V90 PolarHBondContact O-N 3.23Å
55	G	98.8	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.2	168.5	0	0	0	0	0	112	C27 D28 G29 V90 A93	C27-G55 PolarHBondContact O-N 3.23Å; D28-G55 WeakPolarHBondContact CA-O 3.19Å; D28-G55 WeakPolarHBondContact CB-O 3.26Å; G29-G55 PolarHBondContact N-O 3.04Å; G55-V90 WeakPolarHBondContact CA-O 3.27Å; G55-A93 VanDerWaalsContact CA-CB 3.46Å
56	V	98.8	Very high	95.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.1	177.4	-174.6	0	0	0	0	109.7	Y31 V54 R76 Y77 V80 V89 V90 A92 A93	Y31-V56 HydrophobicContact CD2-CG2 3.97Å; Y31-V56 HydrophobicContact CE2-CG2 4.47Å; V54-V56 HydrophobicContact CG1-CG2 4.24Å; V56-R76 HydrophobicContact CG1-CB 4.19Å; V56-R76 VanDerWaalsContact CG1-NH1 3.26Å; V56-Y77 HydrophobicContact CB-CD1 3.54Å; V56-Y77 HydrophobicContact CB-CE1 3.53Å; V56-Y77 HydrophobicContact CG1-CD1 3.55Å; V56-Y77 HydrophobicContact CG1-CE1 3.53Å; V56-Y77 HydrophobicContact CG2-CD1 4.22Å; V56-Y77 WeakPolarHBondContact O-CE1 3.48Å; V56-V80 HydrophobicContact CG2-CB 4.39Å; V56-V80 HydrophobicContact CG2-CG1 4.39Å; V56-V80 HydrophobicContact CG2-CG2 4.12Å; V56-V89 HydrophobicContact CG2-CG1 3.95Å; V56-V90 PolarHBondContact N-O 3.09Å; V56-A92 PolarHBondContact O-N 2.89Å; V56-A93 PolarHBondContact O-N 3.38Å
57	H	98.2	Very high	94.1	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.023	24%	0.243	C	C	.	.			trans	-69.6	153.5	-176.2	-38.4	-55	0	0	0	111.9	D28 G29 C30 E61 I62 R76 A93 P94 Y95	D28-H57 IonicContact OD1-CE1 2.62Å; G29-H57 WeakPolarHBondContact CA-NE2 3.47Å; G29-H57 PolarHBondContact O-CD2 3Å; G29-H57 PolarHBondContact O-N 2.98Å; C30-H57 PolarHBondContact N-CD2 3.45Å; H57-E61 HydrophobicContact CB-CB 4.45Å; H57-I62 HydrophobicContact CB-CD1 4.26Å; H57-I62 HydrophobicContact CB-CG1 3.87Å; H57-R76 PolarHBondContact O-NH1 3.38Å; H57-R76 PolarHBondContact O-NH2 3.38Å; H57-A93 PolarHBondContact ND1-O 3.27Å; H57-A93 VanDerWaalsContact ND1-O 3.14Å; H57-P94 PolarHBondContact CE1-O 3.49Å; H57-P94 PolarHBondContact ND1-O 2.96Å; H57-Y95 AromaticContact CD2-CD2 3.91Å
58	T	98.1	Very high	93.4	Very high	28 Å²	28	44.5 Å²	44.5	17%	0.172	23%	0.23	C	C	.	.			trans	-70.9	163.9	172.5	61.9	0	0	0	0	111.8	E60 E61 I62 Q73 A92	T58-E60 VanDerWaalsContact C-N 3.29Å; T58-E60 PolarHBondContact O-N 2.75Å; T58-E61 PolarHBondContact O-N 2.84Å; T58-E61 VanDerWaalsContact OG1-CB 3.26Å; T58-E61 WeakPolarHBondContact OG1-CB 3.46Å; T58-E61 PolarHBondContact OG1-N 3.08Å; T58-E61 VanDerWaalsContact OG1-N 3.12Å; T58-I62 VanDerWaalsContact O-CG1 3.32Å; T58-I62 WeakPolarHBondContact O-CG1 3.34Å; T58-I62 PolarHBondContact O-N 2.78Å; T58-I62 VanDerWaalsContact O-N 3.14Å; T58-Q73 VanDerWaalsContact CA-OE1 3.31Å; T58-A92 HydrophobicContact CG2-CB 3.49Å; T58-A92 VanDerWaalsContact CG2-CB 3.49Å
59	D	95.9	Very high	93.1	Very high	47 Å²	47	41.9 Å²	41.9	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-40	175.3	-62.4	-30	0	0	0	111.4	I62 A63 P69 Q73 R76	D59-I62 PolarHBondContact O-N 3.32Å; D59-A63 WeakPolarHBondContact O-CB 3.43Å; D59-A63 PolarHBondContact O-N 2.67Å; D59-P69 HydrophobicContact CB-CG 4.17Å; D59-P69 VanDerWaalsContact OD1-CG 3.27Å; D59-P69 WeakPolarHBondContact OD1-CG 3.26Å; D59-Q73 VanDerWaalsContact CG-N 3.34Å; D59-Q73 VanDerWaalsContact N-OE1 3.14Å; D59-Q73 PolarHBondContact OD1-N 2.78Å; D59-Q73 PolarHBondContact OD2-N 2.87Å; D59-R76 IonicContact OD1-CZ 3.3Å; D59-R76 IonicContact OD1-NE 3.92Å; D59-R76 IonicContact OD1-NH2 3.72Å; D59-R76 PolarHBondContact OD1-NH2 3.02Å
60	E	95.3	Very high	92.8	Very high	132 Å²	132	42.6 Å²	42.6	62%	0.617	22%	0.221	S	C	*	.	H	α-helix	trans	-62.3	-44.7	176.9	-167.9	-161	134.8	0	0	111.9	T58 I62 A63 K64	T58-E60 VanDerWaalsContact C-N 3.29Å; T58-E60 PolarHBondContact O-N 2.75Å; E60-I62 VanDerWaalsContact C-N 3.35Å; E60-I62 PolarHBondContact O-N 3.25Å; E60-A63 PolarHBondContact O-N 3.05Å; E60-K64 PolarHBondContact O-N 3.3Å; E60-K64 VanDerWaalsContact OE1-CE 3.22Å; E60-K64 WeakPolarHBondContact OE1-CE 3.38Å; E60-K64 IonicContact OE1-NZ 3.95Å; E60-K64 PolarHBondContact OE1-NZ 3.05Å
61	E	93.9	Very high	92.7	Very high	46 Å²	46	40 Å²	40	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-68	-37.5	-177.5	-169.9	63.2	-170.8	0	0	111.9	H57 T58 K64 H65 Y95	H57-E61 HydrophobicContact CB-CB 4.45Å; T58-E61 PolarHBondContact O-N 2.84Å; T58-E61 VanDerWaalsContact OG1-CB 3.26Å; T58-E61 WeakPolarHBondContact OG1-CB 3.46Å; T58-E61 PolarHBondContact OG1-N 3.08Å; T58-E61 VanDerWaalsContact OG1-N 3.12Å; E61-K64 PolarHBondContact O-N 2.88Å; E61-K64 IonicContact OE2-NZ 3.84Å; E61-K64 PolarHBondContact OE2-NZ 3.37Å; E61-H65 PolarHBondContact O-ND1 2.88Å; E61-H65 IonicContact OE1-CE1 3.31Å; E61-H65 PolarHBondContact OE1-CE1 2.97Å; E61-Y95 HydrophobicContact CG-CD2 4.44Å
62	I	92	Very high	92.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-44.1	173.6	-68.3	171.4	0	0	0	110.7	C30 H57 T58 D59 E60 K64 H65 K66 P69	C30-I62 HydrophobicContact CB-CD1 3.83Å; C30-I62 HydrophobicContact CB-CG1 4.44Å; H57-I62 HydrophobicContact CB-CD1 4.26Å; H57-I62 HydrophobicContact CB-CG1 3.87Å; T58-I62 VanDerWaalsContact O-CG1 3.32Å; T58-I62 WeakPolarHBondContact O-CG1 3.34Å; T58-I62 PolarHBondContact O-N 2.78Å; T58-I62 VanDerWaalsContact O-N 3.14Å; D59-I62 PolarHBondContact O-N 3.32Å; E60-I62 VanDerWaalsContact C-N 3.35Å; E60-I62 PolarHBondContact O-N 3.25Å; I62-K64 PolarHBondContact O-N 2.95Å; I62-H65 PolarHBondContact O-N 3.22Å; I62-H65 VanDerWaalsContact O-N 3.1Å; I62-K66 HydrophobicContact CG2-CD 4.29Å; I62-K66 VanDerWaalsContact CG2-CE 3.43Å; I62-K66 HydrophobicContact CG2-CG 3.84Å; I62-K66 PolarHBondContact O-N 3.49Å; I62-P69 HydrophobicContact CD1-CB 4.22Å; I62-P69 HydrophobicContact CD1-CG 4.14Å; I62-P69 HydrophobicContact CG2-CB 4.4Å; I62-P69 HydrophobicContact CG2-CG 4.36Å
63	A	89.3	Confident	92.6	Very high	52 Å²	52	42.2 Å²	42.2	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-65.9	-21.2	-177.3	0	0	0	0	0	113.9	D59 E60 K66	D59-A63 WeakPolarHBondContact O-CB 3.43Å; D59-A63 PolarHBondContact O-N 2.67Å; E60-A63 PolarHBondContact O-N 3.05Å; A63-K66 CarbonylContact C-O 3.56Å; A63-K66 WeakPolarHBondContact CA-O 3.25Å; A63-K66 VanDerWaalsContact O-O 3.11Å
64	K	88	Confident	92.6	Very high	127 Å²	127	48 Å²	48	55%	0.552	25%	0.251	S	S	*	.	H	α-helix	trans	-70.3	-32.7	172.9	-69.3	170.3	-167.1	160.7	0	112.6	E60 E61 I62	E60-K64 PolarHBondContact O-N 3.3Å; E60-K64 VanDerWaalsContact OE1-CE 3.22Å; E60-K64 WeakPolarHBondContact OE1-CE 3.38Å; E60-K64 IonicContact OE1-NZ 3.95Å; E60-K64 PolarHBondContact OE1-NZ 3.05Å; E61-K64 PolarHBondContact O-N 2.88Å; E61-K64 IonicContact OE2-NZ 3.84Å; E61-K64 PolarHBondContact OE2-NZ 3.37Å; I62-K64 PolarHBondContact O-N 2.95Å
65	H	82.7	Confident	92.5	Very high	98 Å²	98	50 Å²	50	45%	0.454	26%	0.26	S	S	.	.	H	α-helix	trans	-101.1	-31.1	-172.1	-63.3	87.3	0	0	0	112.8	E61 I62 Y95	E61-H65 PolarHBondContact O-ND1 2.88Å; E61-H65 IonicContact OE1-CE1 3.31Å; E61-H65 PolarHBondContact OE1-CE1 2.97Å; I62-H65 PolarHBondContact O-N 3.22Å; I62-H65 VanDerWaalsContact O-N 3.1Å; H65-Y95 HydrophobicContact CB-CD1 4.26Å; H65-Y95 HydrophobicContact CB-CD2 4.36Å; H65-Y95 HydrophobicContact CB-CE1 3.76Å; H65-Y95 HydrophobicContact CB-CE2 3.87Å; H65-Y95 AromaticContact CD2-CD1 3.48Å; H65-Y95 VanDerWaalsContact CD2-CD1 3.48Å; H65-Y95 WeakPolarHBondContact CD2-CD1 3.41Å; H65-Y95 AromaticContact CD2-CE1 3.69Å; H65-Y95 AromaticContact CD2-CG 3.97Å; H65-Y95 AromaticContact CE1-CD1 3.84Å; H65-Y95 AromaticContact CE1-CG 3.55Å; H65-Y95 AromaticContact CG-CD1 3.6Å; H65-Y95 AromaticContact CG-CD2 3.96Å; H65-Y95 AromaticContact CG-CE1 3.61Å; H65-Y95 AromaticContact CG-CE2 3.97Å; H65-Y95 AromaticContact CG-CG 3.78Å; H65-Y95 AromaticContact CG-CZ 3.8Å; H65-Y95 AromaticContact ND1-CD1 3.83Å; H65-Y95 AromaticContact ND1-CD2 3.62Å; H65-Y95 AromaticContact ND1-CG 3.51Å; H65-Y95 AromaticContact NE2-CD1 3.65Å; H65-Y95 AromaticContact NE2-CG 3.85Å
66	K	80.9	Confident	92.5	Very high	100 Å²	100	50 Å²	50	44%	0.435	26%	0.26	S	S	.	.	S	Bend	trans	-149.4	-168.8	-179.1	61.3	174.9	-177.2	-179.8	0	111.4	C30 I62 A63	C30-K66 WeakPolarHBondContact SG-CE 3.29Å; C30-K66 PolarHBondContact SG-NZ 3.24Å; I62-K66 HydrophobicContact CG2-CD 4.29Å; I62-K66 VanDerWaalsContact CG2-CE 3.43Å; I62-K66 HydrophobicContact CG2-CG 3.84Å; I62-K66 PolarHBondContact O-N 3.49Å; A63-K66 CarbonylContact C-O 3.56Å; A63-K66 WeakPolarHBondContact CA-O 3.25Å; A63-K66 VanDerWaalsContact O-O 3.11Å
67	G	77.1	Confident	92.5	Very high	20 Å²	20	51 Å²	51	21%	0.206	26%	0.264	C	S	.	.	S	Bend	trans	-58.1	153.2	171.1	0	0	0	0	0	112.1
68	P	83.5	Confident	92.6	Very high	56 Å²	56	54.7 Å²	54.7	36%	0.364	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-59.7	146.3	176	29	-33.8	0	0	0	109.9
69	P	91.5	Very high	92.6	Very high	16 Å²	16	54.2 Å²	54.2	10%	0.104	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-66.5	155.3	179.1	29.9	-34.2	0	0	0	111.3	D32 D59 I62 N352	D32-P69 HydrophobicContact CB-CB 4.2Å; D32-P69 VanDerWaalsContact OD2-CA 3.27Å; D32-P69 WeakPolarHBondContact OD2-CA 3.32Å; D59-P69 HydrophobicContact CB-CG 4.17Å; D59-P69 VanDerWaalsContact OD1-CG 3.27Å; D59-P69 WeakPolarHBondContact OD1-CG 3.26Å; I62-P69 HydrophobicContact CD1-CB 4.22Å; I62-P69 HydrophobicContact CD1-CG 4.14Å; I62-P69 HydrophobicContact CG2-CB 4.4Å; I62-P69 HydrophobicContact CG2-CG 4.36Å; P69-N352 PolarHBondContact O-ND2 2.62Å
70	V	91.8	Very high	92.7	Very high	26 Å²	26	52 Å²	52	16%	0.158	26%	0.264	C	S	.	.	S	Bend	trans	-72.6	-40.7	174.9	177.7	0	0	0	0	110.7	D32 R348 I349 N352	D32-V70 VanDerWaalsContact CG-N 3.33Å; D32-V70 PolarHBondContact OD1-N 3.34Å; D32-V70 VanDerWaalsContact OD1-N 3.14Å; D32-V70 PolarHBondContact OD2-N 3.26Å; V70-R348 HydrophobicContact CG1-CB 3.95Å; V70-R348 PolarHBondContact O-NE 2.88Å; V70-R348 PolarHBondContact O-NH2 3.31Å; V70-I349 HydrophobicContact CB-CG1 4.44Å; V70-I349 HydrophobicContact CG1-CG1 3.68Å; V70-I349 HydrophobicContact CG2-CG1 4.02Å; V70-N352 WeakPolarHBondContact CA-ND2 3.45Å; V70-N352 HydrophobicContact CG2-CB 4.42Å
71	F	95.3	Very high	92.9	Very high	15 Å²	15	49 Å²	49	7%	0.066	25%	0.25	C	S	.	.	S	Bend	trans	-98.8	137	178.3	-64.9	-87.7	0	0	0	111.3	D32 M33 E75 R76 L340 I345	D32-F71 WeakPolarHBondContact OD1-CD2 3.13Å; D32-F71 PolarHBondContact OD1-N 3.31Å; M33-F71 HydrophobicContact CB-CD2 4.29Å; M33-F71 HydrophobicContact CB-CE2 3.83Å; M33-F71 HydrophobicContact CG-CE2 4.25Å; M33-F71 HydrophobicContact SD-CE2 3.57Å; M33-F71 VanDerWaalsContact SD-CE2 3.57Å; M33-F71 HydrophobicContact SD-CZ 3.83Å; F71-E75 HydrophobicContact CB-CB 4.16Å; F71-E75 HydrophobicContact CD1-CB 4.32Å; F71-R76 HydrophobicContact CB-CG 3.73Å; F71-R76 WeakPolarHBondContact O-CD 3.48Å; F71-R76 PolarHBondContact O-NE 3.19Å; F71-L340 HydrophobicContact CE1-CD2 4Å; F71-I345 HydrophobicContact CE1-CG1 4.26Å; F71-I345 HydrophobicContact CZ-CD1 4.09Å; F71-I345 HydrophobicContact CZ-CG1 3.91Å; F71-I345 HydrophobicContact CZ-CG2 3.98Å
72	T	97.4	Very high	93.1	Very high	66 Å²	66	47 Å²	47	41%	0.405	24%	0.242	S	C	.	.			trans	-61	156	173.2	62.5	0	0	0	0	110.1	E74 E75 R76	T72-E74 VanDerWaalsContact C-N 3.26Å; T72-E74 PolarHBondContact O-N 2.59Å; T72-E75 PolarHBondContact N-OE2 3.14Å; T72-E75 WeakPolarHBondContact O-CB 3.13Å; T72-E75 PolarHBondContact O-N 3.34Å; T72-E75 VanDerWaalsContact O-N 3.13Å; T72-E75 VanDerWaalsContact OG1-CG 3.28Å; T72-E75 WeakPolarHBondContact OG1-CG 3.21Å; T72-E75 PolarHBondContact OG1-N 2.92Å; T72-E75 PolarHBondContact OG1-OE2 2.88Å; T72-R76 WeakPolarHBondContact O-CG 3.44Å; T72-R76 PolarHBondContact O-N 2.89Å
73	Q	98.2	Very high	93.4	Very high	53 Å²	53	47.3 Å²	47.3	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-37.4	-178.8	65.5	-176.2	49.2	0	0	113.5	T58 D59 R76 Y77	T58-Q73 VanDerWaalsContact CA-OE1 3.31Å; D59-Q73 VanDerWaalsContact CG-N 3.34Å; D59-Q73 VanDerWaalsContact N-OE1 3.14Å; D59-Q73 PolarHBondContact OD1-N 2.78Å; D59-Q73 PolarHBondContact OD2-N 2.87Å; Q73-R76 VanDerWaalsContact CA-NH2 3.33Å; Q73-R76 VanDerWaalsContact CB-NH2 3.28Å; Q73-R76 PolarHBondContact O-N 3.37Å; Q73-Y77 HydrophobicContact CB-CE1 4.14Å; Q73-Y77 HydrophobicContact CB-CE2 3.96Å; Q73-Y77 HydrophobicContact CG-CE2 3.95Å; Q73-Y77 WeakPolarHBondContact O-CD1 3.3Å; Q73-Y77 VanDerWaalsContact O-CD2 3.3Å; Q73-Y77 WeakPolarHBondContact O-CD2 3.21Å; Q73-Y77 PolarHBondContact O-N 3.42Å
74	E	98.4	Very high	93.9	Very high	122 Å²	122	47.2 Å²	47.2	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-66.4	-39.1	177.5	-63	-55.3	135.9	0	0	112.3	T72 R76 Y77 K78	T72-E74 VanDerWaalsContact C-N 3.26Å; T72-E74 PolarHBondContact O-N 2.59Å; E74-R76 VanDerWaalsContact C-N 3.31Å; E74-R76 PolarHBondContact O-N 3.19Å; E74-Y77 PolarHBondContact O-N 3.14Å; E74-Y77 WeakPolarHBondContact OE1-CE2 3.48Å; E74-K78 WeakPolarHBondContact O-CB 3.26Å; E74-K78 PolarHBondContact O-N 2.76Å
75	E	98.4	Very high	94.4	Very high	40 Å²	40	43 Å²	43	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-41.4	172.6	-70.7	171.1	118.7	0	0	110.9	F71 T72 M79 I227 R348	F71-E75 HydrophobicContact CB-CB 4.16Å; F71-E75 HydrophobicContact CD1-CB 4.32Å; T72-E75 PolarHBondContact N-OE2 3.14Å; T72-E75 WeakPolarHBondContact O-CB 3.13Å; T72-E75 PolarHBondContact O-N 3.34Å; T72-E75 VanDerWaalsContact O-N 3.13Å; T72-E75 VanDerWaalsContact OG1-CG 3.28Å; T72-E75 WeakPolarHBondContact OG1-CG 3.21Å; T72-E75 PolarHBondContact OG1-N 2.92Å; T72-E75 PolarHBondContact OG1-OE2 2.88Å; E75-M79 VanDerWaalsContact O-CB 3.27Å; E75-M79 WeakPolarHBondContact O-CB 3.43Å; E75-M79 PolarHBondContact O-N 3.48Å; E75-I227 HydrophobicContact CG-CG2 4.49Å; E75-R348 IonicContact OE1-CZ 3.74Å; E75-R348 IonicContact OE1-NH1 3.92Å; E75-R348 PolarHBondContact OE1-NH1 3.45Å; E75-R348 IonicContact OE1-NH2 2.84Å; E75-R348 PolarHBondContact OE1-NH2 2.87Å; E75-R348 IonicContact OE2-CZ 3.36Å; E75-R348 IonicContact OE2-NH1 2.98Å; E75-R348 IonicContact OE2-NH2 2.7Å; E75-R348 PolarHBondContact OE2-NH2 2.95Å
76	R	98.6	Very high	95.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-68.5	-44.8	179.1	-64.6	-178.4	-64.7	102.5	-2.6	111.5	C30 V56 H57 D59 F71 T72 Q73 E74 K78 M79 V80	C30-R76 WeakPolarHBondContact O-CD 3.45Å; C30-R76 PolarHBondContact O-NH1 2.99Å; V56-R76 HydrophobicContact CG1-CB 4.19Å; V56-R76 VanDerWaalsContact CG1-NH1 3.26Å; H57-R76 PolarHBondContact O-NH1 3.38Å; H57-R76 PolarHBondContact O-NH2 3.38Å; D59-R76 IonicContact OD1-CZ 3.3Å; D59-R76 IonicContact OD1-NE 3.92Å; D59-R76 IonicContact OD1-NH2 3.72Å; D59-R76 PolarHBondContact OD1-NH2 3.02Å; F71-R76 HydrophobicContact CB-CG 3.73Å; F71-R76 WeakPolarHBondContact O-CD 3.48Å; F71-R76 PolarHBondContact O-NE 3.19Å; T72-R76 WeakPolarHBondContact O-CG 3.44Å; T72-R76 PolarHBondContact O-N 2.89Å; Q73-R76 VanDerWaalsContact CA-NH2 3.33Å; Q73-R76 VanDerWaalsContact CB-NH2 3.28Å; Q73-R76 PolarHBondContact O-N 3.37Å; E74-R76 VanDerWaalsContact C-N 3.31Å; E74-R76 PolarHBondContact O-N 3.19Å; R76-K78 PolarHBondContact O-N 3.37Å; R76-M79 PolarHBondContact O-N 3.5Å; R76-V80 WeakPolarHBondContact O-CG2 3.26Å; R76-V80 PolarHBondContact O-N 2.87Å
77	Y	98.8	Very high	96	Very high	19 Å²	19	36 Å²	36	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-56.7	-50.1	176.1	-59.8	-21.4	0	0	0	111	V56 Q73 E74 M79 V80 Q81 V89 P91 A92	V56-Y77 HydrophobicContact CB-CD1 3.54Å; V56-Y77 HydrophobicContact CB-CE1 3.53Å; V56-Y77 HydrophobicContact CG1-CD1 3.55Å; V56-Y77 HydrophobicContact CG1-CE1 3.53Å; V56-Y77 HydrophobicContact CG2-CD1 4.22Å; V56-Y77 WeakPolarHBondContact O-CE1 3.48Å; Q73-Y77 HydrophobicContact CB-CE1 4.14Å; Q73-Y77 HydrophobicContact CB-CE2 3.96Å; Q73-Y77 HydrophobicContact CG-CE2 3.95Å; Q73-Y77 WeakPolarHBondContact O-CD1 3.3Å; Q73-Y77 VanDerWaalsContact O-CD2 3.3Å; Q73-Y77 WeakPolarHBondContact O-CD2 3.21Å; Q73-Y77 PolarHBondContact O-N 3.42Å; E74-Y77 PolarHBondContact O-N 3.14Å; E74-Y77 WeakPolarHBondContact OE1-CE2 3.48Å; Y77-M79 PolarHBondContact O-N 2.85Å; Y77-V80 PolarHBondContact O-N 3.43Å; Y77-Q81 WeakPolarHBondContact O-CB 3.41Å; Y77-Q81 PolarHBondContact O-N 2.89Å; Y77-V89 HydrophobicContact CD1-CG1 4.23Å; Y77-V89 HydrophobicContact CG-CG1 4.42Å; Y77-P91 HydrophobicContact CD1-CB 4.47Å; Y77-P91 HydrophobicContact CD2-CB 4Å; Y77-P91 HydrophobicContact CE1-CB 4.02Å; Y77-P91 HydrophobicContact CE2-CB 3.48Å; Y77-P91 VanDerWaalsContact CE2-CB 3.48Å; Y77-P91 HydrophobicContact CG-CB 4.47Å; Y77-P91 VanDerWaalsContact CZ-CB 3.49Å; Y77-A92 PolarHBondContact OH-N 3.42Å
78	K	98.8	Very high	97	Very high	83 Å²	83	38.5 Å²	38.5	36%	0.361	19%	0.191	S	C	.	.	H	α-helix	trans	-65.7	-38.9	-178.6	-161.3	-176.9	-177.7	-179.4	0	112	E74 R76 Q81 A82 I227 D231	E74-K78 WeakPolarHBondContact O-CB 3.26Å; E74-K78 PolarHBondContact O-N 2.76Å; R76-K78 PolarHBondContact O-N 3.37Å; K78-Q81 PolarHBondContact O-N 3.12Å; K78-A82 PolarHBondContact O-N 3.38Å; K78-A82 VanDerWaalsContact O-N 3.1Å; K78-I227 HydrophobicContact CB-CD1 3.57Å; K78-I227 HydrophobicContact CB-CG1 4.35Å; K78-I227 HydrophobicContact CD-CD1 3.72Å; K78-I227 HydrophobicContact CD-CG1 3.92Å; K78-I227 HydrophobicContact CG-CD1 3.6Å; K78-I227 HydrophobicContact CG-CG1 4.35Å; K78-D231 WeakPolarHBondContact CE-OD1 3.22Å; K78-D231 IonicContact NZ-OD1 2.72Å; K78-D231 PolarHBondContact NZ-OD1 3.11Å; K78-D231 IonicContact NZ-OD2 2.99Å; K78-D231 PolarHBondContact NZ-OD2 3.29Å; K78-D231 VanDerWaalsContact NZ-OD2 3.1Å
79	M	98.6	Very high	97.7	Very high	18 Å²	18	36.9 Å²	36.9	9%	0.089	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-42.6	179	-171.7	65	-167	0	0	111.8	V34 E75 R76 Y77 A82 F225 I227 V230	V34-M79 HydrophobicContact CB-CE 4.15Å; V34-M79 HydrophobicContact CB-CG 3.71Å; V34-M79 HydrophobicContact CG1-CE 4.09Å; V34-M79 HydrophobicContact CG1-CG 4.22Å; V34-M79 HydrophobicContact CG2-CB 4.32Å; V34-M79 HydrophobicContact CG2-CG 3.66Å; E75-M79 VanDerWaalsContact O-CB 3.27Å; E75-M79 WeakPolarHBondContact O-CB 3.43Å; E75-M79 PolarHBondContact O-N 3.48Å; R76-M79 PolarHBondContact O-N 3.5Å; Y77-M79 PolarHBondContact O-N 2.85Å; M79-A82 WeakPolarHBondContact O-CB 3.34Å; M79-A82 PolarHBondContact O-N 3.26Å; M79-F225 HydrophobicContact CE-CD1 3.74Å; M79-F225 HydrophobicContact CE-CE1 4.1Å; M79-F225 WeakPolarHBondContact CE-O 3.44Å; M79-I227 HydrophobicContact CB-CD1 4.12Å; M79-I227 HydrophobicContact SD-CD1 4.41Å; M79-V230 HydrophobicContact CE-CG2 4.47Å; M79-V230 HydrophobicContact SD-CG2 3.78Å
80	V	98.8	Very high	98.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.6	-44	176.6	175.1	0	0	0	0	110.8	Y31 V54 V56 R76 Y77 A82 I83 V86 V89	Y31-V80 VanDerWaalsContact CB-CG2 3.41Å; Y31-V80 HydrophobicContact CD1-CG2 3.98Å; Y31-V80 HydrophobicContact CD2-CG2 3.89Å; Y31-V80 HydrophobicContact CG-CG2 3.48Å; Y31-V80 VanDerWaalsContact CG-CG2 3.48Å; V54-V80 HydrophobicContact CB-CG1 3.82Å; V54-V80 HydrophobicContact CG1-CG1 3.67Å; V54-V80 HydrophobicContact CG2-CG1 4.22Å; V56-V80 HydrophobicContact CG2-CB 4.39Å; V56-V80 HydrophobicContact CG2-CG1 4.39Å; V56-V80 HydrophobicContact CG2-CG2 4.12Å; R76-V80 WeakPolarHBondContact O-CG2 3.26Å; R76-V80 PolarHBondContact O-N 2.87Å; Y77-V80 PolarHBondContact O-N 3.43Å; V80-A82 PolarHBondContact O-N 3.49Å; V80-I83 WeakPolarHBondContact O-CB 3.48Å; V80-I83 PolarHBondContact O-N 3.25Å; V80-I83 VanDerWaalsContact O-N 3.07Å; V80-V86 HydrophobicContact CG1-CG1 4.3Å; V80-V86 HydrophobicContact CG1-CG2 4.16Å; V80-V89 HydrophobicContact CB-CG2 3.94Å; V80-V89 HydrophobicContact CG1-CG2 3.61Å
81	Q	98.8	Very high	98.4	Very high	70 Å²	70	38.6 Å²	38.6	33%	0.327	19%	0.191	S	C	.	.	H	α-helix	trans	-61.7	-27.9	177.8	-171.2	62.7	20.7	0	0	112.4	Y77 K78 I83 D87 V89 R279	Y77-Q81 WeakPolarHBondContact O-CB 3.41Å; Y77-Q81 PolarHBondContact O-N 2.89Å; K78-Q81 PolarHBondContact O-N 3.12Å; Q81-I83 PolarHBondContact O-N 3Å; Q81-D87 PolarHBondContact NE2-O 3.3Å; Q81-V89 HydrophobicContact CB-CG2 3.98Å; Q81-R279 VanDerWaalsContact O-CZ 3.25Å; Q81-R279 PolarHBondContact O-NE 2.99Å; Q81-R279 PolarHBondContact O-NH2 3.45Å
82	A	98.8	Very high	98.5	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.041	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.8	177.9	0	0	0	0	0	114.1	K78 M79 V80 V230 R279	K78-A82 PolarHBondContact O-N 3.38Å; K78-A82 VanDerWaalsContact O-N 3.1Å; M79-A82 WeakPolarHBondContact O-CB 3.34Å; M79-A82 PolarHBondContact O-N 3.26Å; V80-A82 PolarHBondContact O-N 3.49Å; A82-V230 HydrophobicContact CB-CB 4.3Å; A82-V230 HydrophobicContact CB-CG1 3.46Å; A82-V230 VanDerWaalsContact CB-CG1 3.46Å; A82-V230 HydrophobicContact CB-CG2 3.79Å; A82-R279 PolarHBondContact O-N 3.07Å
83	I	98.8	Very high	98.6	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-76.5	126.9	178.4	-58.9	172	0	0	0	109.1	V34 L42 V80 Q81 W85 V86 A277 R279	V34-I83 HydrophobicContact CG1-CD1 4Å; L42-I83 HydrophobicContact CD1-CD1 3.55Å; L42-I83 HydrophobicContact CD1-CG2 4.36Å; V80-I83 WeakPolarHBondContact O-CB 3.48Å; V80-I83 PolarHBondContact O-N 3.25Å; V80-I83 VanDerWaalsContact O-N 3.07Å; Q81-I83 PolarHBondContact O-N 3Å; I83-W85 HydrophobicContact CG2-CE3 3.71Å; I83-W85 HydrophobicContact CG2-CZ3 4.33Å; I83-W85 PolarHBondContact O-N 3.44Å; I83-W85 VanDerWaalsContact O-N 3.12Å; I83-V86 HydrophobicContact CB-CG2 4.04Å; I83-V86 HydrophobicContact CG2-CG2 4.32Å; I83-V86 WeakPolarHBondContact O-CB 3.4Å; I83-V86 PolarHBondContact O-N 3.26Å; I83-A277 WeakPolarHBondContact CA-O 3.46Å; I83-R279 PolarHBondContact O-NH2 3.03Å
84	K	98.6	Very high	98.5	Very high	51 Å²	51	38.4 Å²	38.4	22%	0.222	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.4	-168.7	72.5	-172	-179.8	-172.3	0	116.7	F203 L276 A277 R279	K84-F203 WeakPolarHBondContact CE-O 3.06Å; K84-F203 PolarHBondContact NZ-O 2.87Å; K84-L276 WeakPolarHBondContact CE-O 3.35Å; K84-L276 PolarHBondContact NZ-O 3.31Å; K84-A277 PolarHBondContact N-O 2.99Å; K84-R279 HydrophobicContact CB-CB 3.82Å
85	W	98.8	Very high	98.2	Very high	38 Å²	38	35.6 Å²	35.6	14%	0.144	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.3	176.6	-60.3	-67.7	0	0	0	113.3	S39 R43 R46 L52 I83 F203 A277	S39-W85 WeakPolarHBondContact O-CZ3 3.42Å; R43-W85 HydrophobicContact CB-CD2 3.57Å; R43-W85 HydrophobicContact CB-CE3 3.67Å; R43-W85 HydrophobicContact CB-CG 4.14Å; R43-W85 HydrophobicContact CB-CH2 3.99Å; R43-W85 HydrophobicContact CB-CZ2 3.9Å; R43-W85 HydrophobicContact CB-CZ3 3.88Å; R43-W85 HydrophobicContact CG-CD2 3.86Å; R43-W85 VanDerWaalsContact CG-CE2 3.43Å; R43-W85 HydrophobicContact CG-CE3 4.36Å; R43-W85 HydrophobicContact CG-CG 4.35Å; R43-W85 HydrophobicContact CG-CH2 4.1Å; R43-W85 HydrophobicContact CG-CZ2 3.56Å; R43-W85 HydrophobicContact CG-CZ3 4.46Å; R46-W85 HydrophobicContact CB-CB 3.87Å; R46-W85 HydrophobicContact CB-CG 4.49Å; R46-W85 WeakPolarHBondContact CD-O 3.42Å; R46-W85 HydrophobicContact CG-CB 4.09Å; R46-W85 WeakPolarHBondContact CG-O 3.42Å; L52-W85 WeakPolarHBondContact CB-O 3.43Å; I83-W85 HydrophobicContact CG2-CE3 3.71Å; I83-W85 HydrophobicContact CG2-CZ3 4.33Å; I83-W85 PolarHBondContact O-N 3.44Å; I83-W85 VanDerWaalsContact O-N 3.12Å; W85-F203 AromaticContact CH2-CD1 3.64Å; W85-F203 HydrophobicContact CH2-CD1 3.64Å; W85-F203 HydrophobicContact CH2-CD2 4.29Å; W85-F203 AromaticContact CH2-CE1 3.84Å; W85-F203 HydrophobicContact CH2-CE1 3.84Å; W85-F203 HydrophobicContact CH2-CE2 4.45Å; W85-F203 AromaticContact CH2-CG 3.9Å; W85-F203 HydrophobicContact CH2-CG 3.9Å; W85-F203 HydrophobicContact CH2-CZ 4.25Å; W85-F203 HydrophobicContact CZ3-CD1 4.29Å; W85-F203 HydrophobicContact CZ3-CE1 4.08Å; W85-F203 HydrophobicContact CZ3-CZ 4.49Å; W85-A277 HydrophobicContact CH2-CB 4.49Å; W85-A277 HydrophobicContact CZ3-CB 4Å
86	V	98.8	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.			trans	-85.9	126.8	178.1	178.4	0	0	0	0	108.3	L42 L52 V54 V80 I83 V89 R279	L42-V86 HydrophobicContact CD1-CG2 3.79Å; L42-V86 HydrophobicContact CD2-CG2 4.47Å; L42-V86 HydrophobicContact CG-CG2 4.49Å; L52-V86 HydrophobicContact CD2-CG2 4.4Å; V54-V86 HydrophobicContact CB-CG1 4.29Å; V54-V86 HydrophobicContact CG2-CB 4.36Å; V54-V86 HydrophobicContact CG2-CG1 3.81Å; V54-V86 HydrophobicContact CG2-CG2 3.74Å; V80-V86 HydrophobicContact CG1-CG1 4.3Å; V80-V86 HydrophobicContact CG1-CG2 4.16Å; I83-V86 HydrophobicContact CB-CG2 4.04Å; I83-V86 HydrophobicContact CG2-CG2 4.32Å; I83-V86 WeakPolarHBondContact O-CB 3.4Å; I83-V86 PolarHBondContact O-N 3.26Å; V86-V89 HydrophobicContact CG1-CG2 4.08Å; V86-R279 PolarHBondContact O-NH2 3.3Å
87	D	98.8	Very high	98	Very high	52 Å²	52	36.2 Å²	36.2	28%	0.278	19%	0.194	S	C	.	.			trans	-91.2	-41.6	176.3	-61.6	-68.1	0	0	0	110.5	R46 Y51 L52 Q81	R46-D87 IonicContact NE-OD2 2.75Å; R46-D87 PolarHBondContact NE-OD2 3Å; Y51-D87 WeakPolarHBondContact CA-OD2 3.44Å; Y51-D87 HydrophobicContact CD1-CB 3.95Å; Y51-D87 HydrophobicContact CD2-CB 3.7Å; Y51-D87 HydrophobicContact CE1-CB 3.62Å; Y51-D87 HydrophobicContact CE2-CB 3.36Å; Y51-D87 HydrophobicContact CG-CB 4Å; L52-D87 PolarHBondContact N-OD2 2.93Å; L52-D87 WeakPolarHBondContact O-CB 3.48Å; L52-D87 PolarHBondContact O-N 3.36Å; Q81-D87 PolarHBondContact NE2-O 3.3Å
88	E	98.2	Very high	97.9	Very high	71 Å²	71	37.1 Å²	37.1	33%	0.332	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.9	-177.3	-175.5	-179.1	147.4	0	0	112.4	Y51 L52 I53 V54	Y51-E88 HydrophobicContact CE1-CB 4.19Å; L52-E88 PolarHBondContact O-N 2.9Å; I53-E88 WeakPolarHBondContact CA-O 3.34Å; V54-E88 PolarHBondContact N-O 3Å
89	V	98.8	Very high	97.9	Very high	23 Å²	23	34.8 Å²	34.8	14%	0.139	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.1	169	169.1	0	0	0	0	110.1	V54 V56 Y77 V80 Q81 V86 P91	V54-V89 CarbonylContact O-C 3.5Å; V54-V89 WeakPolarHBondContact O-CA 3.45Å; V56-V89 HydrophobicContact CG2-CG1 3.95Å; Y77-V89 HydrophobicContact CD1-CG1 4.23Å; Y77-V89 HydrophobicContact CG-CG1 4.42Å; V80-V89 HydrophobicContact CB-CG2 3.94Å; V80-V89 HydrophobicContact CG1-CG2 3.61Å; Q81-V89 HydrophobicContact CB-CG2 3.98Å; V86-V89 HydrophobicContact CG1-CG2 4.08Å; V89-P91 WeakPolarHBondContact O-CD 3.47Å
90	V	98.8	Very high	97.9	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.9	171.3	170.6	0	0	0	0	108.9	W26 I53 V54 G55 V56 Y105	W26-V90 HydrophobicContact CH2-CB 3.94Å; W26-V90 HydrophobicContact CH2-CG1 4.02Å; W26-V90 HydrophobicContact CH2-CG2 4.27Å; W26-V90 HydrophobicContact CZ3-CB 4.14Å; W26-V90 HydrophobicContact CZ3-CG2 3.97Å; I53-V90 HydrophobicContact CG2-CB 4.47Å; I53-V90 HydrophobicContact CG2-CG2 3.53Å; V54-V90 PolarHBondContact O-N 3.23Å; G55-V90 WeakPolarHBondContact CA-O 3.27Å; V56-V90 PolarHBondContact N-O 3.09Å; V90-Y105 HydrophobicContact CG1-CE1 4.05Å; V90-Y105 HydrophobicContact CG1-CE2 3.84Å; V90-Y105 VanDerWaalsContact CG1-CZ 3.42Å; V90-Y105 WeakPolarHBondContact CG1-OH 2.99Å; V90-Y105 HydrophobicContact CG2-CD1 3.98Å; V90-Y105 HydrophobicContact CG2-CE1 3.64Å; V90-Y105 HydrophobicContact CG2-CE2 4.35Å; V90-Y105 HydrophobicContact CG2-CG 4.5Å
91	P	98.5	Very high	97.9	Very high	73 Å²	73	41.6 Å²	41.6	47%	0.474	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	159.4	175.7	31.9	-35.5	0	0	0	110.9	Y77 V89 A93	Y77-P91 HydrophobicContact CD1-CB 4.47Å; Y77-P91 HydrophobicContact CD2-CB 4Å; Y77-P91 HydrophobicContact CE1-CB 4.02Å; Y77-P91 HydrophobicContact CE2-CB 3.48Å; Y77-P91 VanDerWaalsContact CE2-CB 3.48Å; Y77-P91 HydrophobicContact CG-CB 4.47Å; Y77-P91 VanDerWaalsContact CZ-CB 3.49Å; V89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-A93 PolarHBondContact O-N 2.86Å
92	A	98.1	Very high	97.8	Very high	62 Å²	62	38.2 Å²	38.2	51%	0.512	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	38.6	179.1	0	0	0	0	0	114.4	V56 T58 Y77	V56-A92 PolarHBondContact O-N 2.89Å; T58-A92 HydrophobicContact CG2-CB 3.49Å; T58-A92 VanDerWaalsContact CG2-CB 3.49Å; Y77-A92 PolarHBondContact OH-N 3.42Å
93	A	97.9	Very high	97.8	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	23%	0.232	C	C	.	.			trans	-65.1	140.9	172.2	0	0	0	0	0	110.8	W26 G55 V56 H57 P91	W26-A93 HydrophobicContact CH2-CB 4.36Å; W26-A93 HydrophobicContact CZ2-CB 4.1Å; G55-A93 VanDerWaalsContact CA-CB 3.46Å; V56-A93 PolarHBondContact O-N 3.38Å; H57-A93 PolarHBondContact ND1-O 3.27Å; H57-A93 VanDerWaalsContact ND1-O 3.14Å; P91-A93 PolarHBondContact O-N 2.86Å
94	P	96.2	Very high	97.8	Very high	64 Å²	64	49.5 Å²	49.5	42%	0.416	26%	0.262	S	S	.	.			trans	-53.3	154.1	173.1	-24.2	33.9	0	0	0	112.1	H57 V96	H57-P94 PolarHBondContact CE1-O 3.49Å; H57-P94 PolarHBondContact ND1-O 2.96Å; P94-V96 VanDerWaalsContact C-N 3.29Å; P94-V96 PolarHBondContact O-N 3.46Å
95	Y	93.3	Very high	97.8	Very high	63 Å²	63	49.7 Å²	49.7	25%	0.247	26%	0.262	C	S	.	.	S	Bend	trans	-67.8	-29.5	-178.9	-161.7	-99.3	0	0	0	113.4	H57 E61 H65	H57-Y95 AromaticContact CD2-CD2 3.91Å; E61-Y95 HydrophobicContact CG-CD2 4.44Å; H65-Y95 HydrophobicContact CB-CD1 4.26Å; H65-Y95 HydrophobicContact CB-CD2 4.36Å; H65-Y95 HydrophobicContact CB-CE1 3.76Å; H65-Y95 HydrophobicContact CB-CE2 3.87Å; H65-Y95 AromaticContact CD2-CD1 3.48Å; H65-Y95 VanDerWaalsContact CD2-CD1 3.48Å; H65-Y95 WeakPolarHBondContact CD2-CD1 3.41Å; H65-Y95 AromaticContact CD2-CE1 3.69Å; H65-Y95 AromaticContact CD2-CG 3.97Å; H65-Y95 AromaticContact CE1-CD1 3.84Å; H65-Y95 AromaticContact CE1-CG 3.55Å; H65-Y95 AromaticContact CG-CD1 3.6Å; H65-Y95 AromaticContact CG-CD2 3.96Å; H65-Y95 AromaticContact CG-CE1 3.61Å; H65-Y95 AromaticContact CG-CE2 3.97Å; H65-Y95 AromaticContact CG-CG 3.78Å; H65-Y95 AromaticContact CG-CZ 3.8Å; H65-Y95 AromaticContact ND1-CD1 3.83Å; H65-Y95 AromaticContact ND1-CD2 3.62Å; H65-Y95 AromaticContact ND1-CG 3.51Å; H65-Y95 AromaticContact NE2-CD1 3.65Å; H65-Y95 AromaticContact NE2-CG 3.85Å
96	V	94.6	Very high	97.8	Very high	50 Å²	50	51.4 Å²	51.4	30%	0.303	27%	0.273	S	S	.	.	S	Bend	trans	-116	131.2	178.5	178.8	0	0	0	0	109.2	P94 T98 T125 Y126	P94-V96 VanDerWaalsContact C-N 3.29Å; P94-V96 PolarHBondContact O-N 3.46Å; V96-T98 PolarHBondContact O-N 2.89Å; V96-T125 HydrophobicContact CB-CG2 4.43Å; V96-T125 HydrophobicContact CG1-CG2 3.81Å; V96-T125 WeakPolarHBondContact CG1-O 3.47Å; V96-T125 HydrophobicContact CG2-CG2 3.73Å; V96-Y126 HydrophobicContact CG1-CD1 4.43Å; V96-Y126 HydrophobicContact CG1-CE1 4.34Å
97	T	96.9	Very high	97.7	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.025	27%	0.274	C	S	.	.			trans	-64.1	129.5	173.6	-38.9	0	0	0	0	110.9	D28 L102 C110 H112 Y126	D28-T97 PolarHBondContact OD2-OG1 2.83Å; T97-L102 HydrophobicContact CG2-CD2 3.99Å; T97-L102 HydrophobicContact CG2-CG 4.23Å; T97-C110 HydrophobicContact CG2-CB 3.89Å; T97-H112 PolarHBondContact OG1-NE2 3.25Å; T97-Y126 WeakPolarHBondContact OG1-CE1 3.37Å
98	T	97.7	Very high	97.7	Very high	38 Å²	38	50.7 Å²	50.7	23%	0.233	27%	0.27	C	S	.	.			trans	-122.7	159.7	176.5	61.9	0	0	0	0	111.2	V96 E100 T101 L102	V96-T98 PolarHBondContact O-N 2.89Å; T98-E100 PolarHBondContact O-N 3.12Å; T98-T101 PolarHBondContact O-N 3.42Å; T98-T101 VanDerWaalsContact O-N 3.16Å; T98-T101 PolarHBondContact OG1-N 2.97Å; T98-T101 PolarHBondContact OG1-OG1 3.39Å; T98-L102 PolarHBondContact O-N 3.06Å; T98-L102 VanDerWaalsContact O-N 3.14Å
99	L	98.3	Very high	97.8	Very high	34 Å²	34	48.3 Å²	48.3	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-38.1	172.1	-66.2	179.8	0	0	0	111.9	T101 L102 D103 E128 V129 A132	L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 3.33Å; L99-L102 HydrophobicContact CD2-CD1 4.43Å; L99-L102 PolarHBondContact O-N 3.2Å; L99-L102 VanDerWaalsContact O-N 3.14Å; L99-D103 WeakPolarHBondContact O-CB 3.29Å; L99-D103 VanDerWaalsContact O-CG 3.24Å; L99-D103 PolarHBondContact O-N 3.21Å; L99-E128 HydrophobicContact CD1-CG 3.74Å; L99-E128 HydrophobicContact CG-CG 3.9Å; L99-E128 PolarHBondContact N-OE2 2.96Å; L99-V129 HydrophobicContact CD2-CB 4.49Å; L99-V129 HydrophobicContact CD2-CG1 4.44Å; L99-V129 HydrophobicContact CD2-CG2 4.27Å; L99-V129 HydrophobicContact CG-CG2 4.49Å; L99-A132 HydrophobicContact CD1-CB 3.94Å; L99-A132 HydrophobicContact CD2-CB 3.74Å; L99-A132 HydrophobicContact CG-CB 4.46Å
100	E	98.3	Very high	97.7	Very high	151 Å²	151	47.2 Å²	47.2	71%	0.706	25%	0.252	S	S	*	.	H	α-helix	trans	-54.9	-44.4	174.3	-174.9	-169.8	168.5	0	0	111.9	T98 D103 K104	T98-E100 PolarHBondContact O-N 3.12Å; E100-D103 PolarHBondContact O-N 3.28Å; E100-K104 WeakPolarHBondContact O-CB 3.39Å; E100-K104 PolarHBondContact O-N 3.21Å
101	T	98.3	Very high	97.7	Very high	10 Å²	10	47 Å²	47	6%	0.061	25%	0.25	C	S	.	.	H	α-helix	trans	-66	-43.8	178.3	-58.4	0	0	0	0	111	W26 T98 L99 D103 K104 Y105	W26-T101 HydrophobicContact CH2-CG2 3.91Å; W26-T101 HydrophobicContact CZ2-CG2 3.61Å; W26-T101 HydrophobicContact CZ3-CG2 4.49Å; T98-T101 PolarHBondContact O-N 3.42Å; T98-T101 VanDerWaalsContact O-N 3.16Å; T98-T101 PolarHBondContact OG1-N 2.97Å; T98-T101 PolarHBondContact OG1-OG1 3.39Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 3.33Å; T101-D103 PolarHBondContact O-N 3.37Å; T101-K104 PolarHBondContact O-N 3.33Å; T101-Y105 HydrophobicContact CG2-CD2 4.08Å; T101-Y105 HydrophobicContact CG2-CE2 4.17Å; T101-Y105 VanDerWaalsContact O-CD2 3.29Å; T101-Y105 WeakPolarHBondContact O-CD2 3.49Å; T101-Y105 PolarHBondContact O-N 2.99Å
102	L	98.5	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-43.4	178.3	-62.1	-177.4	0	0	0	111.5	W26 T97 T98 L99 Y105 N106 C107 C110 V129 R134	W26-L102 HydrophobicContact CB-CD2 3.47Å; W26-L102 VanDerWaalsContact CB-CD2 3.47Å; W26-L102 HydrophobicContact CD2-CD2 4.45Å; W26-L102 HydrophobicContact CG-CD2 3.62Å; T97-L102 HydrophobicContact CG2-CD2 3.99Å; T97-L102 HydrophobicContact CG2-CG 4.23Å; T98-L102 PolarHBondContact O-N 3.06Å; T98-L102 VanDerWaalsContact O-N 3.14Å; L99-L102 HydrophobicContact CD2-CD1 4.43Å; L99-L102 PolarHBondContact O-N 3.2Å; L99-L102 VanDerWaalsContact O-N 3.14Å; L102-Y105 PolarHBondContact O-N 3.45Å; L102-N106 PolarHBondContact O-N 2.7Å; L102-N106 VanDerWaalsContact O-N 3.07Å; L102-C107 HydrophobicContact CB-CB 4.48Å; L102-C107 HydrophobicContact CD2-CB 4.07Å; L102-C107 PolarHBondContact O-N 3.45Å; L102-C110 HydrophobicContact CD2-CB 4.12Å; L102-V129 HydrophobicContact CD1-CG1 3.82Å; L102-R134 VanDerWaalsContact CB-NH2 3.29Å; L102-R134 HydrophobicContact CD1-CB 4.18Å
103	D	98.3	Very high	96.9	Very high	96 Å²	96	42.3 Å²	42.3	51%	0.513	22%	0.218	S	C	.	.	H	α-helix	trans	-67.3	-42.1	179	-66.4	-19	0	0	0	111.5	L99 E100 T101 Y105 N106 R134	L99-D103 WeakPolarHBondContact O-CB 3.29Å; L99-D103 VanDerWaalsContact O-CG 3.24Å; L99-D103 PolarHBondContact O-N 3.21Å; E100-D103 PolarHBondContact O-N 3.28Å; T101-D103 PolarHBondContact O-N 3.37Å; D103-Y105 PolarHBondContact O-N 3.35Å; D103-N106 PolarHBondContact O-N 3.4Å; D103-R134 IonicContact OD1-CZ 2.76Å; D103-R134 IonicContact OD1-NH1 3.74Å; D103-R134 PolarHBondContact OD1-NH1 3.07Å; D103-R134 IonicContact OD1-NH2 2.78Å; D103-R134 PolarHBondContact OD1-NH2 3.1Å; D103-R134 IonicContact OD2-NH1 2.78Å
104	K	98.6	Very high	96.1	Very high	151 Å²	151	46.5 Å²	46.5	66%	0.657	24%	0.24	S	C	*	.	H	α-helix	trans	-55.3	-38.3	176.9	178.7	179	177.6	-179.6	0	112.9	E100 T101	E100-K104 WeakPolarHBondContact O-CB 3.39Å; E100-K104 PolarHBondContact O-N 3.21Å; T101-K104 PolarHBondContact O-N 3.33Å
105	Y	98.1	Very high	95.3	Very high	55 Å²	55	47.7 Å²	47.7	22%	0.216	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	8.4	180	-64.2	-70.3	0	0	0	113.9	R24 W26 V90 T101 L102 D103 C107	R24-Y105 PolarHBondContact NE-O 3.23Å; R24-Y105 PolarHBondContact NH2-O 3.08Å; W26-Y105 HydrophobicContact CE3-CD2 4.19Å; W26-Y105 AromaticContact CH2-CD2 3.86Å; W26-Y105 HydrophobicContact CH2-CD2 3.86Å; W26-Y105 AromaticContact CH2-CE2 3.92Å; W26-Y105 HydrophobicContact CH2-CE2 3.92Å; W26-Y105 AromaticContact CZ3-CD2 3.44Å; W26-Y105 HydrophobicContact CZ3-CD2 3.44Å; W26-Y105 VanDerWaalsContact CZ3-CD2 3.44Å; W26-Y105 AromaticContact CZ3-CE2 3.93Å; W26-Y105 HydrophobicContact CZ3-CE2 3.93Å; W26-Y105 AromaticContact CZ3-CG 3.9Å; W26-Y105 HydrophobicContact CZ3-CG 3.9Å; V90-Y105 HydrophobicContact CG1-CE1 4.05Å; V90-Y105 HydrophobicContact CG1-CE2 3.84Å; V90-Y105 VanDerWaalsContact CG1-CZ 3.42Å; V90-Y105 WeakPolarHBondContact CG1-OH 2.99Å; V90-Y105 HydrophobicContact CG2-CD1 3.98Å; V90-Y105 HydrophobicContact CG2-CE1 3.64Å; V90-Y105 HydrophobicContact CG2-CE2 4.35Å; V90-Y105 HydrophobicContact CG2-CG 4.5Å; T101-Y105 HydrophobicContact CG2-CD2 4.08Å; T101-Y105 HydrophobicContact CG2-CE2 4.17Å; T101-Y105 VanDerWaalsContact O-CD2 3.29Å; T101-Y105 WeakPolarHBondContact O-CD2 3.49Å; T101-Y105 PolarHBondContact O-N 2.99Å; L102-Y105 PolarHBondContact O-N 3.45Å; D103-Y105 PolarHBondContact O-N 3.35Å; Y105-C107 VanDerWaalsContact C-N 3.28Å; Y105-C107 PolarHBondContact O-N 3.18Å
106	N	98.1	Very high	94.3	Very high	73 Å²	73	52 Å²	52	39%	0.39	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	45	-176.6	-171.5	32.4	0	0	0	112.1	E13 R24 L102 D103	E13-N106 PolarHBondContact OE1-ND2 3.34Å; R24-N106 VanDerWaalsContact CB-O 3.26Å; R24-N106 WeakPolarHBondContact CB-O 3.37Å; R24-N106 WeakPolarHBondContact CD-O 3.32Å; R24-N106 PolarHBondContact NE-O 2.99Å; L102-N106 PolarHBondContact O-N 2.7Å; L102-N106 VanDerWaalsContact O-N 3.07Å; D103-N106 PolarHBondContact O-N 3.4Å
107	C	98.5	Very high	93.4	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	27%	0.265	C	S	.	.			trans	-93.2	131.8	176.3	-74.5	0	0	0	0	110.9	R24 W26 I53 L102 Y105 R134	R24-C107 CarbonylContact O-C 3.59Å; R24-C107 WeakPolarHBondContact O-CA 3.47Å; W26-C107 HydrophobicContact CB-CB 3.87Å; I53-C107 WeakPolarHBondContact CD1-SG 3.27Å; L102-C107 HydrophobicContact CB-CB 4.48Å; L102-C107 HydrophobicContact CD2-CB 4.07Å; L102-C107 PolarHBondContact O-N 3.45Å; Y105-C107 VanDerWaalsContact C-N 3.28Å; Y105-C107 PolarHBondContact O-N 3.18Å; C107-R134 PolarHBondContact O-NH2 3.31Å
108	D	98.6	Very high	92.4	Very high	36 Å²	36	55.9 Å²	55.9	19%	0.193	29%	0.288	C	S	.	.	S	Bend	trans	-63.6	-45.5	178.6	-68.6	-107.9	0	0	0	111.8	R21 V23 R24 R134	R21-D108 IonicContact CZ-OD1 3.63Å; R21-D108 IonicContact NH1-OD1 3.94Å; R21-D108 IonicContact NH1-OD2 3.74Å; R21-D108 IonicContact NH2-OD1 2.61Å; R21-D108 PolarHBondContact NH2-OD1 2.69Å; R21-D108 IonicContact NH2-OD2 3.71Å; V23-D108 WeakPolarHBondContact CA-OD2 3.46Å; V23-D108 HydrophobicContact CG1-CB 4.14Å; R24-D108 PolarHBondContact N-OD2 2.89Å; R24-D108 PolarHBondContact O-N 3.24Å; D108-R134 VanDerWaalsContact O-CG 3.31Å; D108-R134 WeakPolarHBondContact O-CG 3.23Å; D108-R134 PolarHBondContact O-NE 2.99Å
109	F	98.6	Very high	91.2	Very high	20 Å²	20	56.7 Å²	56.7	9%	0.088	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	162	-177.6	54	-95.8	0	0	0	111.4	V23 V25 W26 M48 V111 R134 R136	V23-F109 HydrophobicContact CG1-CE1 3.62Å; V23-F109 HydrophobicContact CG1-CZ 4.04Å; V25-F109 HydrophobicContact CB-CE2 4.48Å; V25-F109 HydrophobicContact CG1-CD2 4.34Å; V25-F109 HydrophobicContact CG1-CE2 3.89Å; V25-F109 HydrophobicContact CG2-CE2 3.94Å; V25-F109 HydrophobicContact CG2-CZ 3.87Å; W26-F109 PolarHBondContact N-O 3.44Å; M48-F109 HydrophobicContact CB-CE2 3.93Å; M48-F109 HydrophobicContact CB-CZ 3.83Å; M48-F109 HydrophobicContact SD-CE2 4.42Å; F109-V111 HydrophobicContact CD2-CG2 3.88Å; F109-V111 HydrophobicContact CE2-CG2 3.7Å; F109-R134 CarbonylContact C-O 3.35Å; F109-R134 WeakPolarHBondContact CA-O 3.42Å; F109-R134 HydrophobicContact CB-CB 4.3Å; F109-R134 WeakPolarHBondContact CB-O 3.38Å; F109-R136 HydrophobicContact CB-CG 4.41Å; F109-R136 HydrophobicContact CD2-CB 4.13Å; F109-R136 HydrophobicContact CD2-CG 3.49Å; F109-R136 VanDerWaalsContact CD2-CG 3.49Å; F109-R136 HydrophobicContact CE2-CB 4.43Å; F109-R136 HydrophobicContact CE2-CG 3.85Å; F109-R136 HydrophobicContact CG-CG 3.95Å
110	C	98.5	Very high	89.9	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	155.8	166.9	67.5	0	0	0	0	112.5	W26 T97 L102 R134 Y135 R136	W26-C110 HydrophobicContact CB-CB 4.31Å; W26-C110 CarbonylContact O-C 3.54Å; W26-C110 WeakPolarHBondContact O-CA 3.35Å; T97-C110 HydrophobicContact CG2-CB 3.89Å; L102-C110 HydrophobicContact CD2-CB 4.12Å; C110-R134 PolarHBondContact N-O 2.93Å; C110-Y135 VanDerWaalsContact SG-CD2 3.51Å; C110-R136 PolarHBondContact O-N 3.46Å
111	V	98.5	Very high	88.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.4	174	-175.2	0	0	0	0	109.8	V25 W26 C27 A45 M48 F109 R136 C138	V25-V111 HydrophobicContact CG1-CB 4.42Å; V25-V111 HydrophobicContact CG1-CG2 3.49Å; V25-V111 VanDerWaalsContact CG1-CG2 3.49Å; W26-V111 PolarHBondContact O-N 3.05Å; C27-V111 PolarHBondContact SG-O 3.5Å; A45-V111 HydrophobicContact CB-CB 3.76Å; A45-V111 HydrophobicContact CB-CG1 3.9Å; A45-V111 HydrophobicContact CB-CG2 3.95Å; M48-V111 HydrophobicContact CE-CG1 4.11Å; M48-V111 HydrophobicContact SD-CG1 4.07Å; M48-V111 HydrophobicContact SD-CG2 3.68Å; F109-V111 HydrophobicContact CD2-CG2 3.88Å; F109-V111 HydrophobicContact CE2-CG2 3.7Å; V111-R136 WeakPolarHBondContact CA-O 3.19Å; V111-R136 HydrophobicContact CG2-CB 4.12Å; V111-C138 HydrophobicContact CG1-CB 3.95Å
112	H	94.3	Very high	87.7	Confident	15 Å²	15	62.2 Å²	62.2	7%	0.069	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	170.1	178.1	-80.1	-71.9	0	0	0	111.3	D28 T97 Y126 Y135 R136 E137 C138	D28-H112 IonicContact OD1-CE1 3.27Å; D28-H112 PolarHBondContact OD1-CE1 2.8Å; D28-H112 IonicContact OD1-NE2 3.79Å; D28-H112 IonicContact OD2-NE2 3.91Å; T97-H112 PolarHBondContact OG1-NE2 3.25Å; H112-Y126 AromaticContact CD2-CZ 3.93Å; H112-Y126 AromaticContact CE1-CZ 3.91Å; H112-Y126 PolarHBondContact CE1-OH 2.96Å; H112-Y126 AromaticContact NE2-CE1 3.67Å; H112-Y126 AromaticContact NE2-CZ 3.69Å; H112-Y135 HydrophobicContact CB-CE2 3.94Å; H112-Y135 VanDerWaalsContact CB-OH 3.26Å; H112-Y135 WeakPolarHBondContact CB-OH 3.28Å; H112-Y135 AromaticContact CD2-CE2 3.68Å; H112-R136 PolarHBondContact N-O 3.27Å; H112-R136 VanDerWaalsContact N-O 3.08Å; H112-E137 WeakPolarHBondContact O-CA 3.23Å; H112-C138 PolarHBondContact O-N 2.96Å; H112-C138 PolarHBondContact O-SG 2.82Å; H112-C138 VanDerWaalsContact O-SG 3.33Å
113	G	85.9	Confident	86.9	Confident	23 Å²	23	68.7 Å²	68.7	24%	0.237	37%	0.368	C	S	.	.			trans	-68.9	173.9	167.5	0	0	0	0	0	111.7	D115 Y135	G113-D115 VanDerWaalsContact C-N 3.25Å; G113-D115 PolarHBondContact O-N 2.83Å; G113-Y135 PolarHBondContact O-OH 2.74Å
114	N	80.6	Confident	86.3	Confident	91 Å²	91	66.3 Å²	66.3	49%	0.487	36%	0.355	S	S	.	.	S	Bend	trans	-92.3	29.5	176.9	69	-35.7	0	0	0	112.7
115	D	78	Confident	85.8	Confident	89 Å²	89	61.2 Å²	61.2	48%	0.476	34%	0.337	S	S	.	.			trans	-72.8	149	178.8	-70.6	-21.6	0	0	0	110.2	G113 T117 R140	G113-D115 VanDerWaalsContact C-N 3.25Å; G113-D115 PolarHBondContact O-N 2.83Å; D115-T117 PolarHBondContact O-N 3.45Å; D115-R140 VanDerWaalsContact CG-NH1 3.3Å; D115-R140 IonicContact OD1-CZ 2.83Å; D115-R140 IonicContact OD1-NH1 3.65Å; D115-R140 PolarHBondContact OD1-NH1 3.34Å; D115-R140 IonicContact OD2-NH1 3.25Å; D115-R140 PolarHBondContact OD2-NH1 3.49Å
116	I	72.9	Confident	85.6	Confident	155 Å²	155	59.8 Å²	59.8	80%	0.795	33%	0.331	S	S	*	.			trans	-72.6	113.3	176.2	-60.9	174.3	0	0	0	108.3	L118	I116-L118 HydrophobicContact CG2-CD1 3.92Å; I116-L118 HydrophobicContact CG2-CG 3.82Å
117	T	75.3	Confident	85.3	Confident	36 Å²	36	60.3 Å²	60.3	22%	0.221	33%	0.331	C	S	.	.			trans	-118.2	85.4	-177.1	52.8	0	0	0	0	109.7	D115 D124 T125 Y126	D115-T117 PolarHBondContact O-N 3.45Å; T117-D124 WeakPolarHBondContact O-CA 3.42Å; T117-T125 PolarHBondContact O-N 3.24Å; T117-T125 PolarHBondContact O-OG1 2.89Å; T117-Y126 HydrophobicContact CG2-CE2 3.97Å
118	L	76	Confident	85.2	Confident	99 Å²	99	64.8 Å²	64.8	52%	0.518	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-112	142.3	178.4	-59.5	177.4	0	0	0	110.3	I116 R123	I116-L118 HydrophobicContact CG2-CD1 3.92Å; I116-L118 HydrophobicContact CG2-CG 3.82Å; L118-R123 CarbonylContact C-O 3.48Å; L118-R123 VanDerWaalsContact CA-O 3.26Å; L118-R123 WeakPolarHBondContact CA-O 3.46Å
119	T	73.6	Confident	85.1	Confident	54 Å²	54	63.1 Å²	63.1	33%	0.331	34%	0.343	S	S	.	.			trans	-70.2	169.9	165.3	67.7	0	0	0	0	110.4	D121 G122 R123	T119-D121 PolarHBondContact O-N 3.48Å; T119-D121 VanDerWaalsContact O-N 3.12Å; T119-D121 PolarHBondContact OG1-N 3.12Å; T119-G122 PolarHBondContact O-N 3.1Å; T119-R123 PolarHBondContact N-O 3.13Å; T119-R123 PolarHBondContact OG1-N 3.18Å; T119-R123 PolarHBondContact OG1-O 3.5Å
120	V	70.9	Confident	85	Confident	147 Å²	147	65.4 Å²	65.4	89%	0.891	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.1	176	-64.8	0	0	0	0	113.1	G122	V120-G122 VanDerWaalsContact C-N 3.27Å; V120-G122 PolarHBondContact O-N 3.48Å
121	D	73.4	Confident	84.9	Confident	117 Å²	117	72.6 Å²	72.6	63%	0.626	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	4.5	177.5	-49.9	-45.5	0	0	0	112.8	T119 R123	T119-D121 PolarHBondContact O-N 3.48Å; T119-D121 VanDerWaalsContact O-N 3.12Å; T119-D121 PolarHBondContact OG1-N 3.12Å; D121-R123 VanDerWaalsContact C-N 3.34Å; D121-R123 PolarHBondContact O-N 3.03Å; D121-R123 IonicContact OD2-NH2 2.69Å
122	G	77.2	Confident	84.9	Confident	47 Å²	47	75 Å²	75	49%	0.485	41%	0.407	S	S	.	.	S	Bend	trans	77	13.8	-179.6	0	0	0	0	0	115	T119 V120	T119-G122 PolarHBondContact O-N 3.1Å; V120-G122 VanDerWaalsContact C-N 3.27Å; V120-G122 PolarHBondContact O-N 3.48Å
123	R	80.1	Confident	85.1	Confident	136 Å²	136	76.3 Å²	76.3	51%	0.513	42%	0.424	S	S	.	.			trans	-89.4	147.3	175.9	-67.2	-174	-70.4	153.9	-2.3	111.3	L118 T119 D121 T125	L118-R123 CarbonylContact C-O 3.48Å; L118-R123 VanDerWaalsContact CA-O 3.26Å; L118-R123 WeakPolarHBondContact CA-O 3.46Å; T119-R123 PolarHBondContact N-O 3.13Å; T119-R123 PolarHBondContact OG1-N 3.18Å; T119-R123 PolarHBondContact OG1-O 3.5Å; D121-R123 VanDerWaalsContact C-N 3.34Å; D121-R123 PolarHBondContact O-N 3.03Å; D121-R123 IonicContact OD2-NH2 2.69Å; R123-T125 PolarHBondContact O-N 2.71Å
124	D	85.6	Confident	85.6	Confident	47 Å²	47	77.7 Å²	77.7	25%	0.251	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-65	127.9	178.2	-162.1	-58.4	0	0	0	111	T117 Y126 E127 K130	T117-D124 WeakPolarHBondContact O-CA 3.42Å; D124-Y126 PolarHBondContact O-N 3.06Å; D124-Y126 VanDerWaalsContact O-N 3.14Å; D124-Y126 PolarHBondContact OD1-N 3.09Å; D124-E127 HydrophobicContact CB-CB 4.25Å; D124-E127 WeakPolarHBondContact O-CB 3.39Å; D124-E127 PolarHBondContact O-N 2.89Å; D124-E127 VanDerWaalsContact O-N 3.12Å; D124-K130 VanDerWaalsContact CG-NZ 3.32Å; D124-K130 IonicContact OD1-NZ 3.77Å; D124-K130 PolarHBondContact OD1-NZ 3.26Å; D124-K130 IonicContact OD2-NZ 3.45Å; D124-K130 PolarHBondContact OD2-NZ 3.17Å
125	T	89.2	Confident	86.5	Confident	44 Å²	44	74.4 Å²	74.4	27%	0.27	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.6	178.9	-50.5	0	0	0	0	112.3	V96 T117 R123	V96-T125 HydrophobicContact CB-CG2 4.43Å; V96-T125 HydrophobicContact CG1-CG2 3.81Å; V96-T125 WeakPolarHBondContact CG1-O 3.47Å; V96-T125 HydrophobicContact CG2-CG2 3.73Å; T117-T125 PolarHBondContact O-N 3.24Å; T117-T125 PolarHBondContact O-OG1 2.89Å; R123-T125 PolarHBondContact O-N 2.71Å
126	Y	92.8	Very high	87.4	Confident	25 Å²	25	75.3 Å²	75.3	10%	0.098	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	22.4	-179.9	-57.1	-69.7	0	0	0	113.1	V96 T97 H112 T117 D124 E128 V129 K130 Y135	V96-Y126 HydrophobicContact CG1-CD1 4.43Å; V96-Y126 HydrophobicContact CG1-CE1 4.34Å; T97-Y126 WeakPolarHBondContact OG1-CE1 3.37Å; H112-Y126 AromaticContact CD2-CZ 3.93Å; H112-Y126 AromaticContact CE1-CZ 3.91Å; H112-Y126 PolarHBondContact CE1-OH 2.96Å; H112-Y126 AromaticContact NE2-CE1 3.67Å; H112-Y126 AromaticContact NE2-CZ 3.69Å; T117-Y126 HydrophobicContact CG2-CE2 3.97Å; D124-Y126 PolarHBondContact O-N 3.06Å; D124-Y126 VanDerWaalsContact O-N 3.14Å; D124-Y126 PolarHBondContact OD1-N 3.09Å; Y126-E128 VanDerWaalsContact C-N 3.31Å; Y126-E128 PolarHBondContact O-N 2.97Å; Y126-V129 PolarHBondContact O-N 3.14Å; Y126-V129 VanDerWaalsContact O-N 3.17Å; Y126-K130 WeakPolarHBondContact O-CB 3.32Å; Y126-K130 WeakPolarHBondContact O-CG 3.36Å; Y126-K130 PolarHBondContact O-N 3.47Å; Y126-Y135 HydrophobicContact CD1-CE2 4.29Å; Y126-Y135 AromaticContact CD2-CE2 3.63Å; Y126-Y135 HydrophobicContact CD2-CE2 3.63Å; Y126-Y135 HydrophobicContact CE2-CE2 4.23Å; Y126-Y135 HydrophobicContact CG-CD2 4.16Å; Y126-Y135 AromaticContact CG-CE2 3.65Å; Y126-Y135 HydrophobicContact CG-CE2 3.65Å
127	E	93.3	Very high	88.6	Confident	83 Å²	83	73.1 Å²	73.1	39%	0.388	39%	0.386	S	S	.	.	H	α-helix	trans	-48.9	-49.5	-178.2	179.1	171.7	-110.2	0	0	112.5	D124 V129 K130 Q131	D124-E127 HydrophobicContact CB-CB 4.25Å; D124-E127 WeakPolarHBondContact O-CB 3.39Å; D124-E127 PolarHBondContact O-N 2.89Å; D124-E127 VanDerWaalsContact O-N 3.12Å; E127-V129 PolarHBondContact O-N 3.06Å; E127-K130 PolarHBondContact O-N 2.95Å; E127-Q131 HydrophobicContact CG-CG 4.43Å; E127-Q131 VanDerWaalsContact CG-NE2 3.27Å; E127-Q131 WeakPolarHBondContact O-CB 3.27Å; E127-Q131 VanDerWaalsContact O-CG 3.3Å; E127-Q131 WeakPolarHBondContact O-CG 3.41Å; E127-Q131 PolarHBondContact O-N 3.29Å
128	E	95.4	Very high	89.5	Confident	97 Å²	97	71.9 Å²	71.9	45%	0.453	38%	0.378	S	S	.	.	H	α-helix	trans	-55.9	-51.1	179.6	-173.8	-164.3	-160.5	0	0	112	L99 Y126 Q131 A132	L99-E128 HydrophobicContact CD1-CG 3.74Å; L99-E128 HydrophobicContact CG-CG 3.9Å; L99-E128 PolarHBondContact N-OE2 2.96Å; Y126-E128 VanDerWaalsContact C-N 3.31Å; Y126-E128 PolarHBondContact O-N 2.97Å; E128-Q131 PolarHBondContact O-N 3.49Å; E128-A132 PolarHBondContact O-N 2.92Å; E128-A132 VanDerWaalsContact O-N 3.15Å
129	V	96.9	Very high	90.3	Very high	1 Å²	1	75.1 Å²	75.1	1%	0.006	39%	0.388	C	S	.	.	H	α-helix	trans	-71.8	-34.2	-175.4	-174.5	0	0	0	0	111.5	L99 L102 Y126 E127 G133 R134	L99-V129 HydrophobicContact CD2-CB 4.49Å; L99-V129 HydrophobicContact CD2-CG1 4.44Å; L99-V129 HydrophobicContact CD2-CG2 4.27Å; L99-V129 HydrophobicContact CG-CG2 4.49Å; L102-V129 HydrophobicContact CD1-CG1 3.82Å; Y126-V129 PolarHBondContact O-N 3.14Å; Y126-V129 VanDerWaalsContact O-N 3.17Å; E127-V129 PolarHBondContact O-N 3.06Å; V129-G133 PolarHBondContact O-N 2.83Å; V129-R134 HydrophobicContact CG1-CB 4.05Å; V129-R134 WeakPolarHBondContact CG1-O 3.35Å; V129-R134 PolarHBondContact O-N 3.48Å
130	K	96.3	Very high	91.1	Very high	68 Å²	68	79.4 Å²	79.4	30%	0.296	40%	0.399	S	S	.	.	H	α-helix	trans	-66.4	-46.3	174.7	-75.4	178.4	177.8	-179.5	0	111.4	D124 Y126 E127 A132 G133 Y135	D124-K130 VanDerWaalsContact CG-NZ 3.32Å; D124-K130 IonicContact OD1-NZ 3.77Å; D124-K130 PolarHBondContact OD1-NZ 3.26Å; D124-K130 IonicContact OD2-NZ 3.45Å; D124-K130 PolarHBondContact OD2-NZ 3.17Å; Y126-K130 WeakPolarHBondContact O-CB 3.32Å; Y126-K130 WeakPolarHBondContact O-CG 3.36Å; Y126-K130 PolarHBondContact O-N 3.47Å; E127-K130 PolarHBondContact O-N 2.95Å; K130-A132 VanDerWaalsContact C-N 3.28Å; K130-A132 PolarHBondContact O-N 3.1Å; K130-G133 PolarHBondContact O-N 2.68Å; K130-Y135 HydrophobicContact CD-CD1 4.46Å; K130-Y135 VanDerWaalsContact CE-CE1 3.5Å; K130-Y135 HydrophobicContact CG-CD1 3.98Å; K130-Y135 HydrophobicContact CG-CD2 4.15Å; K130-Y135 HydrophobicContact CG-CG 3.7Å
131	Q	96.8	Very high	92.1	Very high	151 Å²	151	73.6 Å²	73.6	71%	0.706	36%	0.363	S	S	*	.	H	α-helix	trans	-62	-35.9	177.6	-73.4	177.7	9.3	0	0	112.2	E127 E128 G133	E127-Q131 HydrophobicContact CG-CG 4.43Å; E127-Q131 VanDerWaalsContact CG-NE2 3.27Å; E127-Q131 WeakPolarHBondContact O-CB 3.27Å; E127-Q131 VanDerWaalsContact O-CG 3.3Å; E127-Q131 WeakPolarHBondContact O-CG 3.41Å; E127-Q131 PolarHBondContact O-N 3.29Å; E128-Q131 PolarHBondContact O-N 3.49Å; Q131-G133 PolarHBondContact O-N 3.38Å
132	A	97.8	Very high	92.7	Very high	51 Å²	51	71.8 Å²	71.8	42%	0.421	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.8	174.3	0	0	0	0	0	114.3	L99 E128 K130 R134	L99-A132 HydrophobicContact CD1-CB 3.94Å; L99-A132 HydrophobicContact CD2-CB 3.74Å; L99-A132 HydrophobicContact CG-CB 4.46Å; E128-A132 PolarHBondContact O-N 2.92Å; E128-A132 VanDerWaalsContact O-N 3.15Å; K130-A132 VanDerWaalsContact C-N 3.28Å; K130-A132 PolarHBondContact O-N 3.1Å; A132-R134 HydrophobicContact CB-CG 4.41Å; A132-R134 PolarHBondContact O-N 3.35Å
133	G	97.9	Very high	93.1	Very high	42 Å²	42	70.3 Å²	70.3	43%	0.433	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	17.5	-178.1	0	0	0	0	0	114.3	V129 K130 Q131 R136	V129-G133 PolarHBondContact O-N 2.83Å; K130-G133 PolarHBondContact O-N 2.68Å; Q131-G133 PolarHBondContact O-N 3.38Å; G133-R136 PolarHBondContact O-NH1 2.96Å; G133-R136 PolarHBondContact O-NH2 3.25Å
134	R	98.3	Very high	93.4	Very high	51 Å²	51	64.5 Å²	64.5	19%	0.192	32%	0.316	C	S	.	.			trans	-108.5	22.1	-174	-66.4	175.3	70.1	-174.4	6.6	113.2	L102 D103 C107 D108 F109 C110 V129 A132	L102-R134 VanDerWaalsContact CB-NH2 3.29Å; L102-R134 HydrophobicContact CD1-CB 4.18Å; D103-R134 IonicContact OD1-CZ 2.76Å; D103-R134 IonicContact OD1-NH1 3.74Å; D103-R134 PolarHBondContact OD1-NH1 3.07Å; D103-R134 IonicContact OD1-NH2 2.78Å; D103-R134 PolarHBondContact OD1-NH2 3.1Å; D103-R134 IonicContact OD2-NH1 2.78Å; C107-R134 PolarHBondContact O-NH2 3.31Å; D108-R134 VanDerWaalsContact O-CG 3.31Å; D108-R134 WeakPolarHBondContact O-CG 3.23Å; D108-R134 PolarHBondContact O-NE 2.99Å; F109-R134 CarbonylContact C-O 3.35Å; F109-R134 WeakPolarHBondContact CA-O 3.42Å; F109-R134 HydrophobicContact CB-CB 4.3Å; F109-R134 WeakPolarHBondContact CB-O 3.38Å; C110-R134 PolarHBondContact N-O 2.93Å; V129-R134 HydrophobicContact CG1-CB 4.05Å; V129-R134 WeakPolarHBondContact CG1-O 3.35Å; V129-R134 PolarHBondContact O-N 3.48Å; A132-R134 HydrophobicContact CB-CG 4.41Å; A132-R134 PolarHBondContact O-N 3.35Å
135	Y	98.3	Very high	93.4	Very high	22 Å²	22	63.7 Å²	63.7	9%	0.086	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.8	173.9	-171.8	-87.7	0	0	0	110.3	C110 H112 G113 Y126 K130 E137	C110-Y135 VanDerWaalsContact SG-CD2 3.51Å; H112-Y135 HydrophobicContact CB-CE2 3.94Å; H112-Y135 VanDerWaalsContact CB-OH 3.26Å; H112-Y135 WeakPolarHBondContact CB-OH 3.28Å; H112-Y135 AromaticContact CD2-CE2 3.68Å; G113-Y135 PolarHBondContact O-OH 2.74Å; Y126-Y135 HydrophobicContact CD1-CE2 4.29Å; Y126-Y135 AromaticContact CD2-CE2 3.63Å; Y126-Y135 HydrophobicContact CD2-CE2 3.63Å; Y126-Y135 HydrophobicContact CE2-CE2 4.23Å; Y126-Y135 HydrophobicContact CG-CD2 4.16Å; Y126-Y135 AromaticContact CG-CE2 3.65Å; Y126-Y135 HydrophobicContact CG-CE2 3.65Å; K130-Y135 HydrophobicContact CD-CD1 4.46Å; K130-Y135 VanDerWaalsContact CE-CE1 3.5Å; K130-Y135 HydrophobicContact CG-CD1 3.98Å; K130-Y135 HydrophobicContact CG-CD2 4.15Å; K130-Y135 HydrophobicContact CG-CG 3.7Å; Y135-E137 HydrophobicContact CD1-CG 4.25Å; Y135-E137 HydrophobicContact CE1-CG 3.54Å
136	R	98	Very high	93.2	Very high	109 Å²	109	64.1 Å²	64.1	41%	0.411	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.4	174.1	-62.3	-65.9	-179.9	-83.6	-4.1	110	M48 F109 C110 V111 H112 G133	M48-R136 HydrophobicContact SD-CB 4.11Å; F109-R136 HydrophobicContact CB-CG 4.41Å; F109-R136 HydrophobicContact CD2-CB 4.13Å; F109-R136 HydrophobicContact CD2-CG 3.49Å; F109-R136 VanDerWaalsContact CD2-CG 3.49Å; F109-R136 HydrophobicContact CE2-CB 4.43Å; F109-R136 HydrophobicContact CE2-CG 3.85Å; F109-R136 HydrophobicContact CG-CG 3.95Å; C110-R136 PolarHBondContact O-N 3.46Å; V111-R136 WeakPolarHBondContact CA-O 3.19Å; V111-R136 HydrophobicContact CG2-CB 4.12Å; H112-R136 PolarHBondContact N-O 3.27Å; H112-R136 VanDerWaalsContact N-O 3.08Å; G133-R136 PolarHBondContact O-NH1 2.96Å; G133-R136 PolarHBondContact O-NH2 3.25Å
137	E	96.6	Very high	92.5	Very high	109 Å²	109	67.7 Å²	67.7	51%	0.509	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.1	178	-67.9	-175.7	-177.3	0	0	111.5	H112 Y135	H112-E137 WeakPolarHBondContact O-CA 3.23Å; Y135-E137 HydrophobicContact CD1-CG 4.25Å; Y135-E137 HydrophobicContact CE1-CG 3.54Å
138	C	94.8	Very high	92	Very high	9 Å²	9	65.6 Å²	65.6	6%	0.061	33%	0.333	C	S	.	.			trans	-115.4	159	169.3	69.3	0	0	0	0	111	Q44 M48 V111 H112	Q44-C138 HydrophobicContact CB-CB 3.94Å; M48-C138 HydrophobicContact CE-CB 4.26Å; V111-C138 HydrophobicContact CG1-CB 3.95Å; H112-C138 PolarHBondContact O-N 2.96Å; H112-C138 PolarHBondContact O-SG 2.82Å; H112-C138 VanDerWaalsContact O-SG 3.33Å
139	K	93.9	Very high	91.6	Very high	168 Å²	168	61 Å²	61	73%	0.73	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-76.6	131.6	-179.5	-63.1	-179.5	-177.4	179.2	0	109.8	Q44 T141	Q44-K139 PolarHBondContact NE2-O 2.79Å; Q44-K139 VanDerWaalsContact OE1-N 3.08Å; K139-T141 PolarHBondContact O-N 3.38Å
140	R	90.1	Very high	90.9	Very high	144 Å²	144	62.3 Å²	62.3	54%	0.543	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-56.8	136.6	172.1	-168.1	173.2	-176	101.2	4	110.7	D115	D115-R140 VanDerWaalsContact CG-NH1 3.3Å; D115-R140 IonicContact OD1-CZ 2.83Å; D115-R140 IonicContact OD1-NH1 3.65Å; D115-R140 PolarHBondContact OD1-NH1 3.34Å; D115-R140 IonicContact OD2-NH1 3.25Å; D115-R140 PolarHBondContact OD2-NH1 3.49Å
141	T	90.7	Very high	90.1	Very high	24 Å²	24	59.9 Å²	59.9	15%	0.147	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-77.9	125.1	-179.3	-55.2	0	0	0	0	110.7	Y36 G37 N40 K139	Y36-T141 HydrophobicContact CD2-CG2 3.96Å; Y36-T141 HydrophobicContact CE2-CG2 3.77Å; G37-T141 PolarHBondContact O-OG1 2.77Å; N40-T141 HydrophobicContact CB-CG2 4.24Å; N40-T141 WeakPolarHBondContact CB-OG1 3.14Å; N40-T141 PolarHBondContact ND2-OG1 3.18Å; K139-T141 PolarHBondContact O-N 3.38Å
142	Q	87.4	Confident	89.5	Confident	79 Å²	79	53.2 Å²	53.2	37%	0.369	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	142.9	177.8	-172.2	-83.5	-29	0	0	111.8	Y36 Q192 F193	Y36-Q142 PolarHBondContact OH-O 3.41Å; Q142-Q192 PolarHBondContact NE2-O 2.95Å; Q142-F193 WeakPolarHBondContact O-CD2 3.49Å
143	G	84	Confident	88.9	Confident	17 Å²	17	50.8 Å²	50.8	18%	0.175	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-1.5	167	0	0	0	0	0	116.1	Y36 R152	Y36-G143 PolarHBondContact OH-O 3.06Å; G143-R152 PolarHBondContact O-NH2 2.81Å
144	V	88.1	Confident	87.8	Confident	13 Å²	13	51.2 Å²	51.2	8%	0.079	25%	0.253	C	S	.	.			trans	-149	144.3	177.2	66.4	0	0	0	0	112.8	H35 Y36 L149	H35-V144 HydrophobicContact CB-CG2 4.17Å; H35-V144 WeakPolarHBondContact ND1-CG1 3.43Å; H35-V144 WeakPolarHBondContact ND1-CG2 3.12Å; Y36-V144 HydrophobicContact CD1-CB 4.36Å; Y36-V144 HydrophobicContact CD1-CG1 4.05Å; Y36-V144 HydrophobicContact CD1-CG2 4.49Å; Y36-V144 HydrophobicContact CD2-CG1 3.98Å; Y36-V144 HydrophobicContact CE1-CB 3.52Å; Y36-V144 HydrophobicContact CE1-CG1 3.55Å; Y36-V144 HydrophobicContact CE1-CG2 3.93Å; Y36-V144 HydrophobicContact CE2-CB 4.2Å; Y36-V144 HydrophobicContact CE2-CG1 3.48Å; Y36-V144 VanDerWaalsContact CE2-CG1 3.48Å; Y36-V144 HydrophobicContact CG-CG1 4.24Å; Y36-V144 VanDerWaalsContact CZ-CB 3.44Å; Y36-V144 WeakPolarHBondContact OH-CB 3.49Å; V144-L149 HydrophobicContact CG2-CD1 3.86Å; V144-L149 HydrophobicContact CG2-CD2 4.12Å; V144-L149 HydrophobicContact CG2-CG 3.88Å
145	S	85.7	Confident	86.6	Confident	30 Å²	30	50.5 Å²	50.5	21%	0.21	25%	0.253	C	S	.	.			trans	-150.8	161.9	161.9	64.7	0	0	0	0	109	T147 D148 L149	S145-T147 PolarHBondContact O-N 3.47Å; S145-D148 WeakPolarHBondContact O-CB 3.34Å; S145-D148 PolarHBondContact O-N 2.6Å; S145-D148 VanDerWaalsContact O-N 3.17Å; S145-D148 WeakPolarHBondContact OG-CB 3.36Å; S145-D148 PolarHBondContact OG-N 3.28Å; S145-D148 VanDerWaalsContact OG-N 3.11Å; S145-L149 PolarHBondContact O-N 2.99Å
146	T	83.9	Confident	85.1	Confident	53 Å²	53	49.5 Å²	49.5	33%	0.325	25%	0.25	S	C	.	.	H	α-helix	trans	-56.8	-40.7	174	-46.6	0	0	0	0	111.4	M33 D148 L149 V150	M33-T146 HydrophobicContact CB-CG2 4.46Å; T146-D148 PolarHBondContact O-N 3.49Å; T146-L149 PolarHBondContact O-N 3.22Å; T146-V150 HydrophobicContact CG2-CG2 4.4Å; T146-V150 WeakPolarHBondContact O-CB 3.49Å; T146-V150 VanDerWaalsContact O-CG2 3.22Å; T146-V150 WeakPolarHBondContact O-CG2 3.47Å; T146-V150 PolarHBondContact O-N 3.07Å
147	T	78.1	Confident	83.2	Confident	101 Å²	101	45.1 Å²	45.1	62%	0.62	24%	0.235	S	C	*	.	H	α-helix	trans	-61.1	-42.8	176.7	-51.5	0	0	0	0	112.6	S145 V150 G151	S145-T147 PolarHBondContact O-N 3.47Å; T147-V150 PolarHBondContact O-N 3.18Å; T147-G151 PolarHBondContact O-N 2.99Å
148	D	82.3	Confident	81.3	Confident	39 Å²	39	42.5 Å²	42.5	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-51.4	174.6	165.3	40.4	0	0	0	110.9	S145 T146 V150 G151 R152	S145-D148 WeakPolarHBondContact O-CB 3.34Å; S145-D148 PolarHBondContact O-N 2.6Å; S145-D148 VanDerWaalsContact O-N 3.17Å; S145-D148 WeakPolarHBondContact OG-CB 3.36Å; S145-D148 PolarHBondContact OG-N 3.28Å; S145-D148 VanDerWaalsContact OG-N 3.11Å; T146-D148 PolarHBondContact O-N 3.49Å; D148-V150 VanDerWaalsContact C-N 3.33Å; D148-V150 PolarHBondContact O-N 3.21Å; D148-G151 WeakPolarHBondContact O-CA 3.45Å; D148-G151 PolarHBondContact O-N 3.49Å; D148-R152 WeakPolarHBondContact O-CG 3.39Å; D148-R152 PolarHBondContact O-N 3.35Å; D148-R152 IonicContact OD1-CZ 2.61Å; D148-R152 IonicContact OD1-NE 2.75Å; D148-R152 PolarHBondContact OD1-NE 3.27Å; D148-R152 IonicContact OD1-NH2 3.57Å; D148-R152 IonicContact OD2-CZ 2.61Å; D148-R152 IonicContact OD2-NE 3.03Å; D148-R152 PolarHBondContact OD2-NE 3.22Å; D148-R152 IonicContact OD2-NH2 3.66Å; D148-R152 PolarHBondContact OD2-NH2 2.92Å
149	L	86.7	Confident	79.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-42	179.3	-66.2	177.3	0	0	0	112.3	H35 V144 S145 T146 G151 R152 M153 L224 I265 M266	H35-L149 HydrophobicContact CB-CD1 3.78Å; V144-L149 HydrophobicContact CG2-CD1 3.86Å; V144-L149 HydrophobicContact CG2-CD2 4.12Å; V144-L149 HydrophobicContact CG2-CG 3.88Å; S145-L149 PolarHBondContact O-N 2.99Å; T146-L149 PolarHBondContact O-N 3.22Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 3.22Å; L149-R152 PolarHBondContact O-N 2.89Å; L149-M153 HydrophobicContact CB-CE 4.02Å; L149-M153 VanDerWaalsContact O-CG 3.29Å; L149-M153 WeakPolarHBondContact O-CG 3.38Å; L149-M153 PolarHBondContact O-N 2.82Å; L149-L224 HydrophobicContact CD2-CD2 4.39Å; L149-I265 HydrophobicContact CD2-CG2 4.45Å; L149-M266 HydrophobicContact CD1-CE 3.44Å; L149-M266 VanDerWaalsContact CD1-CE 3.44Å; L149-M266 HydrophobicContact CD2-CE 3.66Å; L149-M266 HydrophobicContact CD2-CG 4.13Å; L149-M266 HydrophobicContact CG-CE 4.21Å
150	V	82.9	Confident	76.9	Confident	29 Å²	29	41 Å²	41	18%	0.176	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-44.8	173.8	170.9	0	0	0	0	110.5	T146 T147 D148 R152 M153 L154 I349	T146-V150 HydrophobicContact CG2-CG2 4.4Å; T146-V150 WeakPolarHBondContact O-CB 3.49Å; T146-V150 VanDerWaalsContact O-CG2 3.22Å; T146-V150 WeakPolarHBondContact O-CG2 3.47Å; T146-V150 PolarHBondContact O-N 3.07Å; T147-V150 PolarHBondContact O-N 3.18Å; D148-V150 VanDerWaalsContact C-N 3.33Å; D148-V150 PolarHBondContact O-N 3.21Å; V150-R152 VanDerWaalsContact C-N 3.32Å; V150-R152 PolarHBondContact O-N 2.91Å; V150-M153 PolarHBondContact O-N 3.36Å; V150-M153 VanDerWaalsContact O-N 3.16Å; V150-L154 HydrophobicContact CG1-CD1 4.17Å; V150-L154 HydrophobicContact CG1-CG 4.46Å; V150-L154 WeakPolarHBondContact O-CG 3.28Å; V150-L154 PolarHBondContact O-N 3.23Å; V150-I349 HydrophobicContact CG1-CG2 4.19Å; V150-I349 HydrophobicContact CG2-CG2 3.94Å
151	G	79.6	Confident	74.8	Confident	17 Å²	17	39.9 Å²	39.9	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-42.9	175	0	0	0	0	0	113	T147 D148 L149 L154 L155	T147-G151 PolarHBondContact O-N 2.99Å; D148-G151 WeakPolarHBondContact O-CA 3.45Å; D148-G151 PolarHBondContact O-N 3.49Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 3.22Å; G151-L154 PolarHBondContact O-N 3.17Å; G151-L155 PolarHBondContact O-N 3.03Å
152	R	85	Confident	72.7	Confident	10 Å²	10	44.1 Å²	44.1	4%	0.038	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-40.9	175.5	-59.3	-177.9	-162.2	-173.3	7.5	112.4	G143 D148 L149 V150 L154 L155 V156 V190 S191 I265 E270	G143-R152 PolarHBondContact O-NH2 2.81Å; D148-R152 WeakPolarHBondContact O-CG 3.39Å; D148-R152 PolarHBondContact O-N 3.35Å; D148-R152 IonicContact OD1-CZ 2.61Å; D148-R152 IonicContact OD1-NE 2.75Å; D148-R152 PolarHBondContact OD1-NE 3.27Å; D148-R152 IonicContact OD1-NH2 3.57Å; D148-R152 IonicContact OD2-CZ 2.61Å; D148-R152 IonicContact OD2-NE 3.03Å; D148-R152 PolarHBondContact OD2-NE 3.22Å; D148-R152 IonicContact OD2-NH2 3.66Å; D148-R152 PolarHBondContact OD2-NH2 2.92Å; L149-R152 PolarHBondContact O-N 2.89Å; V150-R152 VanDerWaalsContact C-N 3.32Å; V150-R152 PolarHBondContact O-N 2.91Å; R152-L154 VanDerWaalsContact C-N 3.35Å; R152-L154 PolarHBondContact O-N 3.37Å; R152-L155 WeakPolarHBondContact O-CB 3.3Å; R152-L155 PolarHBondContact O-N 3.28Å; R152-V156 WeakPolarHBondContact O-CG2 3.42Å; R152-V156 PolarHBondContact O-N 2.96Å; R152-V190 HydrophobicContact CG-CG2 3.9Å; R152-S191 PolarHBondContact NH2-OG 3.49Å; R152-I265 HydrophobicContact CB-CG2 3.78Å; R152-I265 WeakPolarHBondContact CD-O 3.44Å; R152-I265 PolarHBondContact NH1-O 3Å; R152-E270 IonicContact CZ-OE1 2.77Å; R152-E270 IonicContact CZ-OE2 2.76Å; R152-E270 VanDerWaalsContact NH1-CD 3.32Å; R152-E270 IonicContact NH1-OE1 3.44Å; R152-E270 PolarHBondContact NH1-OE1 2.94Å; R152-E270 IonicContact NH1-OE2 3.17Å; R152-E270 PolarHBondContact NH1-OE2 3.15Å; R152-E270 IonicContact NH2-OE1 3.63Å; R152-E270 PolarHBondContact NH2-OE1 2.93Å
153	M	84.4	Confident	70.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-37.8	177.5	-65.8	-176.7	-140.9	0	0	112.4	L149 V150 L155 V156 T157 L224 I265 V346 I349	L149-M153 HydrophobicContact CB-CE 4.02Å; L149-M153 VanDerWaalsContact O-CG 3.29Å; L149-M153 WeakPolarHBondContact O-CG 3.38Å; L149-M153 PolarHBondContact O-N 2.82Å; V150-M153 PolarHBondContact O-N 3.36Å; V150-M153 VanDerWaalsContact O-N 3.16Å; M153-L155 VanDerWaalsContact C-N 3.29Å; M153-L155 PolarHBondContact O-N 2.93Å; M153-V156 WeakPolarHBondContact O-CB 3.4Å; M153-V156 PolarHBondContact O-N 3.5Å; M153-V156 VanDerWaalsContact O-N 3.16Å; M153-T157 PolarHBondContact O-N 3.19Å; M153-L224 HydrophobicContact CE-CD1 3.44Å; M153-L224 VanDerWaalsContact CE-CD1 3.44Å; M153-L224 HydrophobicContact CE-CD2 3.84Å; M153-L224 HydrophobicContact CE-CG 4.3Å; M153-L224 HydrophobicContact CG-CD1 4.37Å; M153-L224 HydrophobicContact SD-CD1 3.87Å; M153-I265 HydrophobicContact CG-CD1 4.27Å; M153-I265 HydrophobicContact CG-CG1 4.41Å; M153-I265 HydrophobicContact CG-CG2 4.18Å; M153-V346 HydrophobicContact CB-CG1 4.33Å; M153-V346 HydrophobicContact CB-CG2 4.2Å; M153-V346 HydrophobicContact CG-CG2 3.87Å; M153-V346 HydrophobicContact SD-CG2 3.97Å; M153-I349 HydrophobicContact CE-CD1 3.53Å; M153-I349 HydrophobicContact SD-CB 4.39Å; M153-I349 HydrophobicContact SD-CD1 3.34Å; M153-I349 WeakPolarHBondContact SD-CD1 3.24Å; M153-I349 HydrophobicContact SD-CG1 4.37Å; M153-I349 HydrophobicContact SD-CG2 4.43Å
154	L	75.6	Confident	68.5	Low	51 Å²	51	52.2 Å²	52.2	27%	0.267	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-32.2	175	-68	172.6	0	0	0	112.4	V150 G151 R152 V156 T157 K158 I350	V150-L154 HydrophobicContact CG1-CD1 4.17Å; V150-L154 HydrophobicContact CG1-CG 4.46Å; V150-L154 WeakPolarHBondContact O-CG 3.28Å; V150-L154 PolarHBondContact O-N 3.23Å; G151-L154 PolarHBondContact O-N 3.17Å; R152-L154 VanDerWaalsContact C-N 3.35Å; R152-L154 PolarHBondContact O-N 3.37Å; L154-V156 VanDerWaalsContact C-N 3.3Å; L154-V156 PolarHBondContact O-N 2.79Å; L154-T157 PolarHBondContact O-N 2.91Å; L154-T157 PolarHBondContact O-OG1 3.42Å; L154-T157 VanDerWaalsContact O-OG1 3.1Å; L154-K158 PolarHBondContact O-N 3.36Å; L154-I350 HydrophobicContact CD2-CG1 4.15Å
155	L	72.5	Confident	66.4	Low	36 Å²	36	61.4 Å²	61.4	19%	0.188	34%	0.344	C	S	.	.	H	α-helix	trans	-66.3	-32.4	173.7	-70.6	169.6	0	0	0	112.3	G151 R152 M153 T157 K158 V190 N262	G151-L155 PolarHBondContact O-N 3.03Å; R152-L155 WeakPolarHBondContact O-CB 3.3Å; R152-L155 PolarHBondContact O-N 3.28Å; M153-L155 VanDerWaalsContact C-N 3.29Å; M153-L155 PolarHBondContact O-N 2.93Å; L155-T157 VanDerWaalsContact C-N 3.34Å; L155-K158 HydrophobicContact CD2-CD 4.35Å; L155-V190 HydrophobicContact CD1-CG1 4.04Å; L155-N262 PolarHBondContact O-ND2 3.45Å
156	V	66.1	Low	64.4	Low	2 Å²	2	64.6 Å²	64.6	1%	0.012	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-37.7	178.4	-176.7	0	0	0	0	111.3	R152 M153 L154 K261 N262 Y263 I265	R152-V156 WeakPolarHBondContact O-CG2 3.42Å; R152-V156 PolarHBondContact O-N 2.96Å; M153-V156 WeakPolarHBondContact O-CB 3.4Å; M153-V156 PolarHBondContact O-N 3.5Å; M153-V156 VanDerWaalsContact O-N 3.16Å; L154-V156 VanDerWaalsContact C-N 3.3Å; L154-V156 PolarHBondContact O-N 2.79Å; V156-K261 HydrophobicContact CG1-CB 3.92Å; V156-K261 HydrophobicContact CG1-CD 3.96Å; V156-N262 HydrophobicContact CB-CB 4.41Å; V156-N262 HydrophobicContact CG2-CB 3.81Å; V156-Y263 HydrophobicContact CG1-CE2 4.26Å; V156-I265 HydrophobicContact CB-CD1 4.42Å; V156-I265 HydrophobicContact CG2-CD1 3.19Å
157	T	59.8	Low	62.7	Low	16 Å²	16	65 Å²	65	10%	0.098	36%	0.362	C	S	.	.	H	α-helix	trans	-81.6	-25.3	-177	53.5	0	0	0	0	114.1	M153 L154 L155 A159 H160 H161 V346 I350	M153-T157 PolarHBondContact O-N 3.19Å; L154-T157 PolarHBondContact O-N 2.91Å; L154-T157 PolarHBondContact O-OG1 3.42Å; L154-T157 VanDerWaalsContact O-OG1 3.1Å; L155-T157 VanDerWaalsContact C-N 3.34Å; T157-A159 VanDerWaalsContact C-N 3.26Å; T157-A159 PolarHBondContact O-N 3.38Å; T157-H160 WeakPolarHBondContact O-CA 3.31Å; T157-H160 WeakPolarHBondContact O-CB 3.41Å; T157-H160 PolarHBondContact O-N 3.25Å; T157-H161 PolarHBondContact O-N 3.43Å; T157-V346 HydrophobicContact CG2-CG1 3.92Å; T157-I350 HydrophobicContact CG2-CD1 3.14Å
158	K	55.6	Low	61.2	Low	55 Å²	55	64.7 Å²	64.7	24%	0.239	36%	0.364	C	S	.	.	H	α-helix	trans	-55.9	-40.8	168.3	-72.8	-173.9	-174.3	-179.5	0	113.3	L154 L155 H160 H161 A174 D175	L154-K158 PolarHBondContact O-N 3.36Å; L155-K158 HydrophobicContact CD2-CD 4.35Å; K158-H160 PolarHBondContact O-N 3.37Å; K158-H161 PolarHBondContact O-N 3.16Å; K158-A174 PolarHBondContact NZ-O 3.16Å; K158-D175 IonicContact NZ-OD1 3.52Å
159	A	52	Low	59.4	Low	59 Å²	59	69.9 Å²	69.9	49%	0.488	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.8	178.1	0	0	0	0	0	112.4	T157	T157-A159 VanDerWaalsContact C-N 3.26Å; T157-A159 PolarHBondContact O-N 3.38Å
160	H	45.5	Very low	57.6	Low	85 Å²	85	74 Å²	74	39%	0.394	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-34.4	175.7	-88.6	-70.5	0	0	0	114.3	T157 K158 K261	T157-H160 WeakPolarHBondContact O-CA 3.31Å; T157-H160 WeakPolarHBondContact O-CB 3.41Å; T157-H160 PolarHBondContact O-N 3.25Å; K158-H160 PolarHBondContact O-N 3.37Å; H160-K261 VanDerWaalsContact CE1-CE 3.41Å; H160-K261 WeakPolarHBondContact CE1-CE 3.47Å; H160-K261 WeakPolarHBondContact NE2-CD 3.38Å; H160-K261 WeakPolarHBondContact NE2-CE 3.46Å; H160-K261 WeakPolarHBondContact NE2-CG 3.41Å; H160-K261 PolarHBondContact NE2-NZ 3.44Å
161	H	45	Very low	55.9	Low	121 Å²	121	80.8 Å²	80.8	56%	0.56	43%	0.425	S	S	*	.			trans	-96.5	19.4	-170.2	-70.3	-162.1	0	0	0	113.4	T157 K158 S163 Q164	T157-H161 PolarHBondContact O-N 3.43Å; K158-H161 PolarHBondContact O-N 3.16Å; H161-S163 PolarHBondContact O-N 3.41Å; H161-Q164 PolarHBondContact O-N 3.05Å; H161-Q164 VanDerWaalsContact O-N 3.14Å
162	S	47	Very low	54.2	Low	113 Å²	113	87 Å²	87	79%	0.79	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	10.7	174.8	60.8	0	0	0	0	114.6
163	S	43	Very low	52.3	Low	101 Å²	101	92.8 Å²	92.8	71%	0.706	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	3.9	174.6	59.9	0	0	0	0	115.2	H161	H161-S163 PolarHBondContact O-N 3.41Å
164	Q	39	Very low	50.3	Low	165 Å²	165	93.5 Å²	93.5	77%	0.771	48%	0.479	S	S	*	.	S	Bend	trans	-147.2	138.1	175	-109.8	152.9	-2.3	0	0	113.8	H161 M166	H161-Q164 PolarHBondContact O-N 3.05Å; H161-Q164 VanDerWaalsContact O-N 3.14Å; Q164-M166 PolarHBondContact O-N 2.72Å
165	E	44.8	Very low	48.9	Very low	206 Å²	206	95 Å²	95	96%	0.963	49%	0.487	S	S	*	.			trans	-57.2	117.9	-167.9	-65.2	179.7	157.9	0	0	113.4
166	M	44.2	Very low	47.7	Very low	98 Å²	98	96.9 Å²	96.9	48%	0.483	50%	0.503	S	S	.	.			trans	-105.1	139.9	174	-171.8	174.7	68.5	0	0	109	Q164 R171	Q164-M166 PolarHBondContact O-N 2.72Å; M166-R171 HydrophobicContact CE-CB 4.43Å; M166-R171 HydrophobicContact CE-CG 4.48Å
167	S	47.9	Very low	46.6	Very low	61 Å²	61	101.5 Å²	101.5	43%	0.427	52%	0.523	S	S	.	.			trans	-63.8	149.4	-177	83.1	0	0	0	0	112.3	E169 Y170	S167-E169 VanDerWaalsContact C-N 3.27Å; S167-E169 PolarHBondContact O-N 3.21Å; S167-Y170 PolarHBondContact O-N 2.85Å; S167-Y170 WeakPolarHBondContact OG-CD2 3.49Å
168	S	45.7	Very low	45.8	Very low	94 Å²	94	103.3 Å²	103.3	66%	0.657	55%	0.546	S	S	*	.	H	α-helix	trans	-59.5	-33.5	-170.9	55.4	0	0	0	0	113.9	Y170 R171 E172	S168-Y170 PolarHBondContact O-N 3.12Å; S168-R171 WeakPolarHBondContact O-CB 3.34Å; S168-R171 PolarHBondContact O-N 3.18Å; S168-E172 PolarHBondContact O-N 3.3Å
169	E	45.3	Very low	44.9	Very low	148 Å²	148	108.9 Å²	108.9	69%	0.692	57%	0.57	S	S	*	*	H	α-helix	trans	-65.2	-36.8	179.2	-69.1	175.9	163.8	0	0	112.5	S167 R171 E172 Y173	S167-E169 VanDerWaalsContact C-N 3.27Å; S167-E169 PolarHBondContact O-N 3.21Å; E169-R171 VanDerWaalsContact C-N 3.28Å; E169-R171 PolarHBondContact O-N 2.61Å; E169-E172 PolarHBondContact O-N 3.34Å; E169-Y173 PolarHBondContact O-N 2.85Å
170	Y	49.3	Very low	44	Very low	87 Å²	87	109 Å²	109	34%	0.341	57%	0.566	S	S	.	*	H	α-helix	trans	-69.9	-27	177.1	-75.1	-72	0	0	0	112.9	S167 S168 A174 E357	S167-Y170 PolarHBondContact O-N 2.85Å; S167-Y170 WeakPolarHBondContact OG-CD2 3.49Å; S168-Y170 PolarHBondContact O-N 3.12Å; Y170-A174 WeakPolarHBondContact O-CB 3.28Å; Y170-A174 PolarHBondContact O-N 2.92Å; Y170-E357 PolarHBondContact OH-OE1 3.23Å; Y170-E357 PolarHBondContact OH-OE2 3.49Å
171	R	45.8	Very low	43.4	Very low	171 Å²	171	111.5 Å²	111.5	65%	0.645	59%	0.59	S	S	*	*	H	α-helix	trans	-69.9	-43.7	177.7	-147.8	172.2	171.7	140.9	-2.6	110.4	M166 S168 E169 D175	M166-R171 HydrophobicContact CE-CB 4.43Å; M166-R171 HydrophobicContact CE-CG 4.48Å; S168-R171 WeakPolarHBondContact O-CB 3.34Å; S168-R171 PolarHBondContact O-N 3.18Å; E169-R171 VanDerWaalsContact C-N 3.28Å; E169-R171 PolarHBondContact O-N 2.61Å; R171-D175 WeakPolarHBondContact O-CB 3.3Å; R171-D175 VanDerWaalsContact O-CG 3.25Å; R171-D175 PolarHBondContact O-N 2.75Å
172	E	44.1	Very low	42.9	Very low	149 Å²	149	108.2 Å²	108.2	70%	0.696	59%	0.589	S	S	*	*	H	α-helix	trans	-66.3	-46.8	177.9	-77.5	-175.3	152.6	0	0	113.5	S168 E169 A174 D175 S176	S168-E172 PolarHBondContact O-N 3.3Å; E169-E172 PolarHBondContact O-N 3.34Å; E172-A174 PolarHBondContact O-N 2.72Å; E172-D175 PolarHBondContact O-N 3.45Å; E172-S176 PolarHBondContact O-N 2.86Å; E172-S176 VanDerWaalsContact O-N 3.14Å
173	Y	45	Very low	42.3	Very low	130 Å²	130	107.3 Å²	107.3	51%	0.51	60%	0.598	S	S	.	*	H	α-helix	trans	-58.3	-40.6	-178.6	-175.4	-101	0	0	0	111.9	E169 S176 F177	E169-Y173 PolarHBondContact O-N 2.85Å; Y173-S176 WeakPolarHBondContact O-CB 3.41Å; Y173-S176 PolarHBondContact O-N 3.14Å; Y173-S176 PolarHBondContact O-OG 2.84Å; Y173-F177 HydrophobicContact CE1-CD2 4.39Å; Y173-F177 AromaticContact CE1-CE2 3.82Å; Y173-F177 HydrophobicContact CE1-CE2 3.82Å; Y173-F177 AromaticContact CZ-CE2 3.85Å
174	A	43.3	Very low	42.1	Very low	16 Å²	16	109.9 Å²	109.9	13%	0.132	59%	0.592	C	S	.	*	H	α-helix	trans	-93.7	-13.8	-171.1	0	0	0	0	0	112.6	K158 Y170 E172 S176	K158-A174 PolarHBondContact NZ-O 3.16Å; Y170-A174 WeakPolarHBondContact O-CB 3.28Å; Y170-A174 PolarHBondContact O-N 2.92Å; E172-A174 PolarHBondContact O-N 2.72Å; A174-S176 VanDerWaalsContact C-N 3.32Å
175	D	45.7	Very low	42.2	Very low	83 Å²	83	106.1 Å²	106.1	44%	0.444	58%	0.577	S	S	.	*	H	α-helix	trans	-75.5	-22.4	162.2	-77.5	-5.7	0	0	0	111.8	K158 R171 E172 F177 G178	K158-D175 IonicContact NZ-OD1 3.52Å; R171-D175 WeakPolarHBondContact O-CB 3.3Å; R171-D175 VanDerWaalsContact O-CG 3.25Å; R171-D175 PolarHBondContact O-N 2.75Å; E172-D175 PolarHBondContact O-N 3.45Å; D175-F177 VanDerWaalsContact C-N 3.32Å; D175-F177 PolarHBondContact O-N 2.81Å; D175-G178 PolarHBondContact O-N 2.76Å
176	S	48.1	Very low	42.1	Very low	74 Å²	74	101.2 Å²	101.2	52%	0.517	56%	0.563	S	S	.	*	H	α-helix	trans	-65.1	-33.3	174.3	90.2	0	0	0	0	113	E172 Y173 A174	E172-S176 PolarHBondContact O-N 2.86Å; E172-S176 VanDerWaalsContact O-N 3.14Å; Y173-S176 WeakPolarHBondContact O-CB 3.41Å; Y173-S176 PolarHBondContact O-N 3.14Å; Y173-S176 PolarHBondContact O-OG 2.84Å; A174-S176 VanDerWaalsContact C-N 3.32Å
177	F	43.4	Very low	42.2	Very low	99 Å²	99	102.6 Å²	102.6	43%	0.434	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	-22.3	177	-82.2	-86.4	0	0	0	113.9	Y173 D175	Y173-F177 HydrophobicContact CE1-CD2 4.39Å; Y173-F177 AromaticContact CE1-CE2 3.82Å; Y173-F177 HydrophobicContact CE1-CE2 3.82Å; Y173-F177 AromaticContact CZ-CE2 3.85Å; D175-F177 VanDerWaalsContact C-N 3.32Å; D175-F177 PolarHBondContact O-N 2.81Å
178	G	41.2	Very low	42.2	Very low	55 Å²	55	101.5 Å²	101.5	57%	0.567	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-12.1	-178.8	0	0	0	0	0	114.7	D175 C180	D175-G178 PolarHBondContact O-N 2.76Å; G178-C180 PolarHBondContact O-N 2.83Å
179	K	37.9	Very low	42.4	Very low	171 Å²	171	98 Å²	98	74%	0.743	53%	0.532	S	S	*	.			trans	-91.9	78.6	-178.7	-70.1	-178.9	-177	176.1	0	111.4
180	C	33.3	Very low	43.3	Very low	61 Å²	61	93.9 Å²	93.9	41%	0.412	52%	0.517	S	S	.	.			trans	-91.5	115.2	153.8	-79.9	0	0	0	0	108.5	G178 G182	G178-C180 PolarHBondContact O-N 2.83Å; C180-G182 PolarHBondContact O-N 3.32Å; C180-G182 VanDerWaalsContact O-N 3.1Å
181	P	32	Very low	44.6	Very low	139 Å²	139	90.6 Å²	90.6	90%	0.903	51%	0.506	S	S	*	.	S	Bend	trans	-71.1	106.7	171.7	9.8	1.9	0	0	0	108.4
182	G	34.7	Very low	46.1	Very low	51 Å²	51	88.4 Å²	88.4	53%	0.526	50%	0.504	S	S	.	.	S	Bend	trans	137.8	87	170.5	0	0	0	0	0	113.8	C180 R184	C180-G182 PolarHBondContact O-N 3.32Å; C180-G182 VanDerWaalsContact O-N 3.1Å; G182-R184 VanDerWaalsContact C-N 3.29Å; G182-R184 WeakPolarHBondContact O-CG 3.42Å; G182-R184 PolarHBondContact O-N 3.4Å
183	G	34.2	Very low	47.9	Very low	95 Å²	95	82.1 Å²	82.1	98%	0.979	47%	0.474	S	S	*	.			trans	32.9	42.4	151.1	0	0	0	0	0	119.7
184	R	40	Very low	49.8	Very low	154 Å²	154	81.8 Å²	81.8	58%	0.581	48%	0.481	S	S	*	.			trans	-95.4	146.3	177.4	-79.1	172.9	-174.2	-173.9	2.4	110.9	G182	G182-R184 VanDerWaalsContact C-N 3.29Å; G182-R184 WeakPolarHBondContact O-CG 3.42Å; G182-R184 PolarHBondContact O-N 3.4Å
185	N	39.8	Very low	51.8	Low	86 Å²	86	83.1 Å²	83.1	46%	0.46	48%	0.484	S	S	.	.			trans	-56.3	128.4	-177.2	-148.8	-6.4	0	0	0	110.4	W187 G189	N185-W187 PolarHBondContact O-N 3.03Å; N185-G189 WeakPolarHBondContact O-CA 3.45Å; N185-G189 PolarHBondContact O-N 3.41Å; N185-G189 VanDerWaalsContact O-N 3.07Å
186	P	43.7	Very low	53.9	Low	103 Å²	103	82.2 Å²	82.2	67%	0.669	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.7	-169.9	-24.3	32.9	0	0	0	114.6
187	W	47.1	Very low	56	Low	127 Å²	127	83 Å²	83	48%	0.481	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-30.9	-167.9	-45.4	94.3	0	0	0	113.8	N185 K261	N185-W187 PolarHBondContact O-N 3.03Å; W187-K261 WeakPolarHBondContact CZ3-O 3.49Å
188	T	46.3	Very low	58.4	Low	39 Å²	39	83.3 Å²	83.3	24%	0.239	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-0.4	-174.3	55.1	0	0	0	0	113.6	V190 D252	T188-V190 VanDerWaalsContact C-N 3.26Å; T188-V190 PolarHBondContact O-N 3.31Å; T188-D252 HydrophobicContact CG2-CB 3.57Å
189	G	50.8	Low	60.8	Low	19 Å²	19	82.9 Å²	82.9	20%	0.196	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	1.7	-170.1	0	0	0	0	0	117	N185	N185-G189 WeakPolarHBondContact O-CA 3.45Å; N185-G189 PolarHBondContact O-N 3.41Å; N185-G189 VanDerWaalsContact O-N 3.07Å
190	V	63.7	Low	63.5	Low	63 Å²	63	77 Å²	77	38%	0.382	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-29.2	-178.3	-63.5	0	0	0	0	113.4	R152 L155 T188	R152-V190 HydrophobicContact CG-CG2 3.9Å; L155-V190 HydrophobicContact CD1-CG1 4.04Å; T188-V190 VanDerWaalsContact C-N 3.26Å; T188-V190 PolarHBondContact O-N 3.31Å
191	S	76.1	Confident	66.4	Low	17 Å²	17	79.4 Å²	79.4	12%	0.119	46%	0.456	C	S	.	.			trans	-75.7	131.5	176.8	-178.2	0	0	0	0	110.8	R152 F193 E270	R152-S191 PolarHBondContact NH2-OG 3.49Å; S191-F193 WeakPolarHBondContact OG-CB 2.96Å; S191-F193 PolarHBondContact OG-N 3.41Å; S191-F193 VanDerWaalsContact OG-N 3.17Å; S191-E270 WeakPolarHBondContact CB-OE1 3.33Å; S191-E270 PolarHBondContact OG-OE1 2.9Å
192	Q	77.4	Confident	69.4	Low	126 Å²	126	76 Å²	76	59%	0.589	43%	0.428	S	S	*	.			trans	-101.1	13.5	171.9	-58.2	-177.5	0.2	0	0	111.7	Q142 L194	Q142-Q192 PolarHBondContact NE2-O 2.95Å; Q192-L194 PolarHBondContact O-N 2.91Å
193	F	82.9	Confident	72.3	Confident	17 Å²	17	73.7 Å²	73.7	8%	0.075	40%	0.404	C	S	.	.			trans	-64.5	124.3	-178.4	175.7	-114.1	0	0	0	111.6	Y36 Q142 S191 Q195 K199 H269 E270 L273	Y36-F193 AromaticContact CE2-CD2 3.97Å; Y36-F193 HydrophobicContact CE2-CD2 3.97Å; Y36-F193 AromaticContact CE2-CE2 3.85Å; Y36-F193 HydrophobicContact CE2-CE2 3.85Å; Y36-F193 AromaticContact CZ-CD2 3.89Å; Y36-F193 VanDerWaalsContact OH-CD2 3.23Å; Y36-F193 WeakPolarHBondContact OH-CD2 3.41Å; Q142-F193 WeakPolarHBondContact O-CD2 3.49Å; S191-F193 WeakPolarHBondContact OG-CB 2.96Å; S191-F193 PolarHBondContact OG-N 3.41Å; S191-F193 VanDerWaalsContact OG-N 3.17Å; F193-Q195 HydrophobicContact CD1-CB 4.39Å; F193-Q195 HydrophobicContact CE1-CB 3.76Å; F193-Q195 HydrophobicContact CE1-CG 4.35Å; F193-Q195 HydrophobicContact CZ-CB 4.41Å; F193-K199 HydrophobicContact CE2-CD 3.88Å; F193-K199 HydrophobicContact CZ-CD 3.83Å; F193-H269 HydrophobicContact CD1-CB 4.07Å; F193-H269 HydrophobicContact CE1-CB 3.94Å; F193-E270 HydrophobicContact CB-CG 4.01Å; F193-E270 HydrophobicContact CD1-CG 3.9Å; F193-E270 HydrophobicContact CG-CG 4.07Å; F193-L273 HydrophobicContact CE1-CD1 4.25Å; F193-L273 HydrophobicContact CE2-CD1 4.09Å; F193-L273 HydrophobicContact CZ-CD1 3.47Å; F193-L273 VanDerWaalsContact CZ-CD1 3.47Å; F193-L273 HydrophobicContact CZ-CG 4.37Å
194	L	83.8	Confident	75.2	Confident	123 Å²	123	70.5 Å²	70.5	64%	0.644	37%	0.368	S	S	*	.			trans	-96.9	99.4	176.8	-63.8	175	0	0	0	110	Q192 K199	Q192-L194 PolarHBondContact O-N 2.91Å; L194-K199 PolarHBondContact O-NZ 3.32Å
195	Q	86.4	Confident	77.5	Confident	43 Å²	43	65.7 Å²	65.7	20%	0.201	36%	0.358	C	S	.	.			trans	-70.1	142.6	176.7	-176.1	60	-64.2	0	0	111.3	F193 I200 H269	F193-Q195 HydrophobicContact CD1-CB 4.39Å; F193-Q195 HydrophobicContact CE1-CB 3.76Å; F193-Q195 HydrophobicContact CE1-CG 4.35Å; F193-Q195 HydrophobicContact CZ-CB 4.41Å; Q195-I200 HydrophobicContact CG-CD1 4.18Å; Q195-I200 HydrophobicContact CG-CG1 4.44Å; Q195-H269 HydrophobicContact CB-CB 3.94Å; Q195-H269 HydrophobicContact CG-CB 4.12Å
196	T	90	Very high	79.9	Confident	64 Å²	64	65 Å²	65	39%	0.393	37%	0.371	S	S	.	.			trans	-138.9	155.2	172.7	69.8	0	0	0	0	110.4	Q198 K199 I200	T196-Q198 PolarHBondContact O-N 3.39Å; T196-K199 PolarHBondContact O-N 3.45Å; T196-K199 VanDerWaalsContact O-N 3.13Å; T196-K199 WeakPolarHBondContact OG1-CG 3.38Å; T196-K199 PolarHBondContact OG1-N 3.42Å; T196-I200 PolarHBondContact O-N 3.31Å
197	S	92.3	Very high	82.3	Confident	91 Å²	91	67.2 Å²	67.2	64%	0.636	37%	0.37	S	S	*	.	H	α-helix	trans	-53.8	-40.5	173	53.7	0	0	0	0	111.7	K199 I200 I201	S197-K199 VanDerWaalsContact C-N 3.35Å; S197-K199 PolarHBondContact O-N 3.22Å; S197-I200 PolarHBondContact O-N 2.89Å; S197-I200 VanDerWaalsContact O-N 3.16Å; S197-I201 WeakPolarHBondContact O-CG1 3.35Å; S197-I201 PolarHBondContact O-N 3.16Å
198	Q	92.1	Very high	84.6	Confident	105 Å²	105	68.3 Å²	68.3	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-60.7	-40.1	178.7	-171.7	63.3	10.5	0	0	113	T196 I200 I201 Q202	T196-Q198 PolarHBondContact O-N 3.39Å; Q198-I200 VanDerWaalsContact C-N 3.34Å; Q198-I201 PolarHBondContact O-N 2.98Å; Q198-Q202 WeakPolarHBondContact O-CB 3.28Å; Q198-Q202 VanDerWaalsContact O-CG 3.23Å; Q198-Q202 WeakPolarHBondContact O-CG 3.27Å; Q198-Q202 PolarHBondContact O-N 3.43Å
199	K	93.3	Very high	87	Confident	47 Å²	47	69.3 Å²	69.3	20%	0.204	39%	0.388	C	S	.	.	H	α-helix	trans	-65.4	-39.3	176.7	-74.3	176.5	179.2	179.9	0	111.2	F193 L194 T196 S197 F203	F193-K199 HydrophobicContact CE2-CD 3.88Å; F193-K199 HydrophobicContact CZ-CD 3.83Å; L194-K199 PolarHBondContact O-NZ 3.32Å; T196-K199 PolarHBondContact O-N 3.45Å; T196-K199 VanDerWaalsContact O-N 3.13Å; T196-K199 WeakPolarHBondContact OG1-CG 3.38Å; T196-K199 PolarHBondContact OG1-N 3.42Å; S197-K199 VanDerWaalsContact C-N 3.35Å; S197-K199 PolarHBondContact O-N 3.22Å; K199-F203 WeakPolarHBondContact O-CD2 3.43Å; K199-F203 PolarHBondContact O-N 3.27Å
200	I	94.1	Very high	89.2	Confident	47 Å²	47	73.1 Å²	73.1	24%	0.241	40%	0.4	C	S	.	.	H	α-helix	trans	-64.4	-49.3	175	-63.3	170.9	0	0	0	110.1	Q195 T196 S197 Q198 Q202 F203 A204 L276 I286	Q195-I200 HydrophobicContact CG-CD1 4.18Å; Q195-I200 HydrophobicContact CG-CG1 4.44Å; T196-I200 PolarHBondContact O-N 3.31Å; S197-I200 PolarHBondContact O-N 2.89Å; S197-I200 VanDerWaalsContact O-N 3.16Å; Q198-I200 VanDerWaalsContact C-N 3.34Å; I200-Q202 VanDerWaalsContact C-N 3.29Å; I200-Q202 PolarHBondContact O-N 3.26Å; I200-F203 CarbonylContact O-C 3.47Å; I200-F203 WeakPolarHBondContact O-CA 3.18Å; I200-F203 PolarHBondContact O-N 3.13Å; I200-A204 WeakPolarHBondContact O-CB 3.35Å; I200-A204 PolarHBondContact O-N 3.17Å; I200-L276 HydrophobicContact CG2-CD1 4.43Å; I200-I286 HydrophobicContact CD1-CD1 4.19Å
201	I	94.4	Very high	90.8	Very high	111 Å²	111	75.6 Å²	75.6	57%	0.569	42%	0.418	S	S	*	.	H	α-helix	trans	-57.3	-42.7	179	-69	165	0	0	0	111.3	S197 Q198 F203 A204	S197-I201 WeakPolarHBondContact O-CG1 3.35Å; S197-I201 PolarHBondContact O-N 3.16Å; Q198-I201 PolarHBondContact O-N 2.98Å; I201-F203 PolarHBondContact O-N 2.89Å; I201-A204 PolarHBondContact O-N 2.86Å
202	Q	93.8	Very high	91.7	Very high	67 Å²	67	78 Å²	78	31%	0.313	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-27.3	177.3	-76.1	172.6	-11.9	0	0	113.4	R43 Q198 I200	R43-Q202 WeakPolarHBondContact CD-O 3.35Å; Q198-Q202 WeakPolarHBondContact O-CB 3.28Å; Q198-Q202 VanDerWaalsContact O-CG 3.23Å; Q198-Q202 WeakPolarHBondContact O-CG 3.27Å; Q198-Q202 PolarHBondContact O-N 3.43Å; I200-Q202 VanDerWaalsContact C-N 3.29Å; I200-Q202 PolarHBondContact O-N 3.26Å
203	F	96.1	Very high	92.7	Very high	4 Å²	4	74.2 Å²	74.2	2%	0.018	43%	0.427	C	S	.	.	H	α-helix	trans	-98.3	-24	-179.2	-89.5	-110.3	0	0	0	113.4	N40 K84 W85 K199 I200 I201 L273 L276 A277	N40-F203 HydrophobicContact CB-CE2 3.95Å; N40-F203 HydrophobicContact CB-CZ 3.75Å; K84-F203 WeakPolarHBondContact CE-O 3.06Å; K84-F203 PolarHBondContact NZ-O 2.87Å; W85-F203 AromaticContact CH2-CD1 3.64Å; W85-F203 HydrophobicContact CH2-CD1 3.64Å; W85-F203 HydrophobicContact CH2-CD2 4.29Å; W85-F203 AromaticContact CH2-CE1 3.84Å; W85-F203 HydrophobicContact CH2-CE1 3.84Å; W85-F203 HydrophobicContact CH2-CE2 4.45Å; W85-F203 AromaticContact CH2-CG 3.9Å; W85-F203 HydrophobicContact CH2-CG 3.9Å; W85-F203 HydrophobicContact CH2-CZ 4.25Å; W85-F203 HydrophobicContact CZ3-CD1 4.29Å; W85-F203 HydrophobicContact CZ3-CE1 4.08Å; W85-F203 HydrophobicContact CZ3-CZ 4.49Å; K199-F203 WeakPolarHBondContact O-CD2 3.43Å; K199-F203 PolarHBondContact O-N 3.27Å; I200-F203 CarbonylContact O-C 3.47Å; I200-F203 WeakPolarHBondContact O-CA 3.18Å; I200-F203 PolarHBondContact O-N 3.13Å; I201-F203 PolarHBondContact O-N 2.89Å; F203-L273 HydrophobicContact CB-CD2 3.91Å; F203-L273 HydrophobicContact CD1-CB 3.97Å; F203-L273 HydrophobicContact CD1-CD2 4.19Å; F203-L273 WeakPolarHBondContact CD1-O 3.38Å; F203-L273 HydrophobicContact CD2-CD2 4.06Å; F203-L273 HydrophobicContact CE1-CB 3.98Å; F203-L273 WeakPolarHBondContact CE1-O 3.37Å; F203-L273 HydrophobicContact CE2-CD1 4.44Å; F203-L273 HydrophobicContact CG-CB 4.44Å; F203-L273 HydrophobicContact CG-CD2 3.8Å; F203-L273 HydrophobicContact CZ-CB 4.45Å; F203-L276 HydrophobicContact CB-CB 4.1Å; F203-L276 HydrophobicContact CB-CD1 4.22Å; F203-A277 HydrophobicContact CD1-CB 4.24Å; F203-A277 HydrophobicContact CE1-CB 4.1Å
204	A	94.8	Very high	93.5	Very high	28 Å²	28	75.7 Å²	75.7	23%	0.231	44%	0.437	C	S	.	.	S	Bend	trans	-75.2	154.1	-178.8	0	0	0	0	0	111.4	I200 I201 G206	I200-A204 WeakPolarHBondContact O-CB 3.35Å; I200-A204 PolarHBondContact O-N 3.17Å; I201-A204 PolarHBondContact O-N 2.86Å; A204-G206 VanDerWaalsContact C-N 3.33Å
205	S	89.4	Confident	94.2	Very high	52 Å²	52	70.1 Å²	70.1	36%	0.364	41%	0.409	S	S	.	.			trans	-73.6	-31.2	168.9	71.7	0	0	0	0	111.5	K207 S282	S205-K207 VanDerWaalsContact C-N 3.28Å; S205-K207 PolarHBondContact O-N 2.93Å; S205-K207 PolarHBondContact OG-N 3.02Å; S205-S282 PolarHBondContact OG-O 3.14Å
206	G	88.9	Confident	94.8	Very high	71 Å²	71	68.1 Å²	68.1	73%	0.732	40%	0.399	S	S	*	.			trans	71.4	17.3	-177.9	0	0	0	0	0	114.2	A204	A204-G206 VanDerWaalsContact C-N 3.33Å
207	K	94.3	Very high	95.2	Very high	150 Å²	150	65.1 Å²	65.1	65%	0.652	38%	0.381	S	S	*	.			trans	-104.9	132.1	-177.2	-61.8	-174.1	-179.1	-179.4	0	111.2	S205 Y244	S205-K207 VanDerWaalsContact C-N 3.28Å; S205-K207 PolarHBondContact O-N 2.93Å; S205-K207 PolarHBondContact OG-N 3.02Å; K207-Y244 VanDerWaalsContact O-CE2 3.28Å; K207-Y244 WeakPolarHBondContact O-CE2 3.43Å; K207-Y244 PolarHBondContact O-OH 3.46Å
208	E	96.4	Very high	95.5	Very high	151 Å²	151	60.8 Å²	60.8	71%	0.706	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-81.2	155.1	168.4	-63.9	178.1	142.3	0	0	110.9	Q210	E208-Q210 PolarHBondContact O-N 3.46Å; E208-Q210 PolarHBondContact O-NE2 2.93Å
209	P	96.9	Very high	95.8	Very high	59 Å²	59	56.2 Å²	56.2	38%	0.383	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-57.6	129	174.8	-17.5	27.1	0	0	0	111.5	V215 Y244	P209-V215 HydrophobicContact CB-CG2 3.97Å; P209-V215 HydrophobicContact CG-CG2 4.16Å; P209-Y244 HydrophobicContact CB-CD1 4.34Å; P209-Y244 HydrophobicContact CB-CD2 4.05Å; P209-Y244 HydrophobicContact CB-CE2 4.28Å; P209-Y244 HydrophobicContact CB-CG 4.09Å; P209-Y244 HydrophobicContact CG-CD1 3.81Å; P209-Y244 HydrophobicContact CG-CD2 4.09Å; P209-Y244 HydrophobicContact CG-CE1 3.64Å; P209-Y244 HydrophobicContact CG-CE2 3.93Å; P209-Y244 HydrophobicContact CG-CG 4.03Å
210	Q	97.2	Very high	96.1	Very high	100 Å²	100	54.7 Å²	54.7	47%	0.467	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-94.2	156.5	179	-59.4	-57.4	-54.4	0	0	111.8	E208 G212 E213	E208-Q210 PolarHBondContact O-N 3.46Å; E208-Q210 PolarHBondContact O-NE2 2.93Å; Q210-G212 PolarHBondContact O-N 2.79Å; Q210-E213 HydrophobicContact CB-CG 4.07Å; Q210-E213 PolarHBondContact N-OE2 2.83Å; Q210-E213 WeakPolarHBondContact O-CB 3.49Å; Q210-E213 WeakPolarHBondContact O-CG 3.33Å; Q210-E213 PolarHBondContact O-N 3.02Å
211	P	96.4	Very high	96.3	Very high	115 Å²	115	53 Å²	53	75%	0.747	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	129.6	171.4	-26.8	35.3	0	0	0	112.2	R242	P211-R242 PolarHBondContact O-NH1 3.48Å
212	G	95.6	Very high	96.4	Very high	66 Å²	66	48 Å²	48	68%	0.68	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	0.9	-177.1	0	0	0	0	0	115	Q210	Q210-G212 PolarHBondContact O-N 2.79Å
213	E	98.1	Very high	96.7	Very high	48 Å²	48	45 Å²	45	22%	0.224	28%	0.282	C	S	.	.			trans	-85	145.4	167.9	-59.4	-171.4	151.9	0	0	110.9	Q210 R242	Q210-E213 HydrophobicContact CB-CG 4.07Å; Q210-E213 PolarHBondContact N-OE2 2.83Å; Q210-E213 WeakPolarHBondContact O-CB 3.49Å; Q210-E213 WeakPolarHBondContact O-CG 3.33Å; Q210-E213 PolarHBondContact O-N 3.02Å; E213-R242 CarbonylContact C-O 3.59Å; E213-R242 VanDerWaalsContact CA-O 3.23Å; E213-R242 WeakPolarHBondContact CA-O 3.37Å; E213-R242 HydrophobicContact CG-CB 4.14Å; E213-R242 IonicContact OE1-NH2 3.45Å; E213-R242 PolarHBondContact OE1-NH2 2.92Å
214	T	98.7	Very high	96.7	Very high	47 Å²	47	44.8 Å²	44.8	29%	0.288	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.5	176.1	-54	0	0	0	0	109.3	I216 A240 R242 Y244 D303	T214-I216 HydrophobicContact CG2-CG1 4.1Å; T214-I216 PolarHBondContact O-N 3.2Å; T214-A240 HydrophobicContact CG2-CB 4.15Å; T214-R242 PolarHBondContact N-O 3.37Å; T214-Y244 PolarHBondContact O-N 2.96Å; T214-D303 WeakPolarHBondContact CA-OD2 3.48Å; T214-D303 HydrophobicContact CG2-CB 3.81Å
215	V	98.8	Very high	96.9	Very high	7 Å²	7	44 Å²	44	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.2	179.7	-176.8	0	0	0	0	109.6	P209 Y244 I246 V302 D303 L304	P209-V215 HydrophobicContact CB-CG2 3.97Å; P209-V215 HydrophobicContact CG-CG2 4.16Å; V215-Y244 WeakPolarHBondContact CA-O 3.43Å; V215-Y244 HydrophobicContact CG1-CD1 4.45Å; V215-I246 HydrophobicContact CG1-CD1 3.65Å; V215-I246 HydrophobicContact CG1-CG1 4.21Å; V215-V302 HydrophobicContact CG1-CG2 4.41Å; V215-D303 PolarHBondContact N-OD2 3.18Å; V215-D303 PolarHBondContact O-N 3.34Å; V215-L304 PolarHBondContact O-N 2.9Å
216	I	98.9	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.5	-177.8	-50.6	171.1	0	0	0	109.4	T214 V236 L239 A240 P243 Y244 I245 I246 L304	T214-I216 HydrophobicContact CG2-CG1 4.1Å; T214-I216 PolarHBondContact O-N 3.2Å; I216-V236 HydrophobicContact CB-CG1 4.38Å; I216-V236 HydrophobicContact CD1-CG1 4.33Å; I216-V236 HydrophobicContact CG2-CG1 3.57Å; I216-L239 HydrophobicContact CD1-CB 4.35Å; I216-A240 HydrophobicContact CD1-CB 4.43Å; I216-P243 HydrophobicContact CD1-CB 4.08Å; I216-Y244 PolarHBondContact N-O 3.21Å; I216-I245 HydrophobicContact CB-CG1 4.29Å; I216-I245 WeakPolarHBondContact O-CA 3.41Å; I216-I246 PolarHBondContact O-N 2.87Å; I216-L304 CarbonylContact C-O 3.47Å; I216-L304 WeakPolarHBondContact CA-O 3.4Å; I216-L304 HydrophobicContact CG1-CB 4.22Å; I216-L304 HydrophobicContact CG2-CB 4.24Å
217	Y	98.9	Very high	97.7	Very high	1 Å²	1	39 Å²	39	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.7	177.5	-175.6	-103.4	0	0	0	111.6	A219 I246 V285 A288 V292 L296 L304 V305 C306	Y217-A219 HydrophobicContact CE1-CB 3.78Å; Y217-I246 WeakPolarHBondContact CA-O 3.37Å; Y217-I246 HydrophobicContact CD2-CB 4.05Å; Y217-I246 HydrophobicContact CD2-CG2 3.9Å; Y217-I246 HydrophobicContact CE2-CG2 4.19Å; Y217-V285 HydrophobicContact CE2-CG2 4.13Å; Y217-A288 WeakPolarHBondContact OH-CB 3.37Å; Y217-V292 HydrophobicContact CD1-CG1 4.23Å; Y217-V292 HydrophobicContact CE1-CG1 4.24Å; Y217-V292 HydrophobicContact CE1-CG2 4.11Å; Y217-L296 HydrophobicContact CD1-CD2 4.1Å; Y217-L296 HydrophobicContact CD2-CD2 4.07Å; Y217-L296 HydrophobicContact CE1-CD1 4.43Å; Y217-L296 HydrophobicContact CE1-CD2 3.91Å; Y217-L296 HydrophobicContact CE2-CD1 4.29Å; Y217-L296 HydrophobicContact CE2-CD2 3.89Å; Y217-L296 HydrophobicContact CG-CD2 4.17Å; Y217-L304 PolarHBondContact N-O 3.16Å; Y217-V305 HydrophobicContact CD1-CG1 4.44Å; Y217-V305 CarbonylContact O-C 3.47Å; Y217-V305 VanDerWaalsContact O-CA 3.31Å; Y217-V305 WeakPolarHBondContact O-CA 3.46Å; Y217-C306 PolarHBondContact O-N 3.4Å
218	V	98.9	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.8	171.4	-60.2	0	0	0	0	108.9	F222 F232 L233 V236 I245 I246 A247 G248 C306	V218-F222 HydrophobicContact CG2-CZ 4.02Å; V218-F232 HydrophobicContact CB-CE1 3.87Å; V218-F232 HydrophobicContact CB-CZ 4.07Å; V218-F232 HydrophobicContact CG1-CE1 3.78Å; V218-F232 HydrophobicContact CG1-CZ 3.64Å; V218-F232 HydrophobicContact CG2-CE1 4.26Å; V218-L233 HydrophobicContact CG2-CD2 3.96Å; V218-V236 HydrophobicContact CG1-CG1 4.16Å; V218-V236 HydrophobicContact CG1-CG2 4.32Å; V218-I245 HydrophobicContact CG2-CG2 4.24Å; V218-I246 PolarHBondContact N-O 3.23Å; V218-A247 HydrophobicContact CG2-CB 4.07Å; V218-A247 CarbonylContact O-C 3.47Å; V218-A247 WeakPolarHBondContact O-CA 3.4Å; V218-G248 PolarHBondContact O-N 3.43Å; V218-C306 HydrophobicContact CG1-CB 3.89Å
219	A	98.6	Very high	98	Very high	9 Å²	9	26.7 Å²	26.7	7%	0.074	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	151.3	-178.3	0	0	0	0	0	112.9	Y217 G248	Y217-A219 HydrophobicContact CE1-CB 3.78Å; A219-G248 WeakPolarHBondContact CA-O 3.31Å
220	G	98.3	Very high	98.1	Very high	15 Å²	15	23.9 Å²	23.9	16%	0.155	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.9	-168.2	174.3	0	0	0	0	0	114.1	G248 H250	G220-G248 PolarHBondContact N-O 3.48Å; G220-H250 PolarHBondContact O-N 2.88Å; G220-H250 VanDerWaalsContact O-N 3.12Å
221	A	98.2	Very high	98.2	Very high	12 Å²	12	20 Å²	20	10%	0.099	14%	0.135	C	C	.	.			trans	-66.5	-52.4	171.1	0	0	0	0	0	111.1	D223 V255 Y258 R271	A221-D223 HydrophobicContact CB-CB 4.16Å; A221-D223 PolarHBondContact O-N 3.46Å; A221-V255 HydrophobicContact CB-CG1 3.89Å; A221-V255 HydrophobicContact CB-CG2 3.96Å; A221-Y258 WeakPolarHBondContact CB-OH 3.36Å; A221-Y258 PolarHBondContact N-OH 2.7Å; A221-R271 VanDerWaalsContact O-CD 3.3Å; A221-R271 WeakPolarHBondContact O-CD 3.41Å; A221-R271 PolarHBondContact O-NH1 2.83Å
222	F	98.4	Very high	98.3	Very high	7 Å²	7	15.5 Å²	15.5	3%	0.031	10%	0.104	C	C	.	.			trans	50.9	36.4	-165.6	-62.4	-85.9	0	0	0	112.7	V218 F225 H229 L233 L249 V275	V218-F222 HydrophobicContact CG2-CZ 4.02Å; F222-F225 HydrophobicContact CB-CD2 4.34Å; F222-F225 HydrophobicContact CD1-CD2 4Å; F222-F225 AromaticContact CD1-CE2 3.98Å; F222-F225 HydrophobicContact CD1-CE2 3.98Å; F222-H229 HydrophobicContact CD1-CB 4.11Å; F222-H229 AromaticContact CD1-CD2 3.62Å; F222-H229 AromaticContact CD1-CG 3.82Å; F222-H229 HydrophobicContact CE1-CB 4.35Å; F222-H229 AromaticContact CE1-CD2 3.97Å; F222-L233 HydrophobicContact CE1-CD1 4.42Å; F222-L249 HydrophobicContact CB-CD2 3.92Å; F222-L249 HydrophobicContact CD2-CD2 3.48Å; F222-L249 VanDerWaalsContact CD2-CD2 3.48Å; F222-L249 HydrophobicContact CE2-CD2 4.33Å; F222-L249 HydrophobicContact CG-CD2 4Å; F222-V275 HydrophobicContact CB-CG2 3.61Å; F222-V275 HydrophobicContact CD1-CG2 4.3Å; F222-V275 HydrophobicContact CG-CG2 4.01Å
223	D	98.2	Very high	98.4	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.016	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	140.4	177.7	-172.6	25.5	0	0	0	111	A221 F225 P264 I265 M266 T342	A221-D223 HydrophobicContact CB-CB 4.16Å; A221-D223 PolarHBondContact O-N 3.46Å; D223-F225 VanDerWaalsContact C-N 3.34Å; D223-F225 PolarHBondContact O-N 3.27Å; D223-P264 HydrophobicContact CB-CB 4.14Å; D223-P264 VanDerWaalsContact OD2-CA 3.22Å; D223-P264 WeakPolarHBondContact OD2-CA 3.17Å; D223-P264 WeakPolarHBondContact OD2-CB 3.28Å; D223-I265 VanDerWaalsContact CG-N 3.35Å; D223-I265 PolarHBondContact OD1-N 3.48Å; D223-I265 PolarHBondContact OD2-N 3.43Å; D223-M266 WeakPolarHBondContact OD1-CB 3.41Å; D223-M266 PolarHBondContact OD1-N 3.17Å; D223-T342 HydrophobicContact CB-CG2 4.23Å; D223-T342 PolarHBondContact O-OG1 3.21Å
224	L	97	Very high	98.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	57.6	-165.8	-62.3	179.8	0	0	0	111.9	L149 M153 H226 I265 M266 T342 I345	L149-L224 HydrophobicContact CD2-CD2 4.39Å; M153-L224 HydrophobicContact CE-CD1 3.44Å; M153-L224 VanDerWaalsContact CE-CD1 3.44Å; M153-L224 HydrophobicContact CE-CD2 3.84Å; M153-L224 HydrophobicContact CE-CG 4.3Å; M153-L224 HydrophobicContact CG-CD1 4.37Å; M153-L224 HydrophobicContact SD-CD1 3.87Å; L224-H226 VanDerWaalsContact O-CB 3.23Å; L224-H226 WeakPolarHBondContact O-CB 3.39Å; L224-H226 PolarHBondContact O-CD2 2.89Å; L224-H226 PolarHBondContact O-N 2.87Å; L224-H226 VanDerWaalsContact O-N 3.15Å; L224-I265 HydrophobicContact CD1-CB 4.35Å; L224-I265 HydrophobicContact CD1-CG1 4.03Å; L224-I265 HydrophobicContact CD1-CG2 4.46Å; L224-I265 HydrophobicContact CD2-CB 4Å; L224-I265 HydrophobicContact CD2-CG2 3.78Å; L224-I265 HydrophobicContact CG-CB 3.98Å; L224-I265 HydrophobicContact CG-CG1 4.13Å; L224-I265 HydrophobicContact CG-CG2 4.25Å; L224-M266 HydrophobicContact CD2-CE 3.81Å; L224-M266 HydrophobicContact CD2-CG 4.1Å; L224-M266 HydrophobicContact CD2-SD 4.21Å; L224-T342 HydrophobicContact CB-CG2 4.15Å; L224-T342 HydrophobicContact CD1-CG2 3.84Å; L224-T342 HydrophobicContact CG-CG2 4.02Å; L224-I345 HydrophobicContact CD1-CG2 4.09Å
225	F	98.5	Very high	98.5	Very high	10 Å²	10	13 Å²	13	4%	0.044	7%	0.07	C	C	.	.			trans	-41.8	122.4	-175	-172.2	-98.6	0	0	0	112.6	M79 F222 D223 H229 V230 L233 V275 C278	M79-F225 HydrophobicContact CE-CD1 3.74Å; M79-F225 HydrophobicContact CE-CE1 4.1Å; M79-F225 WeakPolarHBondContact CE-O 3.44Å; F222-F225 HydrophobicContact CB-CD2 4.34Å; F222-F225 HydrophobicContact CD1-CD2 4Å; F222-F225 AromaticContact CD1-CE2 3.98Å; F222-F225 HydrophobicContact CD1-CE2 3.98Å; D223-F225 VanDerWaalsContact C-N 3.34Å; D223-F225 PolarHBondContact O-N 3.27Å; F225-H229 HydrophobicContact CD2-CB 3.78Å; F225-H229 AromaticContact CD2-ND1 3.99Å; F225-H229 HydrophobicContact CE2-CB 3.49Å; F225-H229 VanDerWaalsContact CE2-CB 3.49Å; F225-H229 HydrophobicContact CZ-CB 4.11Å; F225-V230 HydrophobicContact CE1-CG2 3.85Å; F225-V230 HydrophobicContact CZ-CG2 4.11Å; F225-L233 HydrophobicContact CE2-CD1 3.78Å; F225-L233 HydrophobicContact CZ-CD1 3.77Å; F225-V275 HydrophobicContact CD2-CG2 3.69Å; F225-V275 HydrophobicContact CE2-CG2 4.07Å; F225-V275 HydrophobicContact CG-CG2 4.38Å; F225-C278 HydrophobicContact CE1-CB 3.98Å; F225-C278 HydrophobicContact CZ-CB 3.79Å
226	H	98.4	Very high	98.5	Very high	7 Å²	7	12.7 Å²	12.7	3%	0.032	7%	0.068	C	C	.	.			trans	-146.5	175	-158.6	55.3	64.3	0	0	0	111.6	L224 G228 H229 V230 L340 T342 I345	L224-H226 VanDerWaalsContact O-CB 3.23Å; L224-H226 WeakPolarHBondContact O-CB 3.39Å; L224-H226 PolarHBondContact O-CD2 2.89Å; L224-H226 PolarHBondContact O-N 2.87Å; L224-H226 VanDerWaalsContact O-N 3.15Å; H226-G228 VanDerWaalsContact C-N 3.28Å; H226-G228 PolarHBondContact ND1-N 3.18Å; H226-G228 PolarHBondContact O-N 3.32Å; H226-H229 AromaticContact CD2-CE1 3.52Å; H226-H229 AromaticContact CD2-ND1 3.58Å; H226-H229 AromaticContact CE1-CE1 3.36Å; H226-H229 PolarHBondContact CE1-CE1 3.39Å; H226-H229 AromaticContact CE1-CG 3.89Å; H226-H229 AromaticContact CE1-ND1 3.39Å; H226-H229 PolarHBondContact CE1-ND1 3.22Å; H226-H229 AromaticContact CE1-NE2 3.84Å; H226-H229 AromaticContact CG-CE1 3.99Å; H226-H229 AromaticContact CG-ND1 3.58Å; H226-H229 PolarHBondContact N-ND1 3.15Å; H226-H229 AromaticContact ND1-CE1 3.88Å; H226-H229 AromaticContact ND1-CG 3.96Å; H226-H229 AromaticContact ND1-ND1 3.46Å; H226-H229 PolarHBondContact ND1-ND1 2.71Å; H226-H229 AromaticContact NE2-CE1 3.1Å; H226-H229 PolarHBondContact NE2-CE1 3.44Å; H226-H229 AromaticContact NE2-ND1 3.48Å; H226-H229 PolarHBondContact NE2-ND1 3.1Å; H226-H229 AromaticContact NE2-NE2 3.82Å; H226-H229 WeakPolarHBondContact O-CA 3.45Å; H226-H229 WeakPolarHBondContact O-CB 3.43Å; H226-H229 PolarHBondContact O-N 3.36Å; H226-V230 PolarHBondContact O-N 3.44Å; H226-L340 HydrophobicContact CB-CD2 4.18Å; H226-L340 PolarHBondContact CE1-O 3.46Å; H226-T342 PolarHBondContact NE2-N 3.46Å; H226-I345 HydrophobicContact CB-CD1 3.47Å; H226-I345 VanDerWaalsContact CB-CD1 3.47Å; H226-I345 WeakPolarHBondContact CD2-CD1 3.42Å
227	I	97.7	Very high	98.5	Very high	13 Å²	13	15.9 Å²	15.9	7%	0.067	8%	0.083	C	C	.	.	H	α-helix	trans	-61	-32.4	-171.6	-157.3	72.2	0	0	0	114.3	E75 K78 M79 H229 V230 D231 L340	E75-I227 HydrophobicContact CG-CG2 4.49Å; K78-I227 HydrophobicContact CB-CD1 3.57Å; K78-I227 HydrophobicContact CB-CG1 4.35Å; K78-I227 HydrophobicContact CD-CD1 3.72Å; K78-I227 HydrophobicContact CD-CG1 3.92Å; K78-I227 HydrophobicContact CG-CD1 3.6Å; K78-I227 HydrophobicContact CG-CG1 4.35Å; M79-I227 HydrophobicContact CB-CD1 4.12Å; M79-I227 HydrophobicContact SD-CD1 4.41Å; I227-H229 VanDerWaalsContact C-N 3.27Å; I227-H229 PolarHBondContact O-N 3.48Å; I227-V230 HydrophobicContact CD1-CB 4.03Å; I227-V230 HydrophobicContact CD1-CG1 4.1Å; I227-V230 HydrophobicContact CD1-CG2 4.37Å; I227-V230 WeakPolarHBondContact O-CB 3.22Å; I227-V230 PolarHBondContact O-N 2.93Å; I227-V230 VanDerWaalsContact O-N 3.12Å; I227-D231 WeakPolarHBondContact O-CB 3.35Å; I227-D231 VanDerWaalsContact O-CG 3.3Å; I227-D231 PolarHBondContact O-N 2.95Å; I227-L340 HydrophobicContact CG2-CD2 3.69Å
228	G	98.1	Very high	98.4	Very high	7 Å²	7	23.9 Å²	23.9	7%	0.072	11%	0.113	C	C	.	.	H	α-helix	trans	-58.8	-35.7	171.6	0	0	0	0	0	114.2	H226 F232 S338	H226-G228 VanDerWaalsContact C-N 3.28Å; H226-G228 PolarHBondContact ND1-N 3.18Å; H226-G228 PolarHBondContact O-N 3.32Å; G228-F232 WeakPolarHBondContact O-CB 3.49Å; G228-F232 PolarHBondContact O-N 3.04Å; G228-S338 WeakPolarHBondContact CA-OG 3.39Å
229	H	98.8	Very high	98.4	Very high	34 Å²	34	27.6 Å²	27.6	16%	0.157	13%	0.132	C	C	.	.	H	α-helix	trans	-72.9	-39.7	174	-61.4	126.5	0	0	0	111.3	F222 F225 H226 I227 F232 L233	F222-H229 HydrophobicContact CD1-CB 4.11Å; F222-H229 AromaticContact CD1-CD2 3.62Å; F222-H229 AromaticContact CD1-CG 3.82Å; F222-H229 HydrophobicContact CE1-CB 4.35Å; F222-H229 AromaticContact CE1-CD2 3.97Å; F225-H229 HydrophobicContact CD2-CB 3.78Å; F225-H229 AromaticContact CD2-ND1 3.99Å; F225-H229 HydrophobicContact CE2-CB 3.49Å; F225-H229 VanDerWaalsContact CE2-CB 3.49Å; F225-H229 HydrophobicContact CZ-CB 4.11Å; H226-H229 AromaticContact CD2-CE1 3.52Å; H226-H229 AromaticContact CD2-ND1 3.58Å; H226-H229 AromaticContact CE1-CE1 3.36Å; H226-H229 PolarHBondContact CE1-CE1 3.39Å; H226-H229 AromaticContact CE1-CG 3.89Å; H226-H229 AromaticContact CE1-ND1 3.39Å; H226-H229 PolarHBondContact CE1-ND1 3.22Å; H226-H229 AromaticContact CE1-NE2 3.84Å; H226-H229 AromaticContact CG-CE1 3.99Å; H226-H229 AromaticContact CG-ND1 3.58Å; H226-H229 PolarHBondContact N-ND1 3.15Å; H226-H229 AromaticContact ND1-CE1 3.88Å; H226-H229 AromaticContact ND1-CG 3.96Å; H226-H229 AromaticContact ND1-ND1 3.46Å; H226-H229 PolarHBondContact ND1-ND1 2.71Å; H226-H229 AromaticContact NE2-CE1 3.1Å; H226-H229 PolarHBondContact NE2-CE1 3.44Å; H226-H229 AromaticContact NE2-ND1 3.48Å; H226-H229 PolarHBondContact NE2-ND1 3.1Å; H226-H229 AromaticContact NE2-NE2 3.82Å; H226-H229 WeakPolarHBondContact O-CA 3.45Å; H226-H229 WeakPolarHBondContact O-CB 3.43Å; H226-H229 PolarHBondContact O-N 3.36Å; I227-H229 VanDerWaalsContact C-N 3.27Å; I227-H229 PolarHBondContact O-N 3.48Å; H229-F232 PolarHBondContact O-N 3.35Å; H229-L233 WeakPolarHBondContact O-CB 3.27Å; H229-L233 VanDerWaalsContact O-CG 3.28Å; H229-L233 WeakPolarHBondContact O-CG 3.28Å; H229-L233 PolarHBondContact O-N 3.05Å
230	V	98.8	Very high	98.4	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-47.8	175.3	172.8	0	0	0	0	110.7	M79 A82 F225 H226 I227 F232 L233 E234 Y280	M79-V230 HydrophobicContact CE-CG2 4.47Å; M79-V230 HydrophobicContact SD-CG2 3.78Å; A82-V230 HydrophobicContact CB-CB 4.3Å; A82-V230 HydrophobicContact CB-CG1 3.46Å; A82-V230 VanDerWaalsContact CB-CG1 3.46Å; A82-V230 HydrophobicContact CB-CG2 3.79Å; F225-V230 HydrophobicContact CE1-CG2 3.85Å; F225-V230 HydrophobicContact CZ-CG2 4.11Å; H226-V230 PolarHBondContact O-N 3.44Å; I227-V230 HydrophobicContact CD1-CB 4.03Å; I227-V230 HydrophobicContact CD1-CG1 4.1Å; I227-V230 HydrophobicContact CD1-CG2 4.37Å; I227-V230 WeakPolarHBondContact O-CB 3.22Å; I227-V230 PolarHBondContact O-N 2.93Å; I227-V230 VanDerWaalsContact O-N 3.12Å; V230-F232 VanDerWaalsContact C-N 3.33Å; V230-F232 PolarHBondContact O-N 3.22Å; V230-L233 PolarHBondContact O-N 3.36Å; V230-E234 VanDerWaalsContact O-CB 3.29Å; V230-E234 WeakPolarHBondContact O-CB 3.43Å; V230-E234 PolarHBondContact O-N 3.06Å; V230-Y280 HydrophobicContact CG1-CE2 4.07Å
231	D	98.7	Very high	98.3	Very high	19 Å²	19	35.4 Å²	35.4	10%	0.102	17%	0.172	C	C	.	.	H	α-helix	trans	-65	-37.7	-178.7	-71.5	7.4	0	0	0	112.2	K78 I227 K235	K78-D231 WeakPolarHBondContact CE-OD1 3.22Å; K78-D231 IonicContact NZ-OD1 2.72Å; K78-D231 PolarHBondContact NZ-OD1 3.11Å; K78-D231 IonicContact NZ-OD2 2.99Å; K78-D231 PolarHBondContact NZ-OD2 3.29Å; K78-D231 VanDerWaalsContact NZ-OD2 3.1Å; I227-D231 WeakPolarHBondContact O-CB 3.35Å; I227-D231 VanDerWaalsContact O-CG 3.3Å; I227-D231 PolarHBondContact O-N 2.95Å; D231-K235 WeakPolarHBondContact O-CG 3.25Å; D231-K235 PolarHBondContact O-N 2.97Å
232	F	98.8	Very high	98.3	Very high	19 Å²	19	40.5 Å²	40.5	8%	0.083	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-53.8	171.6	168.2	-113.1	0	0	0	111.1	V218 G228 H229 V230 E234 K235 V236 C306 I334	V218-F232 HydrophobicContact CB-CE1 3.87Å; V218-F232 HydrophobicContact CB-CZ 4.07Å; V218-F232 HydrophobicContact CG1-CE1 3.78Å; V218-F232 HydrophobicContact CG1-CZ 3.64Å; V218-F232 HydrophobicContact CG2-CE1 4.26Å; G228-F232 WeakPolarHBondContact O-CB 3.49Å; G228-F232 PolarHBondContact O-N 3.04Å; H229-F232 PolarHBondContact O-N 3.35Å; V230-F232 VanDerWaalsContact C-N 3.33Å; V230-F232 PolarHBondContact O-N 3.22Å; F232-E234 VanDerWaalsContact C-N 3.33Å; F232-E234 PolarHBondContact O-N 2.88Å; F232-K235 PolarHBondContact O-N 3.48Å; F232-V236 HydrophobicContact CD2-CG2 3.98Å; F232-V236 HydrophobicContact CE1-CG2 4.22Å; F232-V236 HydrophobicContact CE2-CG2 3.57Å; F232-V236 HydrophobicContact CG-CG2 4.47Å; F232-V236 HydrophobicContact CZ-CG2 3.71Å; F232-V236 VanDerWaalsContact O-CG2 3.3Å; F232-V236 WeakPolarHBondContact O-CG2 3.39Å; F232-V236 PolarHBondContact O-N 3.37Å; F232-C306 HydrophobicContact CE2-CB 4.45Å; F232-C306 HydrophobicContact CZ-CB 4.27Å; F232-I334 HydrophobicContact CD2-CB 4.23Å; F232-I334 HydrophobicContact CD2-CG2 4.32Å; F232-I334 HydrophobicContact CE2-CB 4.05Å
233	L	98.8	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-36.6	-177.7	-71.4	167.4	0	0	0	112.4	V218 F222 F225 H229 V230 K235 V236 H237 I245 Y280 V281	V218-L233 HydrophobicContact CG2-CD2 3.96Å; F222-L233 HydrophobicContact CE1-CD1 4.42Å; F225-L233 HydrophobicContact CE2-CD1 3.78Å; F225-L233 HydrophobicContact CZ-CD1 3.77Å; H229-L233 WeakPolarHBondContact O-CB 3.27Å; H229-L233 VanDerWaalsContact O-CG 3.28Å; H229-L233 WeakPolarHBondContact O-CG 3.28Å; H229-L233 PolarHBondContact O-N 3.05Å; V230-L233 PolarHBondContact O-N 3.36Å; L233-K235 PolarHBondContact O-N 3.32Å; L233-V236 PolarHBondContact O-N 2.85Å; L233-H237 VanDerWaalsContact O-CB 3.27Å; L233-H237 WeakPolarHBondContact O-CB 3.5Å; L233-H237 PolarHBondContact O-N 3.25Å; L233-I245 HydrophobicContact CD2-CG2 4.08Å; L233-Y280 HydrophobicContact CB-CD2 4.26Å; L233-V281 HydrophobicContact CD1-CG2 3.87Å; L233-V281 HydrophobicContact CD2-CG2 4.36Å
234	E	98.8	Very high	98.3	Very high	37 Å²	37	41.4 Å²	41.4	17%	0.173	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-44.9	174.4	-178.7	-178.6	-159.6	0	0	111.1	V230 F232 H237 R238 Y280	V230-E234 VanDerWaalsContact O-CB 3.29Å; V230-E234 WeakPolarHBondContact O-CB 3.43Å; V230-E234 PolarHBondContact O-N 3.06Å; F232-E234 VanDerWaalsContact C-N 3.33Å; F232-E234 PolarHBondContact O-N 2.88Å; E234-H237 WeakPolarHBondContact O-CB 3.36Å; E234-H237 PolarHBondContact O-N 3.18Å; E234-R238 VanDerWaalsContact CD-NH2 3.28Å; E234-R238 WeakPolarHBondContact O-CG 3.34Å; E234-R238 PolarHBondContact O-N 3.13Å; E234-R238 IonicContact OE1-CZ 3.77Å; E234-R238 IonicContact OE1-NH2 3Å; E234-R238 PolarHBondContact OE1-NH2 3.31Å; E234-R238 IonicContact OE2-NH2 3.43Å; E234-Y280 HydrophobicContact CB-CD2 4.15Å; E234-Y280 HydrophobicContact CB-CE1 4.37Å; E234-Y280 HydrophobicContact CB-CE2 3.64Å; E234-Y280 HydrophobicContact CG-CE1 4.23Å; E234-Y280 HydrophobicContact CG-CE2 4.16Å
235	K	98.7	Very high	98.4	Very high	73 Å²	73	41.4 Å²	41.4	32%	0.317	19%	0.194	S	C	.	.	H	α-helix	trans	-71.4	-36.2	178.1	-70.9	-176.8	-171.2	-174.8	0	112.3	D231 F232 L233 H237 R238 I334 D335 S336	D231-K235 WeakPolarHBondContact O-CG 3.25Å; D231-K235 PolarHBondContact O-N 2.97Å; F232-K235 PolarHBondContact O-N 3.48Å; L233-K235 PolarHBondContact O-N 3.32Å; K235-H237 VanDerWaalsContact C-N 3.31Å; K235-R238 PolarHBondContact O-N 2.92Å; K235-I334 HydrophobicContact CB-CG2 3.69Å; K235-I334 HydrophobicContact CD-CG2 4.46Å; K235-D335 WeakPolarHBondContact CD-O 3.45Å; K235-D335 WeakPolarHBondContact CE-O 3.4Å; K235-D335 PolarHBondContact NZ-O 3.43Å; K235-S336 WeakPolarHBondContact CE-O 3.43Å; K235-S336 PolarHBondContact NZ-O 2.95Å
236	V	98.7	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-42.2	171.7	173.3	0	0	0	0	110.6	I216 V218 F232 L233 R238 L239 I245 C306 I334	I216-V236 HydrophobicContact CB-CG1 4.38Å; I216-V236 HydrophobicContact CD1-CG1 4.33Å; I216-V236 HydrophobicContact CG2-CG1 3.57Å; V218-V236 HydrophobicContact CG1-CG1 4.16Å; V218-V236 HydrophobicContact CG1-CG2 4.32Å; F232-V236 HydrophobicContact CD2-CG2 3.98Å; F232-V236 HydrophobicContact CE1-CG2 4.22Å; F232-V236 HydrophobicContact CE2-CG2 3.57Å; F232-V236 HydrophobicContact CG-CG2 4.47Å; F232-V236 HydrophobicContact CZ-CG2 3.71Å; F232-V236 VanDerWaalsContact O-CG2 3.3Å; F232-V236 WeakPolarHBondContact O-CG2 3.39Å; F232-V236 PolarHBondContact O-N 3.37Å; L233-V236 PolarHBondContact O-N 2.85Å; V236-R238 PolarHBondContact O-N 3.18Å; V236-L239 HydrophobicContact CG1-CD1 4.45Å; V236-L239 VanDerWaalsContact O-CB 3.28Å; V236-L239 WeakPolarHBondContact O-CB 3.23Å; V236-L239 WeakPolarHBondContact O-CG 3.37Å; V236-L239 PolarHBondContact O-N 2.92Å; V236-I245 HydrophobicContact CB-CD1 4.36Å; V236-I245 HydrophobicContact CG1-CD1 3.87Å; V236-I245 HydrophobicContact CG1-CG1 4.21Å; V236-C306 HydrophobicContact CG1-CB 4.4Å; V236-C306 HydrophobicContact CG2-CB 3.86Å; V236-I334 HydrophobicContact CG2-CB 4.47Å; V236-I334 HydrophobicContact CG2-CG1 4.15Å; V236-I334 HydrophobicContact CG2-CG2 4.44Å
237	H	98.6	Very high	98.4	Very high	66 Å²	66	40.7 Å²	40.7	31%	0.306	19%	0.191	S	C	.	.	H	α-helix	trans	-61.6	-25.7	177.3	-173.6	-71.9	0	0	0	112.6	L233 E234 K235 L239 P243 I245 Y280	L233-H237 VanDerWaalsContact O-CB 3.27Å; L233-H237 WeakPolarHBondContact O-CB 3.5Å; L233-H237 PolarHBondContact O-N 3.25Å; E234-H237 WeakPolarHBondContact O-CB 3.36Å; E234-H237 PolarHBondContact O-N 3.18Å; K235-H237 VanDerWaalsContact C-N 3.31Å; H237-L239 VanDerWaalsContact C-N 3.29Å; H237-L239 PolarHBondContact O-N 3.43Å; H237-P243 HydrophobicContact CB-CG 4.44Å; H237-P243 VanDerWaalsContact CD2-CG 3.45Å; H237-P243 WeakPolarHBondContact CD2-CG 3.41Å; H237-P243 VanDerWaalsContact CE1-CG 3.48Å; H237-P243 WeakPolarHBondContact CE1-CG 3.31Å; H237-P243 WeakPolarHBondContact NE2-CG 3.42Å; H237-P243 WeakPolarHBondContact O-CG 3.49Å; H237-I245 HydrophobicContact CB-CD1 3.78Å; H237-Y280 HydrophobicContact CB-CD1 3.98Å; H237-Y280 HydrophobicContact CB-CG 4.4Å; H237-Y280 AromaticContact CD2-CD1 3.75Å; H237-Y280 AromaticContact CG-CD1 3.81Å
238	R	98.3	Very high	98.5	Very high	169 Å²	169	40.1 Å²	40.1	64%	0.638	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.4	177.2	-65.9	171.8	-170.5	-173.1	2.8	114.1	E234 K235 V236 A240	E234-R238 VanDerWaalsContact CD-NH2 3.28Å; E234-R238 WeakPolarHBondContact O-CG 3.34Å; E234-R238 PolarHBondContact O-N 3.13Å; E234-R238 IonicContact OE1-CZ 3.77Å; E234-R238 IonicContact OE1-NH2 3Å; E234-R238 PolarHBondContact OE1-NH2 3.31Å; E234-R238 IonicContact OE2-NH2 3.43Å; K235-R238 PolarHBondContact O-N 2.92Å; V236-R238 PolarHBondContact O-N 3.18Å; R238-A240 VanDerWaalsContact C-N 3.28Å; R238-A240 PolarHBondContact O-N 2.98Å
239	L	98	Very high	98.5	Very high	78 Å²	78	39.8 Å²	39.8	41%	0.408	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.4	-179.1	-63.3	175.2	0	0	0	113.7	I216 V236 H237 L304 C306 I334	I216-L239 HydrophobicContact CD1-CB 4.35Å; V236-L239 HydrophobicContact CG1-CD1 4.45Å; V236-L239 VanDerWaalsContact O-CB 3.28Å; V236-L239 WeakPolarHBondContact O-CB 3.23Å; V236-L239 WeakPolarHBondContact O-CG 3.37Å; V236-L239 PolarHBondContact O-N 2.92Å; H237-L239 VanDerWaalsContact C-N 3.29Å; H237-L239 PolarHBondContact O-N 3.43Å; L239-L304 HydrophobicContact CB-CD2 4.33Å; L239-L304 HydrophobicContact CD1-CD2 3.77Å; L239-C306 WeakPolarHBondContact CD1-SG 3.46Å; L239-I334 HydrophobicContact CD1-CD1 3.76Å; L239-I334 HydrophobicContact CD1-CG1 4.18Å; L239-I334 HydrophobicContact CD2-CD1 3.93Å; L239-I334 HydrophobicContact CG-CD1 4.34Å
240	A	97.8	Very high	98.5	Very high	18 Å²	18	38.5 Å²	38.5	15%	0.149	18%	0.179	C	C	.	.	S	Bend	trans	-142.7	153.1	179.3	0	0	0	0	0	110.4	T214 I216 R238 R242 P243	T214-A240 HydrophobicContact CG2-CB 4.15Å; I216-A240 HydrophobicContact CD1-CB 4.43Å; R238-A240 VanDerWaalsContact C-N 3.28Å; R238-A240 PolarHBondContact O-N 2.98Å; A240-R242 VanDerWaalsContact C-N 3.31Å; A240-P243 HydrophobicContact CB-CB 4.34Å
241	D	96.9	Very high	98.4	Very high	171 Å²	171	43.1 Å²	43.1	91%	0.914	20%	0.199	S	C	*	.	S	Bend	trans	-68.2	-33.8	176.7	-63.7	-35.4	0	0	0	111.9
242	R	97.9	Very high	98.1	Very high	118 Å²	118	43 Å²	43	45%	0.445	20%	0.198	S	C	.	.	S	Bend	trans	-131.2	76.3	178.5	-62.9	-178.2	62.6	-161.1	-8.2	110.1	P211 E213 T214 A240	P211-R242 PolarHBondContact O-NH1 3.48Å; E213-R242 CarbonylContact C-O 3.59Å; E213-R242 VanDerWaalsContact CA-O 3.23Å; E213-R242 WeakPolarHBondContact CA-O 3.37Å; E213-R242 HydrophobicContact CG-CB 4.14Å; E213-R242 IonicContact OE1-NH2 3.45Å; E213-R242 PolarHBondContact OE1-NH2 2.92Å; T214-R242 PolarHBondContact N-O 3.37Å; A240-R242 VanDerWaalsContact C-N 3.31Å
243	P	98.3	Very high	97.8	Very high	18 Å²	18	47.5 Å²	47.5	12%	0.117	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.7	-175.9	32.8	-36.3	0	0	0	111.5	I216 H237 A240 I245	I216-P243 HydrophobicContact CD1-CB 4.08Å; H237-P243 HydrophobicContact CB-CG 4.44Å; H237-P243 VanDerWaalsContact CD2-CG 3.45Å; H237-P243 WeakPolarHBondContact CD2-CG 3.41Å; H237-P243 VanDerWaalsContact CE1-CG 3.48Å; H237-P243 WeakPolarHBondContact CE1-CG 3.31Å; H237-P243 WeakPolarHBondContact NE2-CG 3.42Å; H237-P243 WeakPolarHBondContact O-CG 3.49Å; A240-P243 HydrophobicContact CB-CB 4.34Å; P243-I245 HydrophobicContact CB-CG1 4.41Å
244	Y	98.8	Very high	97.6	Very high	11 Å²	11	48.6 Å²	48.6	4%	0.043	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	97.1	166	-170.8	-80.3	0	0	0	108.5	K207 P209 T214 V215 I216 I246 E283	K207-Y244 VanDerWaalsContact O-CE2 3.28Å; K207-Y244 WeakPolarHBondContact O-CE2 3.43Å; K207-Y244 PolarHBondContact O-OH 3.46Å; P209-Y244 HydrophobicContact CB-CD1 4.34Å; P209-Y244 HydrophobicContact CB-CD2 4.05Å; P209-Y244 HydrophobicContact CB-CE2 4.28Å; P209-Y244 HydrophobicContact CB-CG 4.09Å; P209-Y244 HydrophobicContact CG-CD1 3.81Å; P209-Y244 HydrophobicContact CG-CD2 4.09Å; P209-Y244 HydrophobicContact CG-CE1 3.64Å; P209-Y244 HydrophobicContact CG-CE2 3.93Å; P209-Y244 HydrophobicContact CG-CG 4.03Å; T214-Y244 PolarHBondContact O-N 2.96Å; V215-Y244 WeakPolarHBondContact CA-O 3.43Å; V215-Y244 HydrophobicContact CG1-CD1 4.45Å; I216-Y244 PolarHBondContact N-O 3.21Å; Y244-I246 HydrophobicContact CD1-CD1 4.26Å; Y244-I246 HydrophobicContact CD1-CG1 3.82Å; Y244-I246 HydrophobicContact CE1-CD1 4.02Å; Y244-I246 HydrophobicContact CE1-CG1 3.67Å; Y244-E283 HydrophobicContact CE1-CB 4.01Å
245	I	98.9	Very high	97.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.1	-174.2	-64.6	169.6	0	0	0	110.5	I216 V218 L233 V236 H237 P243 Y280 S282 E283	I216-I245 HydrophobicContact CB-CG1 4.29Å; I216-I245 WeakPolarHBondContact O-CA 3.41Å; V218-I245 HydrophobicContact CG2-CG2 4.24Å; L233-I245 HydrophobicContact CD2-CG2 4.08Å; V236-I245 HydrophobicContact CB-CD1 4.36Å; V236-I245 HydrophobicContact CG1-CD1 3.87Å; V236-I245 HydrophobicContact CG1-CG1 4.21Å; H237-I245 HydrophobicContact CB-CD1 3.78Å; P243-I245 HydrophobicContact CB-CG1 4.41Å; I245-Y280 WeakPolarHBondContact CB-O 3.37Å; I245-Y280 VanDerWaalsContact CD1-O 3.28Å; I245-Y280 WeakPolarHBondContact CD1-O 3.38Å; I245-S282 PolarHBondContact N-OG 3.26Å; I245-S282 WeakPolarHBondContact O-CB 3.48Å; I245-S282 PolarHBondContact O-N 2.99Å; I245-E283 PolarHBondContact O-N 3.44Å; I245-E283 VanDerWaalsContact O-N 3.14Å
246	I	98.9	Very high	97.2	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.8	171.9	-53.7	-179	0	0	0	108.7	V215 I216 Y217 V218 Y244 E283 V285 F300	V215-I246 HydrophobicContact CG1-CD1 3.65Å; V215-I246 HydrophobicContact CG1-CG1 4.21Å; I216-I246 PolarHBondContact O-N 2.87Å; Y217-I246 WeakPolarHBondContact CA-O 3.37Å; Y217-I246 HydrophobicContact CD2-CB 4.05Å; Y217-I246 HydrophobicContact CD2-CG2 3.9Å; Y217-I246 HydrophobicContact CE2-CG2 4.19Å; V218-I246 PolarHBondContact N-O 3.23Å; Y244-I246 HydrophobicContact CD1-CD1 4.26Å; Y244-I246 HydrophobicContact CD1-CG1 3.82Å; Y244-I246 HydrophobicContact CE1-CD1 4.02Å; Y244-I246 HydrophobicContact CE1-CG1 3.67Å; I246-E283 WeakPolarHBondContact CA-O 3.46Å; I246-E283 HydrophobicContact CG1-CB 4.31Å; I246-V285 HydrophobicContact CG2-CG2 3.7Å; I246-F300 HydrophobicContact CD1-CB 3.83Å; I246-F300 HydrophobicContact CD1-CD1 3.82Å; I246-F300 HydrophobicContact CD1-CG 3.93Å
247	A	98.8	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	111	176.1	0	0	0	0	0	111.2	V218 V275 V281 E283 V284 V285	V218-A247 HydrophobicContact CG2-CB 4.07Å; V218-A247 CarbonylContact O-C 3.47Å; V218-A247 WeakPolarHBondContact O-CA 3.4Å; A247-V275 HydrophobicContact CB-CG1 3.7Å; A247-V281 HydrophobicContact CB-CG1 4.38Å; A247-E283 PolarHBondContact N-O 3.46Å; A247-V284 HydrophobicContact CB-CG2 4.36Å; A247-V284 VanDerWaalsContact O-CA 3.28Å; A247-V284 WeakPolarHBondContact O-CA 3.43Å; A247-V285 PolarHBondContact O-N 2.92Å
248	G	98.8	Very high	96.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120.4	173.6	0	0	0	0	0	112.8	V218 A219 G220	V218-G248 PolarHBondContact O-N 3.43Å; A219-G248 WeakPolarHBondContact CA-O 3.31Å; G220-G248 PolarHBondContact N-O 3.48Å
249	L	98.8	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.2	179.7	-57.1	-173.3	0	0	0	110.4	F222 L268 R271 V275 V284 V285 G287 A288	F222-L249 HydrophobicContact CB-CD2 3.92Å; F222-L249 HydrophobicContact CD2-CD2 3.48Å; F222-L249 VanDerWaalsContact CD2-CD2 3.48Å; F222-L249 HydrophobicContact CE2-CD2 4.33Å; F222-L249 HydrophobicContact CG-CD2 4Å; L249-L268 HydrophobicContact CB-CD1 3.64Å; L249-L268 HydrophobicContact CD1-CD1 4.44Å; L249-R271 HydrophobicContact CD1-CB 4.2Å; L249-V275 HydrophobicContact CD2-CG2 4Å; L249-V284 HydrophobicContact CD1-CG1 3.57Å; L249-V284 HydrophobicContact CG-CG1 3.72Å; L249-V285 PolarHBondContact N-O 3.4Å; L249-G287 CarbonylContact O-C 3.51Å; L249-G287 VanDerWaalsContact O-CA 3.29Å; L249-G287 WeakPolarHBondContact O-CA 3.38Å; L249-G287 PolarHBondContact O-N 3Å; L249-G287 VanDerWaalsContact O-N 3.15Å; L249-A288 PolarHBondContact O-N 3.17Å
250	H	98.5	Very high	95.9	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.032	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	147.9	176	-61.8	165.3	0	0	0	111.1	G220 V255 Y258 R271 Y290	G220-H250 PolarHBondContact O-N 2.88Å; G220-H250 VanDerWaalsContact O-N 3.12Å; H250-V255 HydrophobicContact CB-CG2 3.86Å; H250-Y258 AromaticContact ND1-CE1 3.55Å; H250-Y258 AromaticContact ND1-CZ 3.76Å; H250-Y258 PolarHBondContact ND1-OH 3Å; H250-R271 PolarHBondContact O-NH1 3.29Å; H250-R271 VanDerWaalsContact O-NH1 3.12Å; H250-R271 PolarHBondContact O-NH2 3.45Å; H250-Y290 AromaticContact CE1-CD2 3.46Å; H250-Y290 VanDerWaalsContact CE1-CD2 3.46Å; H250-Y290 WeakPolarHBondContact CE1-CD2 3.31Å; H250-Y290 AromaticContact CE1-CE2 3.74Å; H250-Y290 AromaticContact ND1-CD2 3.62Å; H250-Y290 AromaticContact ND1-CE2 3.96Å
251	F	96.2	Very high	95.3	Very high	98 Å²	98	42.7 Å²	42.7	43%	0.43	20%	0.202	S	C	.	.			trans	-58.9	151.3	172.2	-73.2	-79.9	0	0	0	112.1	Q253 E254 V255 L268 G287	F251-Q253 VanDerWaalsContact C-N 3.29Å; F251-Q253 PolarHBondContact O-N 3.34Å; F251-E254 HydrophobicContact CB-CB 4.3Å; F251-E254 WeakPolarHBondContact O-CB 3.37Å; F251-E254 PolarHBondContact O-N 2.99Å; F251-V255 WeakPolarHBondContact O-CG2 3.45Å; F251-V255 PolarHBondContact O-N 3.37Å; F251-L268 HydrophobicContact CD1-CD2 3.98Å; F251-L268 HydrophobicContact CE1-CD2 4.24Å; F251-G287 VanDerWaalsContact CE2-C 3.46Å; F251-G287 WeakPolarHBondContact CE2-O 3.39Å; F251-G287 VanDerWaalsContact CZ-CA 3.45Å; F251-G287 WeakPolarHBondContact CZ-O 3.34Å
252	D	93.9	Very high	94.7	Very high	18 Å²	18	37 Å²	37	10%	0.096	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-40.1	-178.5	-64.3	-27.7	0	0	0	112.3	T188 E254 V255 N256 P264 N267 L268 R271	T188-D252 HydrophobicContact CG2-CB 3.57Å; D252-E254 VanDerWaalsContact C-N 3.26Å; D252-E254 PolarHBondContact O-N 3.49Å; D252-V255 PolarHBondContact O-N 3.24Å; D252-N256 WeakPolarHBondContact O-CB 3.47Å; D252-N256 PolarHBondContact O-N 3.2Å; D252-P264 HydrophobicContact CB-CG 4.02Å; D252-P264 WeakPolarHBondContact OD1-CG 3.3Å; D252-N267 WeakPolarHBondContact OD2-CB 3.49Å; D252-L268 PolarHBondContact OD1-N 3.42Å; D252-L268 PolarHBondContact OD2-N 3.33Å; D252-L268 VanDerWaalsContact OD2-N 3.12Å; D252-R271 IonicContact OD1-CZ 3.05Å; D252-R271 IonicContact OD1-NE 2.72Å; D252-R271 IonicContact OD1-NH2 3.9Å; D252-R271 PolarHBondContact OD1-NH2 2.77Å
253	Q	91.4	Very high	94.2	Very high	113 Å²	113	31.6 Å²	31.6	53%	0.528	15%	0.151	S	C	.	.	H	α-helix	trans	-63.8	-35.4	176.8	-59.5	81	1.6	0	0	111.6	F251 R257	F251-Q253 VanDerWaalsContact C-N 3.29Å; F251-Q253 PolarHBondContact O-N 3.34Å; Q253-R257 PolarHBondContact O-N 3.26Å
254	E	95.4	Very high	94.1	Very high	22 Å²	22	31.2 Å²	31.2	10%	0.103	15%	0.148	C	C	.	.	H	α-helix	trans	-74.6	-42.8	178.8	-168.1	56.3	-147	0	0	110.6	F251 D252 N256 R257 Y258 Y290 R316	F251-E254 HydrophobicContact CB-CB 4.3Å; F251-E254 WeakPolarHBondContact O-CB 3.37Å; F251-E254 PolarHBondContact O-N 2.99Å; D252-E254 VanDerWaalsContact C-N 3.26Å; D252-E254 PolarHBondContact O-N 3.49Å; E254-N256 VanDerWaalsContact C-N 3.31Å; E254-N256 PolarHBondContact O-N 2.96Å; E254-R257 WeakPolarHBondContact O-CB 3.47Å; E254-R257 PolarHBondContact O-N 3.47Å; E254-R257 VanDerWaalsContact O-N 3.16Å; E254-R257 IonicContact OE1-CZ 2.71Å; E254-R257 IonicContact OE1-NE 3.51Å; E254-R257 PolarHBondContact OE1-NE 2.96Å; E254-R257 IonicContact OE1-NH2 2.77Å; E254-R257 PolarHBondContact OE1-NH2 3.15Å; E254-R257 IonicContact OE2-NE 3.44Å; E254-Y258 HydrophobicContact CG-CD1 4.48Å; E254-Y258 HydrophobicContact CG-CE1 4.46Å; E254-Y258 WeakPolarHBondContact O-CD1 3.47Å; E254-Y258 WeakPolarHBondContact O-CE1 3.36Å; E254-Y258 PolarHBondContact O-N 3.01Å; E254-Y290 HydrophobicContact CG-CD2 4Å; E254-Y290 HydrophobicContact CG-CG 4.31Å; E254-R316 IonicContact OE2-CZ 3.34Å; E254-R316 IonicContact OE2-NE 3.4Å; E254-R316 PolarHBondContact OE2-NE 2.8Å; E254-R316 IonicContact OE2-NH2 3.99Å; E254-R316 PolarHBondContact OE2-NH2 3.41Å
255	V	95.9	Very high	93.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-45.9	171.7	-179.8	0	0	0	0	110.8	A221 H250 F251 D252 R257 Y258 K259 P264	A221-V255 HydrophobicContact CB-CG1 3.89Å; A221-V255 HydrophobicContact CB-CG2 3.96Å; H250-V255 HydrophobicContact CB-CG2 3.86Å; F251-V255 WeakPolarHBondContact O-CG2 3.45Å; F251-V255 PolarHBondContact O-N 3.37Å; D252-V255 PolarHBondContact O-N 3.24Å; V255-R257 VanDerWaalsContact C-N 3.33Å; V255-R257 PolarHBondContact O-N 3.34Å; V255-Y258 VanDerWaalsContact CA-CE1 3.45Å; V255-Y258 HydrophobicContact CB-CE1 4.38Å; V255-Y258 HydrophobicContact CG2-CE1 4.34Å; V255-Y258 PolarHBondContact O-N 3.37Å; V255-K259 HydrophobicContact CG1-CB 4.47Å; V255-K259 HydrophobicContact CG1-CG 4.06Å; V255-K259 VanDerWaalsContact O-CB 3.26Å; V255-K259 WeakPolarHBondContact O-CB 3.27Å; V255-K259 PolarHBondContact O-N 3.46Å; V255-P264 HydrophobicContact CB-CB 4.42Å; V255-P264 HydrophobicContact CB-CG 4.25Å; V255-P264 HydrophobicContact CG1-CB 3.89Å; V255-P264 HydrophobicContact CG1-CG 4.24Å
256	N	92.7	Very high	93.6	Very high	26 Å²	26	31 Å²	31	14%	0.139	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-40.9	176.6	-172.4	-100.1	0	0	0	112.2	D252 E254 Y258 G260 K261 Y263	D252-N256 WeakPolarHBondContact O-CB 3.47Å; D252-N256 PolarHBondContact O-N 3.2Å; E254-N256 VanDerWaalsContact C-N 3.31Å; E254-N256 PolarHBondContact O-N 2.96Å; N256-Y258 PolarHBondContact O-N 3.13Å; N256-G260 WeakPolarHBondContact O-CA 3.32Å; N256-G260 PolarHBondContact O-N 2.7Å; N256-K261 PolarHBondContact ND2-O 3.37Å; N256-Y263 WeakPolarHBondContact CA-O 3.46Å; N256-Y263 VanDerWaalsContact CB-O 3.24Å; N256-Y263 WeakPolarHBondContact CB-O 3.4Å; N256-Y263 PolarHBondContact ND2-O 2.8Å
257	R	93.4	Very high	93.4	Very high	84 Å²	84	31.9 Å²	31.9	32%	0.317	15%	0.152	S	C	.	.	H	α-helix	trans	-55.9	-49.3	178.2	-176.5	-166.3	69	87.9	-4.8	112.2	Q253 E254 V255	Q253-R257 PolarHBondContact O-N 3.26Å; E254-R257 WeakPolarHBondContact O-CB 3.47Å; E254-R257 PolarHBondContact O-N 3.47Å; E254-R257 VanDerWaalsContact O-N 3.16Å; E254-R257 IonicContact OE1-CZ 2.71Å; E254-R257 IonicContact OE1-NE 3.51Å; E254-R257 PolarHBondContact OE1-NE 2.96Å; E254-R257 IonicContact OE1-NH2 2.77Å; E254-R257 PolarHBondContact OE1-NH2 3.15Å; E254-R257 IonicContact OE2-NE 3.44Å; V255-R257 VanDerWaalsContact C-N 3.33Å; V255-R257 PolarHBondContact O-N 3.34Å
258	Y	93.6	Very high	93.3	Very high	35 Å²	35	32.5 Å²	32.5	14%	0.137	16%	0.156	C	C	.	.	H	α-helix	trans	-93.9	-18.6	-173.3	70.8	-106.3	0	0	0	114.4	A221 H250 E254 V255 N256 Y290 I313	A221-Y258 WeakPolarHBondContact CB-OH 3.36Å; A221-Y258 PolarHBondContact N-OH 2.7Å; H250-Y258 AromaticContact ND1-CE1 3.55Å; H250-Y258 AromaticContact ND1-CZ 3.76Å; H250-Y258 PolarHBondContact ND1-OH 3Å; E254-Y258 HydrophobicContact CG-CD1 4.48Å; E254-Y258 HydrophobicContact CG-CE1 4.46Å; E254-Y258 WeakPolarHBondContact O-CD1 3.47Å; E254-Y258 WeakPolarHBondContact O-CE1 3.36Å; E254-Y258 PolarHBondContact O-N 3.01Å; V255-Y258 VanDerWaalsContact CA-CE1 3.45Å; V255-Y258 HydrophobicContact CB-CE1 4.38Å; V255-Y258 HydrophobicContact CG2-CE1 4.34Å; V255-Y258 PolarHBondContact O-N 3.37Å; N256-Y258 PolarHBondContact O-N 3.13Å; Y258-Y290 AromaticContact CD1-CD2 3.98Å; Y258-Y290 HydrophobicContact CD1-CD2 3.98Å; Y258-Y290 AromaticContact CD1-CE2 3.54Å; Y258-Y290 HydrophobicContact CD1-CE2 3.54Å; Y258-Y290 AromaticContact CE1-CD2 3.97Å; Y258-Y290 HydrophobicContact CE1-CD2 3.97Å; Y258-Y290 AromaticContact CE1-CE2 3.69Å; Y258-Y290 HydrophobicContact CE1-CE2 3.69Å; Y258-Y290 HydrophobicContact CG-CE2 4.19Å; Y258-I313 HydrophobicContact CD2-CD1 3.78Å; Y258-I313 HydrophobicContact CG-CD1 4.23Å; Y258-I313 WeakPolarHBondContact O-CD1 3.3Å
259	K	90.6	Very high	93.2	Very high	77 Å²	77	36.4 Å²	36.4	34%	0.335	17%	0.174	S	C	.	.	H	α-helix	trans	-96.5	-23.1	172.7	-69.8	-61.3	-164.5	168.8	0	113.7	V255 Y263	V255-K259 HydrophobicContact CG1-CB 4.47Å; V255-K259 HydrophobicContact CG1-CG 4.06Å; V255-K259 VanDerWaalsContact O-CB 3.26Å; V255-K259 WeakPolarHBondContact O-CB 3.27Å; V255-K259 PolarHBondContact O-N 3.46Å; K259-Y263 HydrophobicContact CB-CD2 3.87Å; K259-Y263 HydrophobicContact CB-CG 4.16Å
260	G	87.6	Confident	93.1	Very high	27 Å²	27	36.4 Å²	36.4	28%	0.278	17%	0.174	S	C	.	.			trans	66.9	-166.1	-174.8	0	0	0	0	0	113.8	N256 Y263	N256-G260 WeakPolarHBondContact O-CA 3.32Å; N256-G260 PolarHBondContact O-N 2.7Å; G260-Y263 WeakPolarHBondContact O-CB 3.43Å; G260-Y263 PolarHBondContact O-N 3.32Å
261	K	85.5	Confident	93.1	Very high	68 Å²	68	36 Å²	36	30%	0.296	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-144.3	172.9	-42.6	157.1	-165.9	-158.2	0	111.2	V156 H160 W187 N256 Y263 D343	V156-K261 HydrophobicContact CG1-CB 3.92Å; V156-K261 HydrophobicContact CG1-CD 3.96Å; H160-K261 VanDerWaalsContact CE1-CE 3.41Å; H160-K261 WeakPolarHBondContact CE1-CE 3.47Å; H160-K261 WeakPolarHBondContact NE2-CD 3.38Å; H160-K261 WeakPolarHBondContact NE2-CE 3.46Å; H160-K261 WeakPolarHBondContact NE2-CG 3.41Å; H160-K261 PolarHBondContact NE2-NZ 3.44Å; W187-K261 WeakPolarHBondContact CZ3-O 3.49Å; N256-K261 PolarHBondContact ND2-O 3.37Å; K261-Y263 VanDerWaalsContact C-N 3.33Å; K261-Y263 HydrophobicContact CB-CD2 4.33Å; K261-Y263 HydrophobicContact CD-CD2 3.79Å; K261-Y263 HydrophobicContact CD-CE2 3.55Å; K261-D343 IonicContact NZ-OD1 2.72Å; K261-D343 PolarHBondContact NZ-OD1 3.46Å
262	N	84.3	Confident	93.2	Very high	52 Å²	52	31.4 Å²	31.4	28%	0.278	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	27.2	173.6	-63.5	-37.8	0	0	0	111.9	L155 V156	L155-N262 PolarHBondContact O-ND2 3.45Å; V156-N262 HydrophobicContact CB-CB 4.41Å; V156-N262 HydrophobicContact CG2-CB 3.81Å
263	Y	88.6	Confident	93.4	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.016	15%	0.148	C	C	.	.			trans	-79.3	150.3	171	-73	-61.6	0	0	0	111.2	V156 N256 K259 G260 K261 I265 T342 D343 V346	V156-Y263 HydrophobicContact CG1-CE2 4.26Å; N256-Y263 WeakPolarHBondContact CA-O 3.46Å; N256-Y263 VanDerWaalsContact CB-O 3.24Å; N256-Y263 WeakPolarHBondContact CB-O 3.4Å; N256-Y263 PolarHBondContact ND2-O 2.8Å; K259-Y263 HydrophobicContact CB-CD2 3.87Å; K259-Y263 HydrophobicContact CB-CG 4.16Å; G260-Y263 WeakPolarHBondContact O-CB 3.43Å; G260-Y263 PolarHBondContact O-N 3.32Å; K261-Y263 VanDerWaalsContact C-N 3.33Å; K261-Y263 HydrophobicContact CB-CD2 4.33Å; K261-Y263 HydrophobicContact CD-CD2 3.79Å; K261-Y263 HydrophobicContact CD-CE2 3.55Å; Y263-I265 HydrophobicContact CD1-CD1 3.9Å; Y263-I265 HydrophobicContact CD1-CG1 3.87Å; Y263-I265 HydrophobicContact CE1-CD1 3.81Å; Y263-I265 HydrophobicContact CE1-CG1 3.79Å; Y263-T342 HydrophobicContact CD1-CG2 4.32Å; Y263-T342 HydrophobicContact CE1-CG2 3.71Å; Y263-D343 WeakPolarHBondContact CE2-OD1 3.4Å; Y263-D343 WeakPolarHBondContact OH-CA 3.47Å; Y263-D343 VanDerWaalsContact OH-CG 3.23Å; Y263-D343 PolarHBondContact OH-OD1 2.97Å; Y263-V346 HydrophobicContact CE1-CG2 4.42Å
264	P	94.9	Very high	93.7	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.058	13%	0.125	C	C	.	.			cis	-78.4	153.6	-2.4	32	-33.1	0	0	0	113.3	D223 D252 V255 M266	D223-P264 HydrophobicContact CB-CB 4.14Å; D223-P264 VanDerWaalsContact OD2-CA 3.22Å; D223-P264 WeakPolarHBondContact OD2-CA 3.17Å; D223-P264 WeakPolarHBondContact OD2-CB 3.28Å; D252-P264 HydrophobicContact CB-CG 4.02Å; D252-P264 WeakPolarHBondContact OD1-CG 3.3Å; V255-P264 HydrophobicContact CB-CB 4.42Å; V255-P264 HydrophobicContact CB-CG 4.25Å; V255-P264 HydrophobicContact CG1-CB 3.89Å; V255-P264 HydrophobicContact CG1-CG 4.24Å; P264-M266 WeakPolarHBondContact CB-O 3.23Å; P264-M266 WeakPolarHBondContact CG-O 3.49Å
265	I	92.8	Very high	93.9	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.026	12%	0.12	C	C	.	.	S	Bend	trans	-68.2	-42.4	174.3	-52.8	-58.7	0	0	0	110.9	L149 R152 M153 V156 D223 L224 Y263 T342	L149-I265 HydrophobicContact CD2-CG2 4.45Å; R152-I265 HydrophobicContact CB-CG2 3.78Å; R152-I265 WeakPolarHBondContact CD-O 3.44Å; R152-I265 PolarHBondContact NH1-O 3Å; M153-I265 HydrophobicContact CG-CD1 4.27Å; M153-I265 HydrophobicContact CG-CG1 4.41Å; M153-I265 HydrophobicContact CG-CG2 4.18Å; V156-I265 HydrophobicContact CB-CD1 4.42Å; V156-I265 HydrophobicContact CG2-CD1 3.19Å; D223-I265 VanDerWaalsContact CG-N 3.35Å; D223-I265 PolarHBondContact OD1-N 3.48Å; D223-I265 PolarHBondContact OD2-N 3.43Å; L224-I265 HydrophobicContact CD1-CB 4.35Å; L224-I265 HydrophobicContact CD1-CG1 4.03Å; L224-I265 HydrophobicContact CD1-CG2 4.46Å; L224-I265 HydrophobicContact CD2-CB 4Å; L224-I265 HydrophobicContact CD2-CG2 3.78Å; L224-I265 HydrophobicContact CG-CB 3.98Å; L224-I265 HydrophobicContact CG-CG1 4.13Å; L224-I265 HydrophobicContact CG-CG2 4.25Å; Y263-I265 HydrophobicContact CD1-CD1 3.9Å; Y263-I265 HydrophobicContact CD1-CG1 3.87Å; Y263-I265 HydrophobicContact CE1-CD1 3.81Å; Y263-I265 HydrophobicContact CE1-CG1 3.79Å; I265-T342 HydrophobicContact CG1-CG2 4.47Å
266	M	95.1	Very high	94	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.12	C	C	.	.	S	Bend	trans	-101.9	128.8	173.3	-70.3	-179.8	174.7	0	0	109.8	H35 L149 D223 L224 P264 E270 R271	H35-M266 HydrophobicContact CB-CE 3.8Å; L149-M266 HydrophobicContact CD1-CE 3.44Å; L149-M266 VanDerWaalsContact CD1-CE 3.44Å; L149-M266 HydrophobicContact CD2-CE 3.66Å; L149-M266 HydrophobicContact CD2-CG 4.13Å; L149-M266 HydrophobicContact CG-CE 4.21Å; D223-M266 WeakPolarHBondContact OD1-CB 3.41Å; D223-M266 PolarHBondContact OD1-N 3.17Å; L224-M266 HydrophobicContact CD2-CE 3.81Å; L224-M266 HydrophobicContact CD2-CG 4.1Å; L224-M266 HydrophobicContact CD2-SD 4.21Å; P264-M266 WeakPolarHBondContact CB-O 3.23Å; P264-M266 WeakPolarHBondContact CG-O 3.49Å; M266-E270 WeakPolarHBondContact CA-OE2 3.48Å; M266-E270 HydrophobicContact CB-CB 3.93Å; M266-E270 HydrophobicContact CG-CB 4.34Å; M266-R271 HydrophobicContact CB-CG 3.69Å; M266-R271 VanDerWaalsContact O-CD 3.23Å; M266-R271 WeakPolarHBondContact O-CD 3.36Å; M266-R271 WeakPolarHBondContact O-CG 3.36Å; M266-R271 PolarHBondContact O-NE 3.41Å; M266-R271 VanDerWaalsContact O-NE 3.1Å
267	N	94.9	Very high	94.3	Very high	21 Å²	21	23.5 Å²	23.5	11%	0.112	12%	0.115	C	C	.	.			trans	-67.8	170.8	176.5	74	28.4	0	0	0	111.6	D252 H269 E270 R271	D252-N267 WeakPolarHBondContact OD2-CB 3.49Å; N267-H269 PolarHBondContact O-N 2.87Å; N267-H269 VanDerWaalsContact O-N 3.14Å; N267-H269 PolarHBondContact OD1-N 2.94Å; N267-E270 PolarHBondContact N-OE2 3Å; N267-E270 PolarHBondContact O-N 2.75Å; N267-E270 VanDerWaalsContact O-N 3.15Å; N267-E270 WeakPolarHBondContact OD1-CG 3.46Å; N267-E270 PolarHBondContact OD1-N 3.5Å; N267-R271 WeakPolarHBondContact O-CG 3.31Å; N267-R271 PolarHBondContact O-N 3.19Å
268	L	96.3	Very high	94.5	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.068	10%	0.101	C	C	.	.	H	α-helix	trans	-53.7	-38.1	-177.2	179	60.1	0	0	0	113.2	L249 F251 D252 R271 T272 I286	L249-L268 HydrophobicContact CB-CD1 3.64Å; L249-L268 HydrophobicContact CD1-CD1 4.44Å; F251-L268 HydrophobicContact CD1-CD2 3.98Å; F251-L268 HydrophobicContact CE1-CD2 4.24Å; D252-L268 PolarHBondContact OD1-N 3.42Å; D252-L268 PolarHBondContact OD2-N 3.33Å; D252-L268 VanDerWaalsContact OD2-N 3.12Å; L268-R271 VanDerWaalsContact CA-NH2 3.35Å; L268-T272 WeakPolarHBondContact O-CB 3.4Å; L268-T272 PolarHBondContact O-N 3.4Å; L268-T272 PolarHBondContact O-OG1 3.35Å; L268-I286 HydrophobicContact CD1-CG2 4.33Å; L268-I286 HydrophobicContact CD2-CG2 3.96Å; L268-I286 HydrophobicContact CG-CG2 3.94Å
269	H	96.1	Very high	94.8	Very high	82 Å²	82	22.3 Å²	22.3	38%	0.38	11%	0.11	S	C	.	.	H	α-helix	trans	-75.1	-37.5	-178.1	-56.5	-53.4	0	0	0	112.8	F193 Q195 N267 T272 L273	F193-H269 HydrophobicContact CD1-CB 4.07Å; F193-H269 HydrophobicContact CE1-CB 3.94Å; Q195-H269 HydrophobicContact CB-CB 3.94Å; Q195-H269 HydrophobicContact CG-CB 4.12Å; N267-H269 PolarHBondContact O-N 2.87Å; N267-H269 VanDerWaalsContact O-N 3.14Å; N267-H269 PolarHBondContact OD1-N 2.94Å; H269-T272 WeakPolarHBondContact O-CB 3.42Å; H269-T272 PolarHBondContact O-N 2.99Å; H269-L273 PolarHBondContact O-N 3.08Å
270	E	97.2	Very high	95.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.5	-42	173.3	-67.5	170.6	137.7	0	0	111	Y36 R152 S191 F193 M266 N267 T272 L273 S274	Y36-E270 HydrophobicContact CD1-CB 4.27Å; Y36-E270 HydrophobicContact CE1-CB 3.85Å; Y36-E270 HydrophobicContact CE1-CG 3.69Å; R152-E270 IonicContact CZ-OE1 2.77Å; R152-E270 IonicContact CZ-OE2 2.76Å; R152-E270 VanDerWaalsContact NH1-CD 3.32Å; R152-E270 IonicContact NH1-OE1 3.44Å; R152-E270 PolarHBondContact NH1-OE1 2.94Å; R152-E270 IonicContact NH1-OE2 3.17Å; R152-E270 PolarHBondContact NH1-OE2 3.15Å; R152-E270 IonicContact NH2-OE1 3.63Å; R152-E270 PolarHBondContact NH2-OE1 2.93Å; S191-E270 WeakPolarHBondContact CB-OE1 3.33Å; S191-E270 PolarHBondContact OG-OE1 2.9Å; F193-E270 HydrophobicContact CB-CG 4.01Å; F193-E270 HydrophobicContact CD1-CG 3.9Å; F193-E270 HydrophobicContact CG-CG 4.07Å; M266-E270 WeakPolarHBondContact CA-OE2 3.48Å; M266-E270 HydrophobicContact CB-CB 3.93Å; M266-E270 HydrophobicContact CG-CB 4.34Å; N267-E270 PolarHBondContact N-OE2 3Å; N267-E270 PolarHBondContact O-N 2.75Å; N267-E270 VanDerWaalsContact O-N 3.15Å; N267-E270 WeakPolarHBondContact OD1-CG 3.46Å; N267-E270 PolarHBondContact OD1-N 3.5Å; E270-T272 VanDerWaalsContact C-N 3.33Å; E270-T272 PolarHBondContact O-N 2.99Å; E270-L273 PolarHBondContact O-N 2.99Å; E270-S274 WeakPolarHBondContact O-CB 3.48Å; E270-S274 PolarHBondContact O-N 3.43Å; E270-S274 PolarHBondContact O-OG 3.5Å
271	R	98.3	Very high	95.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-38.7	175.1	-68	-176.8	-66.2	114	-4.3	111.7	A221 L249 H250 D252 M266 N267 L268 L273 S274 V275	A221-R271 VanDerWaalsContact O-CD 3.3Å; A221-R271 WeakPolarHBondContact O-CD 3.41Å; A221-R271 PolarHBondContact O-NH1 2.83Å; L249-R271 HydrophobicContact CD1-CB 4.2Å; H250-R271 PolarHBondContact O-NH1 3.29Å; H250-R271 VanDerWaalsContact O-NH1 3.12Å; H250-R271 PolarHBondContact O-NH2 3.45Å; D252-R271 IonicContact OD1-CZ 3.05Å; D252-R271 IonicContact OD1-NE 2.72Å; D252-R271 IonicContact OD1-NH2 3.9Å; D252-R271 PolarHBondContact OD1-NH2 2.77Å; M266-R271 HydrophobicContact CB-CG 3.69Å; M266-R271 VanDerWaalsContact O-CD 3.23Å; M266-R271 WeakPolarHBondContact O-CD 3.36Å; M266-R271 WeakPolarHBondContact O-CG 3.36Å; M266-R271 PolarHBondContact O-NE 3.41Å; M266-R271 VanDerWaalsContact O-NE 3.1Å; N267-R271 WeakPolarHBondContact O-CG 3.31Å; N267-R271 PolarHBondContact O-N 3.19Å; L268-R271 VanDerWaalsContact CA-NH2 3.35Å; R271-L273 PolarHBondContact O-N 3.1Å; R271-S274 PolarHBondContact O-N 3.03Å; R271-V275 WeakPolarHBondContact O-CG2 3.39Å; R271-V275 PolarHBondContact O-N 2.89Å
272	T	98.5	Very high	96.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-54.3	-52.6	174.4	-61.3	0	0	0	0	111.2	L268 H269 E270 S274 V275 L276 V284 I286	L268-T272 WeakPolarHBondContact O-CB 3.4Å; L268-T272 PolarHBondContact O-N 3.4Å; L268-T272 PolarHBondContact O-OG1 3.35Å; H269-T272 WeakPolarHBondContact O-CB 3.42Å; H269-T272 PolarHBondContact O-N 2.99Å; E270-T272 VanDerWaalsContact C-N 3.33Å; E270-T272 PolarHBondContact O-N 2.99Å; T272-S274 VanDerWaalsContact C-N 3.34Å; T272-S274 PolarHBondContact O-N 3.17Å; T272-V275 PolarHBondContact O-N 3.32Å; T272-L276 HydrophobicContact CG2-CD1 3.86Å; T272-L276 HydrophobicContact CG2-CG 4.49Å; T272-L276 WeakPolarHBondContact O-CB 3.41Å; T272-L276 VanDerWaalsContact O-CG 3.31Å; T272-L276 WeakPolarHBondContact O-CG 3.26Å; T272-L276 PolarHBondContact O-N 3.11Å; T272-V284 HydrophobicContact CG2-CG1 4.33Å; T272-I286 HydrophobicContact CG2-CD1 3.69Å; T272-I286 HydrophobicContact CG2-CG1 3.8Å
273	L	98.1	Very high	97	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-66.5	-37	179	-62.8	-169	0	0	0	112.5	Y36 F193 F203 H269 E270 R271 V275 A277	Y36-L273 HydrophobicContact CD2-CD1 4.03Å; Y36-L273 HydrophobicContact CE2-CD1 4.45Å; Y36-L273 HydrophobicContact CG-CB 4.3Å; F193-L273 HydrophobicContact CE1-CD1 4.25Å; F193-L273 HydrophobicContact CE2-CD1 4.09Å; F193-L273 HydrophobicContact CZ-CD1 3.47Å; F193-L273 VanDerWaalsContact CZ-CD1 3.47Å; F193-L273 HydrophobicContact CZ-CG 4.37Å; F203-L273 HydrophobicContact CB-CD2 3.91Å; F203-L273 HydrophobicContact CD1-CB 3.97Å; F203-L273 HydrophobicContact CD1-CD2 4.19Å; F203-L273 WeakPolarHBondContact CD1-O 3.38Å; F203-L273 HydrophobicContact CD2-CD2 4.06Å; F203-L273 HydrophobicContact CE1-CB 3.98Å; F203-L273 WeakPolarHBondContact CE1-O 3.37Å; F203-L273 HydrophobicContact CE2-CD1 4.44Å; F203-L273 HydrophobicContact CG-CB 4.44Å; F203-L273 HydrophobicContact CG-CD2 3.8Å; F203-L273 HydrophobicContact CZ-CB 4.45Å; H269-L273 PolarHBondContact O-N 3.08Å; E270-L273 PolarHBondContact O-N 2.99Å; R271-L273 PolarHBondContact O-N 3.1Å; L273-V275 VanDerWaalsContact C-N 3.35Å; L273-V275 PolarHBondContact O-N 3.34Å; L273-A277 PolarHBondContact O-N 2.99Å
274	S	98.3	Very high	97.4	Very high	6 Å²	6	18.7 Å²	18.7	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-41.9	179.5	-56.4	0	0	0	0	112	E270 R271 T272	E270-S274 WeakPolarHBondContact O-CB 3.48Å; E270-S274 PolarHBondContact O-N 3.43Å; E270-S274 PolarHBondContact O-OG 3.5Å; R271-S274 PolarHBondContact O-N 3.03Å; T272-S274 VanDerWaalsContact C-N 3.34Å; T272-S274 PolarHBondContact O-N 3.17Å
275	V	98.7	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-75.8	-42	-179.8	174.7	0	0	0	0	111.6	F222 F225 A247 L249 R271 T272 L273 A277 C278 V281 V284	F222-V275 HydrophobicContact CB-CG2 3.61Å; F222-V275 HydrophobicContact CD1-CG2 4.3Å; F222-V275 HydrophobicContact CG-CG2 4.01Å; F225-V275 HydrophobicContact CD2-CG2 3.69Å; F225-V275 HydrophobicContact CE2-CG2 4.07Å; F225-V275 HydrophobicContact CG-CG2 4.38Å; A247-V275 HydrophobicContact CB-CG1 3.7Å; L249-V275 HydrophobicContact CD2-CG2 4Å; R271-V275 WeakPolarHBondContact O-CG2 3.39Å; R271-V275 PolarHBondContact O-N 2.89Å; T272-V275 PolarHBondContact O-N 3.32Å; L273-V275 VanDerWaalsContact C-N 3.35Å; L273-V275 PolarHBondContact O-N 3.34Å; V275-A277 PolarHBondContact O-N 3.25Å; V275-C278 VanDerWaalsContact O-CB 3.31Å; V275-C278 WeakPolarHBondContact O-CB 3.22Å; V275-C278 PolarHBondContact O-N 3.29Å; V275-V281 HydrophobicContact CG1-CG1 4.15Å; V275-V281 HydrophobicContact CG1-CG2 3.99Å; V275-V284 HydrophobicContact CB-CG2 4.28Å; V275-V284 HydrophobicContact CG1-CG2 3.77Å
276	L	98.6	Very high	97.8	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-22.5	176.9	-76.3	175.1	0	0	0	113.9	K84 I200 F203 T272 C278 V284	K84-L276 WeakPolarHBondContact CE-O 3.35Å; K84-L276 PolarHBondContact NZ-O 3.31Å; I200-L276 HydrophobicContact CG2-CD1 4.43Å; F203-L276 HydrophobicContact CB-CB 4.1Å; F203-L276 HydrophobicContact CB-CD1 4.22Å; T272-L276 HydrophobicContact CG2-CD1 3.86Å; T272-L276 HydrophobicContact CG2-CG 4.49Å; T272-L276 WeakPolarHBondContact O-CB 3.41Å; T272-L276 VanDerWaalsContact O-CG 3.31Å; T272-L276 WeakPolarHBondContact O-CG 3.26Å; T272-L276 PolarHBondContact O-N 3.11Å; L276-C278 VanDerWaalsContact C-N 3.26Å; L276-C278 PolarHBondContact O-N 3.46Å; L276-V284 HydrophobicContact CD2-CB 4.12Å; L276-V284 HydrophobicContact CD2-CG2 3.67Å; L276-V284 HydrophobicContact CG-CB 4.37Å; L276-V284 HydrophobicContact CG-CG2 3.84Å
277	A	98.6	Very high	97.9	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-19.2	176	0	0	0	0	0	113.5	I83 K84 W85 F203 L273 V275	I83-A277 WeakPolarHBondContact CA-O 3.46Å; K84-A277 PolarHBondContact N-O 2.99Å; W85-A277 HydrophobicContact CH2-CB 4.49Å; W85-A277 HydrophobicContact CZ3-CB 4Å; F203-A277 HydrophobicContact CD1-CB 4.24Å; F203-A277 HydrophobicContact CE1-CB 4.1Å; L273-A277 PolarHBondContact O-N 2.99Å; V275-A277 PolarHBondContact O-N 3.25Å
278	C	98.8	Very high	98	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.02	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-73.9	133.2	-178.8	-173.5	0	0	0	0	111.3	F225 V275 L276 Y280 V281	F225-C278 HydrophobicContact CE1-CB 3.98Å; F225-C278 HydrophobicContact CZ-CB 3.79Å; V275-C278 VanDerWaalsContact O-CB 3.31Å; V275-C278 WeakPolarHBondContact O-CB 3.22Å; V275-C278 PolarHBondContact O-N 3.29Å; L276-C278 VanDerWaalsContact C-N 3.26Å; L276-C278 PolarHBondContact O-N 3.46Å; C278-Y280 PolarHBondContact O-N 3.26Å; C278-V281 HydrophobicContact CB-CG2 3.99Å; C278-V281 PolarHBondContact O-N 3.37Å
279	R	98.6	Very high	98.1	Very high	90 Å²	90	24.2 Å²	24.2	34%	0.34	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.8	-179.2	70	171	61.9	-122.4	-1.9	114.8	Q81 A82 I83 K84 V86 V281	Q81-R279 VanDerWaalsContact O-CZ 3.25Å; Q81-R279 PolarHBondContact O-NE 2.99Å; Q81-R279 PolarHBondContact O-NH2 3.45Å; A82-R279 PolarHBondContact O-N 3.07Å; I83-R279 PolarHBondContact O-NH2 3.03Å; K84-R279 HydrophobicContact CB-CB 3.82Å; V86-R279 PolarHBondContact O-NH2 3.3Å; R279-V281 VanDerWaalsContact C-N 3.35Å
280	Y	98.6	Very high	98.2	Very high	40 Å²	40	21.5 Å²	21.5	16%	0.157	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.5	-178.7	-53	-58.1	0	0	0	112.8	V230 L233 E234 H237 I245 C278	V230-Y280 HydrophobicContact CG1-CE2 4.07Å; L233-Y280 HydrophobicContact CB-CD2 4.26Å; E234-Y280 HydrophobicContact CB-CD2 4.15Å; E234-Y280 HydrophobicContact CB-CE1 4.37Å; E234-Y280 HydrophobicContact CB-CE2 3.64Å; E234-Y280 HydrophobicContact CG-CE1 4.23Å; E234-Y280 HydrophobicContact CG-CE2 4.16Å; H237-Y280 HydrophobicContact CB-CD1 3.98Å; H237-Y280 HydrophobicContact CB-CG 4.4Å; H237-Y280 AromaticContact CD2-CD1 3.75Å; H237-Y280 AromaticContact CG-CD1 3.81Å; I245-Y280 WeakPolarHBondContact CB-O 3.37Å; I245-Y280 VanDerWaalsContact CD1-O 3.28Å; I245-Y280 WeakPolarHBondContact CD1-O 3.38Å; C278-Y280 PolarHBondContact O-N 3.26Å
281	V	98.6	Very high	98.2	Very high	8 Å²	8	22.7 Å²	22.7	5%	0.048	12%	0.121	C	C	.	.			trans	-98.6	127.8	-175.7	178.3	0	0	0	0	110.2	L233 A247 V275 C278 R279 E283 V284	L233-V281 HydrophobicContact CD1-CG2 3.87Å; L233-V281 HydrophobicContact CD2-CG2 4.36Å; A247-V281 HydrophobicContact CB-CG1 4.38Å; V275-V281 HydrophobicContact CG1-CG1 4.15Å; V275-V281 HydrophobicContact CG1-CG2 3.99Å; C278-V281 HydrophobicContact CB-CG2 3.99Å; C278-V281 PolarHBondContact O-N 3.37Å; R279-V281 VanDerWaalsContact C-N 3.35Å; V281-E283 WeakPolarHBondContact CG1-O 3.47Å; V281-V284 HydrophobicContact CG1-CG2 4.1Å
282	S	98.5	Very high	98.2	Very high	25 Å²	25	22.9 Å²	22.9	18%	0.175	12%	0.122	C	C	.	.			trans	-91.1	-43.9	175.7	-58.2	0	0	0	0	111.6	S205 I245	S205-S282 PolarHBondContact OG-O 3.14Å; I245-S282 PolarHBondContact N-OG 3.26Å; I245-S282 WeakPolarHBondContact O-CB 3.48Å; I245-S282 PolarHBondContact O-N 2.99Å
283	E	98.3	Very high	98.2	Very high	69 Å²	69	25.2 Å²	25.2	32%	0.322	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	160.4	-174.4	-173.4	56.1	-74.9	0	0	112.5	Y244 I245 I246 A247 V281	Y244-E283 HydrophobicContact CE1-CB 4.01Å; I245-E283 PolarHBondContact O-N 3.44Å; I245-E283 VanDerWaalsContact O-N 3.14Å; I246-E283 WeakPolarHBondContact CA-O 3.46Å; I246-E283 HydrophobicContact CG1-CB 4.31Å; A247-E283 PolarHBondContact N-O 3.46Å; V281-E283 WeakPolarHBondContact CG1-O 3.47Å
284	V	98.6	Very high	98.2	Very high	11 Å²	11	27.1 Å²	27.1	7%	0.067	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133	178.1	167.2	0	0	0	0	111.5	A247 L249 T272 V275 L276 V281 I286	A247-V284 HydrophobicContact CB-CG2 4.36Å; A247-V284 VanDerWaalsContact O-CA 3.28Å; A247-V284 WeakPolarHBondContact O-CA 3.43Å; L249-V284 HydrophobicContact CD1-CG1 3.57Å; L249-V284 HydrophobicContact CG-CG1 3.72Å; T272-V284 HydrophobicContact CG2-CG1 4.33Å; V275-V284 HydrophobicContact CB-CG2 4.28Å; V275-V284 HydrophobicContact CG1-CG2 3.77Å; L276-V284 HydrophobicContact CD2-CB 4.12Å; L276-V284 HydrophobicContact CD2-CG2 3.67Å; L276-V284 HydrophobicContact CG-CB 4.37Å; L276-V284 HydrophobicContact CG-CG2 3.84Å; V281-V284 HydrophobicContact CG1-CG2 4.1Å; V284-I286 HydrophobicContact CG1-CG1 3.96Å; V284-I286 PolarHBondContact O-N 3.48Å
285	V	98.3	Very high	98.2	Very high	24 Å²	24	34.5 Å²	34.5	15%	0.145	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.1	164.4	-175.6	0	0	0	0	108.5	Y217 I246 A247 L249 G287 A288 F300	Y217-V285 HydrophobicContact CE2-CG2 4.13Å; I246-V285 HydrophobicContact CG2-CG2 3.7Å; A247-V285 PolarHBondContact O-N 2.92Å; L249-V285 PolarHBondContact N-O 3.4Å; V285-G287 PolarHBondContact O-N 2.94Å; V285-A288 HydrophobicContact CB-CB 4.19Å; V285-A288 HydrophobicContact CG1-CB 3.97Å; V285-F300 HydrophobicContact CG2-CD2 4.44Å; V285-F300 HydrophobicContact CG2-CE1 4.39Å; V285-F300 HydrophobicContact CG2-CE2 3.58Å; V285-F300 HydrophobicContact CG2-CZ 3.56Å
286	I	97.7	Very high	98.2	Very high	74 Å²	74	35.1 Å²	35.1	38%	0.379	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	98.4	-179.7	-53.1	173.4	0	0	0	108.8	I200 L268 T272 V284	I200-I286 HydrophobicContact CD1-CD1 4.19Å; L268-I286 HydrophobicContact CD1-CG2 4.33Å; L268-I286 HydrophobicContact CD2-CG2 3.96Å; L268-I286 HydrophobicContact CG-CG2 3.94Å; T272-I286 HydrophobicContact CG2-CD1 3.69Å; T272-I286 HydrophobicContact CG2-CG1 3.8Å; V284-I286 HydrophobicContact CG1-CG1 3.96Å; V284-I286 PolarHBondContact O-N 3.48Å
287	G	95.7	Very high	98.2	Very high	13 Å²	13	35.1 Å²	35.1	13%	0.134	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.8	56.5	-175.3	0	0	0	0	0	111.7	L249 F251 V285	L249-G287 CarbonylContact O-C 3.51Å; L249-G287 VanDerWaalsContact O-CA 3.29Å; L249-G287 WeakPolarHBondContact O-CA 3.38Å; L249-G287 PolarHBondContact O-N 3Å; L249-G287 VanDerWaalsContact O-N 3.15Å; F251-G287 VanDerWaalsContact CE2-C 3.46Å; F251-G287 WeakPolarHBondContact CE2-O 3.39Å; F251-G287 VanDerWaalsContact CZ-CA 3.45Å; F251-G287 WeakPolarHBondContact CZ-O 3.34Å; V285-G287 PolarHBondContact O-N 2.94Å
288	A	97.9	Very high	98.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	145	174.3	0	0	0	0	0	111.6	Y217 L249 V285	Y217-A288 WeakPolarHBondContact OH-CB 3.37Å; L249-A288 PolarHBondContact O-N 3.17Å; V285-A288 HydrophobicContact CB-CB 4.19Å; V285-A288 HydrophobicContact CG1-CB 3.97Å
289	P	97.6	Very high	98.1	Very high	54 Å²	54	44.8 Å²	44.8	35%	0.351	24%	0.241	S	C	.	.			trans	-63.6	154.1	168.9	29.7	-35.1	0	0	0	110.7	T293 L296	P289-T293 HydrophobicContact CG-CG2 4.32Å; P289-L296 HydrophobicContact CG-CD1 3.88Å
290	Y	98.1	Very high	98.1	Very high	25 Å²	25	43.1 Å²	43.1	10%	0.098	24%	0.237	C	C	.	.	S	Bend	trans	-67.3	-50.8	178.2	-170.9	-102.9	0	0	0	111.8	H250 E254 Y258 I313 D315 P321	H250-Y290 AromaticContact CE1-CD2 3.46Å; H250-Y290 VanDerWaalsContact CE1-CD2 3.46Å; H250-Y290 WeakPolarHBondContact CE1-CD2 3.31Å; H250-Y290 AromaticContact CE1-CE2 3.74Å; H250-Y290 AromaticContact ND1-CD2 3.62Å; H250-Y290 AromaticContact ND1-CE2 3.96Å; E254-Y290 HydrophobicContact CG-CD2 4Å; E254-Y290 HydrophobicContact CG-CG 4.31Å; Y258-Y290 AromaticContact CD1-CD2 3.98Å; Y258-Y290 HydrophobicContact CD1-CD2 3.98Å; Y258-Y290 AromaticContact CD1-CE2 3.54Å; Y258-Y290 HydrophobicContact CD1-CE2 3.54Å; Y258-Y290 AromaticContact CE1-CD2 3.97Å; Y258-Y290 HydrophobicContact CE1-CD2 3.97Å; Y258-Y290 AromaticContact CE1-CE2 3.69Å; Y258-Y290 HydrophobicContact CE1-CE2 3.69Å; Y258-Y290 HydrophobicContact CG-CE2 4.19Å; Y290-I313 WeakPolarHBondContact CE1-O 3.2Å; Y290-I313 WeakPolarHBondContact OH-CB 3.24Å; Y290-I313 PolarHBondContact OH-O 3.18Å; Y290-D315 HydrophobicContact CD1-CB 4.02Å; Y290-D315 HydrophobicContact CE1-CB 4.25Å; Y290-P321 HydrophobicContact CD1-CB 3.89Å; Y290-P321 HydrophobicContact CD1-CG 4.39Å; Y290-P321 HydrophobicContact CE1-CB 3.77Å; Y290-P321 HydrophobicContact CE1-CG 3.75Å
291	A	98.4	Very high	98.1	Very high	24 Å²	24	49.1 Å²	49.1	20%	0.198	26%	0.264	C	S	.	.	S	Bend	trans	-71.8	137	169.6	0	0	0	0	0	111.3	T293 D315	A291-T293 WeakPolarHBondContact O-CG2 3.48Å; A291-T293 PolarHBondContact O-N 3.31Å; A291-D315 WeakPolarHBondContact CB-OD2 3.44Å
292	V	98.6	Very high	98.1	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.024	27%	0.265	C	S	.	.			trans	-77.1	94.3	171.9	-175.1	0	0	0	0	108.6	Y217 L296 L297 V305 P321 Y322 E324 P325	Y217-V292 HydrophobicContact CD1-CG1 4.23Å; Y217-V292 HydrophobicContact CE1-CG1 4.24Å; Y217-V292 HydrophobicContact CE1-CG2 4.11Å; V292-L296 HydrophobicContact CG1-CD2 4.49Å; V292-L297 HydrophobicContact CG1-CD1 4.32Å; V292-L297 HydrophobicContact CG1-CD2 3.63Å; V292-L297 HydrophobicContact CG1-CG 3.95Å; V292-V305 HydrophobicContact CG1-CG2 4.41Å; V292-P321 PolarHBondContact N-O 3.13Å; V292-Y322 HydrophobicContact CG2-CD1 3.76Å; V292-Y322 HydrophobicContact CG2-CE1 3.75Å; V292-E324 WeakPolarHBondContact O-CB 3.27Å; V292-P325 HydrophobicContact CB-CG 4.19Å; V292-P325 HydrophobicContact CG1-CG 4.11Å
293	T	98.3	Very high	98.1	Very high	50 Å²	50	52.1 Å²	52.1	31%	0.307	28%	0.278	S	S	.	.			trans	-77.9	155.2	-171.8	71.2	0	0	0	0	113.2	P289 A291 E295 L296 L297	P289-T293 HydrophobicContact CG-CG2 4.32Å; A291-T293 WeakPolarHBondContact O-CG2 3.48Å; A291-T293 PolarHBondContact O-N 3.31Å; T293-E295 PolarHBondContact O-N 3.43Å; T293-L296 PolarHBondContact O-N 3.12Å; T293-L296 WeakPolarHBondContact OG1-CB 3.37Å; T293-L296 PolarHBondContact OG1-N 3.16Å; T293-L296 VanDerWaalsContact OG1-N 3.13Å; T293-L297 WeakPolarHBondContact O-CG 3.39Å; T293-L297 PolarHBondContact O-N 3Å; T293-L297 VanDerWaalsContact O-N 3.09Å
294	A	98.3	Very high	98.1	Very high	42 Å²	42	50.2 Å²	50.2	35%	0.347	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-34.3	174.5	0	0	0	0	0	112.7	S298 E324 R328	A294-S298 WeakPolarHBondContact O-CB 3.47Å; A294-S298 PolarHBondContact O-N 3.49Å; A294-S298 VanDerWaalsContact O-N 3.1Å; A294-S298 PolarHBondContact O-OG 3.38Å; A294-E324 HydrophobicContact CB-CG 4.18Å; A294-R328 VanDerWaalsContact CB-NH2 3.33Å
295	E	98.1	Very high	98.1	Very high	161 Å²	161	49.7 Å²	49.7	75%	0.752	27%	0.267	S	S	*	.	H	α-helix	trans	-64.4	-49.5	175.5	-176.1	-179.1	178.9	0	0	110.9	T293 L297 S298 H299	T293-E295 PolarHBondContact O-N 3.43Å; E295-L297 PolarHBondContact O-N 3Å; E295-S298 PolarHBondContact O-N 3.34Å; E295-H299 VanDerWaalsContact O-CB 3.26Å; E295-H299 WeakPolarHBondContact O-CB 3.3Å; E295-H299 PolarHBondContact O-N 3.25Å
296	L	98.4	Very high	98.1	Very high	14 Å²	14	48.6 Å²	48.6	7%	0.073	26%	0.26	C	S	.	.	H	α-helix	trans	-57.6	-48.4	178	-176.9	154.1	0	0	0	111.2	Y217 P289 V292 T293 S298 H299 F300	Y217-L296 HydrophobicContact CD1-CD2 4.1Å; Y217-L296 HydrophobicContact CD2-CD2 4.07Å; Y217-L296 HydrophobicContact CE1-CD1 4.43Å; Y217-L296 HydrophobicContact CE1-CD2 3.91Å; Y217-L296 HydrophobicContact CE2-CD1 4.29Å; Y217-L296 HydrophobicContact CE2-CD2 3.89Å; Y217-L296 HydrophobicContact CG-CD2 4.17Å; P289-L296 HydrophobicContact CG-CD1 3.88Å; V292-L296 HydrophobicContact CG1-CD2 4.49Å; T293-L296 PolarHBondContact O-N 3.12Å; T293-L296 WeakPolarHBondContact OG1-CB 3.37Å; T293-L296 PolarHBondContact OG1-N 3.16Å; T293-L296 VanDerWaalsContact OG1-N 3.13Å; L296-S298 VanDerWaalsContact C-N 3.28Å; L296-S298 PolarHBondContact O-N 2.76Å; L296-H299 PolarHBondContact O-N 2.94Å; L296-F300 HydrophobicContact CD2-CD2 4.16Å; L296-F300 HydrophobicContact CG-CD2 4Å; L296-F300 HydrophobicContact CG-CE2 4.16Å; L296-F300 WeakPolarHBondContact O-CD2 3.37Å; L296-F300 PolarHBondContact O-N 3.48Å; L296-F300 VanDerWaalsContact O-N 3.13Å
297	L	98.4	Very high	98.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-39.5	179.3	-66.1	176	0	0	0	112.2	V292 T293 E295 K301 V302 V305 E324 P325 I330	V292-L297 HydrophobicContact CG1-CD1 4.32Å; V292-L297 HydrophobicContact CG1-CD2 3.63Å; V292-L297 HydrophobicContact CG1-CG 3.95Å; T293-L297 WeakPolarHBondContact O-CG 3.39Å; T293-L297 PolarHBondContact O-N 3Å; T293-L297 VanDerWaalsContact O-N 3.09Å; E295-L297 PolarHBondContact O-N 3Å; L297-K301 WeakPolarHBondContact O-CA 3.29Å; L297-K301 PolarHBondContact O-N 3.26Å; L297-K301 VanDerWaalsContact O-N 3.15Å; L297-V302 HydrophobicContact CD2-CB 3.8Å; L297-V302 HydrophobicContact CD2-CG1 3.89Å; L297-V302 HydrophobicContact CD2-CG2 4.07Å; L297-V302 PolarHBondContact O-N 2.96Å; L297-V305 HydrophobicContact CD2-CG2 3.64Å; L297-E324 HydrophobicContact CD1-CG 3.73Å; L297-P325 HydrophobicContact CD1-CB 4.42Å; L297-I330 HydrophobicContact CD1-CD1 4.49Å; L297-I330 HydrophobicContact CD2-CD1 4.44Å
298	S	98	Very high	98.2	Very high	70 Å²	70	45.9 Å²	45.9	49%	0.49	25%	0.245	S	C	.	.	H	α-helix	trans	-77.7	-37.7	-178.1	-50.6	0	0	0	0	112	A294 E295 L296 K301	A294-S298 WeakPolarHBondContact O-CB 3.47Å; A294-S298 PolarHBondContact O-N 3.49Å; A294-S298 VanDerWaalsContact O-N 3.1Å; A294-S298 PolarHBondContact O-OG 3.38Å; E295-S298 PolarHBondContact O-N 3.34Å; L296-S298 VanDerWaalsContact C-N 3.28Å; L296-S298 PolarHBondContact O-N 2.76Å; S298-K301 PolarHBondContact O-N 3Å
299	H	98	Very high	98.1	Very high	139 Å²	139	52.2 Å²	52.2	64%	0.644	27%	0.272	S	S	*	.	H	α-helix	trans	-60.9	-50.2	178.2	-178.4	81.5	0	0	0	111.3	E295 L296 K301	E295-H299 VanDerWaalsContact O-CB 3.26Å; E295-H299 WeakPolarHBondContact O-CB 3.3Å; E295-H299 PolarHBondContact O-N 3.25Å; L296-H299 PolarHBondContact O-N 2.94Å; H299-K301 VanDerWaalsContact C-N 3.32Å
300	F	97.8	Very high	98	Very high	56 Å²	56	53.5 Å²	53.5	25%	0.246	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.2	179.5	-66.4	-67	0	0	0	114.1	I246 V285 L296 V302	I246-F300 HydrophobicContact CD1-CB 3.83Å; I246-F300 HydrophobicContact CD1-CD1 3.82Å; I246-F300 HydrophobicContact CD1-CG 3.93Å; V285-F300 HydrophobicContact CG2-CD2 4.44Å; V285-F300 HydrophobicContact CG2-CE1 4.39Å; V285-F300 HydrophobicContact CG2-CE2 3.58Å; V285-F300 HydrophobicContact CG2-CZ 3.56Å; L296-F300 HydrophobicContact CD2-CD2 4.16Å; L296-F300 HydrophobicContact CG-CD2 4Å; L296-F300 HydrophobicContact CG-CE2 4.16Å; L296-F300 WeakPolarHBondContact O-CD2 3.37Å; L296-F300 PolarHBondContact O-N 3.48Å; L296-F300 VanDerWaalsContact O-N 3.13Å; F300-V302 VanDerWaalsContact C-N 3.32Å; F300-V302 HydrophobicContact CB-CG2 3.82Å; F300-V302 PolarHBondContact O-N 2.88Å
301	K	98.3	Very high	97.8	Very high	165 Å²	165	60.2 Å²	60.2	72%	0.717	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	50.6	-176.6	-54.3	174.3	-174.9	-68.8	0	111.5	L297 S298 H299 D303	L297-K301 WeakPolarHBondContact O-CA 3.29Å; L297-K301 PolarHBondContact O-N 3.26Å; L297-K301 VanDerWaalsContact O-N 3.15Å; S298-K301 PolarHBondContact O-N 3Å; H299-K301 VanDerWaalsContact C-N 3.32Å; K301-D303 PolarHBondContact O-N 2.94Å
302	V	98.6	Very high	97.8	Very high	14 Å²	14	61.4 Å²	61.4	9%	0.085	31%	0.314	C	S	.	.			trans	-70	125.9	-174.1	178.8	0	0	0	0	111	V215 L297 F300 L304 V305	V215-V302 HydrophobicContact CG1-CG2 4.41Å; L297-V302 HydrophobicContact CD2-CB 3.8Å; L297-V302 HydrophobicContact CD2-CG1 3.89Å; L297-V302 HydrophobicContact CD2-CG2 4.07Å; L297-V302 PolarHBondContact O-N 2.96Å; F300-V302 VanDerWaalsContact C-N 3.32Å; F300-V302 HydrophobicContact CB-CG2 3.82Å; F300-V302 PolarHBondContact O-N 2.88Å; V302-L304 WeakPolarHBondContact CG1-O 3.4Å; V302-V305 HydrophobicContact CG1-CG2 3.85Å
303	D	98.7	Very high	97.7	Very high	82 Å²	82	63.5 Å²	63.5	44%	0.439	33%	0.325	S	S	.	.	S	Bend	trans	-89.1	-33.3	176.3	-59.9	-57.1	0	0	0	112.2	T214 V215 K301 I330	T214-D303 WeakPolarHBondContact CA-OD2 3.48Å; T214-D303 HydrophobicContact CG2-CB 3.81Å; V215-D303 PolarHBondContact N-OD2 3.18Å; V215-D303 PolarHBondContact O-N 3.34Å; K301-D303 PolarHBondContact O-N 2.94Å; D303-I330 WeakPolarHBondContact O-CB 3.26Å; D303-I330 WeakPolarHBondContact O-CG2 3.39Å
304	L	98.7	Very high	97.7	Very high	30 Å²	30	64.4 Å²	64.4	16%	0.157	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.5	-175.8	-154.9	72.6	0	0	0	111.6	V215 I216 Y217 L239 V302 I330 R332	V215-L304 PolarHBondContact O-N 2.9Å; I216-L304 CarbonylContact C-O 3.47Å; I216-L304 WeakPolarHBondContact CA-O 3.4Å; I216-L304 HydrophobicContact CG1-CB 4.22Å; I216-L304 HydrophobicContact CG2-CB 4.24Å; Y217-L304 PolarHBondContact N-O 3.16Å; L239-L304 HydrophobicContact CB-CD2 4.33Å; L239-L304 HydrophobicContact CD1-CD2 3.77Å; V302-L304 WeakPolarHBondContact CG1-O 3.4Å; L304-I330 WeakPolarHBondContact CD1-O 3.29Å; L304-R332 HydrophobicContact CD1-CG 3.8Å; L304-R332 HydrophobicContact CD2-CG 4.2Å; L304-R332 HydrophobicContact CG-CG 4.17Å
305	V	98.9	Very high	97.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.9	171.8	-179.8	0	0	0	0	109.5	Y217 V292 L297 V302 Y322 P325 I330 F331 R332	Y217-V305 HydrophobicContact CD1-CG1 4.44Å; Y217-V305 CarbonylContact O-C 3.47Å; Y217-V305 VanDerWaalsContact O-CA 3.31Å; Y217-V305 WeakPolarHBondContact O-CA 3.46Å; V292-V305 HydrophobicContact CG1-CG2 4.41Å; L297-V305 HydrophobicContact CD2-CG2 3.64Å; V302-V305 HydrophobicContact CG1-CG2 3.85Å; V305-Y322 HydrophobicContact CG1-CD1 3.83Å; V305-Y322 HydrophobicContact CG1-CE1 3.88Å; V305-P325 HydrophobicContact CB-CB 3.78Å; V305-P325 HydrophobicContact CB-CG 4.2Å; V305-P325 HydrophobicContact CG1-CB 4.28Å; V305-P325 HydrophobicContact CG1-CG 4.14Å; V305-P325 HydrophobicContact CG2-CB 3.6Å; V305-P325 HydrophobicContact CG2-CG 4.16Å; V305-I330 HydrophobicContact CG2-CD1 4.36Å; V305-I330 HydrophobicContact CG2-CG1 4.5Å; V305-I330 PolarHBondContact N-O 2.98Å; V305-F331 HydrophobicContact CG1-CD2 4.28Å; V305-F331 CarbonylContact O-C 3.55Å; V305-F331 WeakPolarHBondContact O-CA 3.48Å; V305-R332 PolarHBondContact O-N 2.83Å
306	C	98.8	Very high	97.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.3	178.7	-58.1	0	0	0	0	113	Y217 V218 F232 V236 L239 R332 I334	Y217-C306 PolarHBondContact O-N 3.4Å; V218-C306 HydrophobicContact CG1-CB 3.89Å; F232-C306 HydrophobicContact CE2-CB 4.45Å; F232-C306 HydrophobicContact CZ-CB 4.27Å; V236-C306 HydrophobicContact CG1-CB 4.4Å; V236-C306 HydrophobicContact CG2-CB 3.86Å; L239-C306 WeakPolarHBondContact CD1-SG 3.46Å; C306-R332 VanDerWaalsContact CA-O 3.27Å; C306-R332 WeakPolarHBondContact CA-O 3.49Å; C306-I334 HydrophobicContact CB-CG1 4.11Å
307	H	98.6	Very high	97.3	Very high	22 Å²	22	69.7 Å²	69.7	10%	0.102	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.7	166.8	-168.8	76	0	0	0	110.3	T310 I312 Y322 F331 R332 Q333 I334	H307-T310 PolarHBondContact NE2-O 2.92Å; H307-T310 PolarHBondContact NE2-OG1 3.1Å; H307-T310 VanDerWaalsContact NE2-OG1 3.08Å; H307-I312 HydrophobicContact CB-CD1 4.45Å; H307-I312 WeakPolarHBondContact CD2-CG1 3.44Å; H307-I312 WeakPolarHBondContact NE2-CG1 3.36Å; H307-Y322 HydrophobicContact CB-CE1 4.28Å; H307-Y322 HydrophobicContact CB-CE2 4.29Å; H307-Y322 AromaticContact CG-CZ 3.94Å; H307-Y322 AromaticContact ND1-CE2 3.78Å; H307-Y322 AromaticContact ND1-CZ 3.53Å; H307-Y322 PolarHBondContact ND1-OH 3.19Å; H307-F331 HydrophobicContact CB-CE2 3.83Å; H307-F331 HydrophobicContact CB-CZ 3.93Å; H307-R332 PolarHBondContact N-O 3.49Å; H307-Q333 WeakPolarHBondContact O-CA 3.45Å; H307-I334 PolarHBondContact O-N 3.17Å
308	G	96.4	Very high	97.2	Very high	9 Å²	9	72.2 Å²	72.2	9%	0.093	37%	0.373	C	S	.	.			trans	-67.7	-174.6	175.8	0	0	0	0	0	113.4	Q333 I334	G308-Q333 WeakPolarHBondContact O-CG 3.35Å; G308-Q333 PolarHBondContact O-NE2 2.69Å; G308-I334 CarbonylContact C-O 3.56Å; G308-I334 VanDerWaalsContact CA-O 3.25Å; G308-I334 WeakPolarHBondContact CA-O 3.43Å
309	K	95.5	Very high	97.2	Very high	133 Å²	133	70 Å²	70	58%	0.578	36%	0.357	S	S	*	.	S	Bend	trans	-83.5	5.7	166.3	-82.7	-166.1	178.3	168.1	0	114.2	Q333 I334 D335	K309-Q333 HydrophobicContact CG-CG 4.46Å; K309-I334 PolarHBondContact N-O 2.88Å; K309-D335 HydrophobicContact CD-CB 3.8Å; K309-D335 WeakPolarHBondContact CD-OD2 3.45Å; K309-D335 WeakPolarHBondContact CE-OD2 3.29Å; K309-D335 HydrophobicContact CG-CB 4.16Å; K309-D335 IonicContact NZ-OD2 3.79Å; K309-D335 PolarHBondContact NZ-OD2 3.11Å
310	T	94.7	Very high	97.2	Very high	82 Å²	82	65.8 Å²	65.8	50%	0.503	34%	0.339	S	S	.	.	S	Bend	trans	-66.2	156.3	172	48.6	0	0	0	0	111	H307 I312	H307-T310 PolarHBondContact NE2-O 2.92Å; H307-T310 PolarHBondContact NE2-OG1 3.1Å; H307-T310 VanDerWaalsContact NE2-OG1 3.08Å; T310-I312 PolarHBondContact O-N 3.35Å
311	E	95.1	Very high	97.3	Very high	166 Å²	166	63.3 Å²	63.3	78%	0.776	33%	0.329	S	S	*	.			trans	-59.6	133.5	174.6	-175.3	179.4	-170	0	0	111.1
312	I	97.5	Very high	97.3	Very high	48 Å²	48	55.9 Å²	55.9	25%	0.246	30%	0.296	C	S	.	.			trans	-95.8	109.7	171.8	-62.3	169.2	0	0	0	106.9	H307 T310 P321 Y322 F331	H307-I312 HydrophobicContact CB-CD1 4.45Å; H307-I312 WeakPolarHBondContact CD2-CG1 3.44Å; H307-I312 WeakPolarHBondContact NE2-CG1 3.36Å; T310-I312 PolarHBondContact O-N 3.35Å; I312-P321 HydrophobicContact CG2-CG 3.58Å; I312-Y322 HydrophobicContact CD1-CD2 3.82Å; I312-Y322 HydrophobicContact CD1-CE2 4.05Å; I312-Y322 HydrophobicContact CG1-CD2 4.33Å; I312-Y322 HydrophobicContact CG1-CE2 4.17Å; I312-Y322 HydrophobicContact CG2-CD2 3.86Å; I312-Y322 HydrophobicContact CG2-CE2 3.99Å; I312-F331 HydrophobicContact CD1-CZ 4.3Å
313	I	97.3	Very high	97.3	Very high	49 Å²	49	60.4 Å²	60.4	25%	0.251	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-74.5	134.9	177.6	-60.5	166.1	0	0	0	108.2	Y258 Y290	Y258-I313 HydrophobicContact CD2-CD1 3.78Å; Y258-I313 HydrophobicContact CG-CD1 4.23Å; Y258-I313 WeakPolarHBondContact O-CD1 3.3Å; Y290-I313 WeakPolarHBondContact CE1-O 3.2Å; Y290-I313 WeakPolarHBondContact OH-CB 3.24Å; Y290-I313 PolarHBondContact OH-O 3.18Å
314	P	97.6	Very high	97.3	Very high	69 Å²	69	57.8 Å²	57.8	45%	0.448	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-57.2	153.5	174.7	-25.6	34.9	0	0	0	112.8
315	D	96.8	Very high	97.3	Very high	31 Å²	31	56.3 Å²	56.3	17%	0.166	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-68.2	173.3	171.5	-152.5	-17.9	0	0	0	110.8	Y290 A291 D317 G318 S319	Y290-D315 HydrophobicContact CD1-CB 4.02Å; Y290-D315 HydrophobicContact CE1-CB 4.25Å; A291-D315 WeakPolarHBondContact CB-OD2 3.44Å; D315-D317 PolarHBondContact O-N 2.78Å; D315-G318 WeakPolarHBondContact O-CA 3.47Å; D315-G318 PolarHBondContact O-N 3.39Å; D315-S319 PolarHBondContact N-O 2.83Å
316	R	94.6	Very high	97.3	Very high	171 Å²	171	60.6 Å²	60.6	65%	0.645	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.7	-175.8	-62.7	-176.8	-177.1	-155.1	0.7	113.5	E254 G318	E254-R316 IonicContact OE2-CZ 3.34Å; E254-R316 IonicContact OE2-NE 3.4Å; E254-R316 PolarHBondContact OE2-NE 2.8Å; E254-R316 IonicContact OE2-NH2 3.99Å; E254-R316 PolarHBondContact OE2-NH2 3.41Å; R316-G318 VanDerWaalsContact C-N 3.31Å
317	D	95.6	Very high	97.2	Very high	126 Å²	126	69.2 Å²	69.2	67%	0.674	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	3.6	175.9	64.8	-2.2	0	0	0	113.1	D315 S319	D315-D317 PolarHBondContact O-N 2.78Å; D317-S319 VanDerWaalsContact C-N 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.44Å; D317-S319 PolarHBondContact OD1-N 2.75Å; D317-S319 PolarHBondContact OD1-OG 3.09Å; D317-S319 PolarHBondContact OD2-OG 3.24Å
318	G	96.8	Very high	97.2	Very high	55 Å²	55	72.7 Å²	72.7	57%	0.567	36%	0.357	S	S	*	.	S	Bend	trans	81.9	1.1	-176.9	0	0	0	0	0	114.4	D315 R316	D315-G318 WeakPolarHBondContact O-CA 3.47Å; D315-G318 PolarHBondContact O-N 3.39Å; R316-G318 VanDerWaalsContact C-N 3.31Å
319	S	97.6	Very high	97.3	Very high	24 Å²	24	75.1 Å²	75.1	17%	0.168	38%	0.382	C	S	.	.			trans	-73.8	160.5	178.8	69.6	0	0	0	0	112.7	D315 D317 P321	D315-S319 PolarHBondContact N-O 2.83Å; D317-S319 VanDerWaalsContact C-N 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.44Å; D317-S319 PolarHBondContact OD1-N 2.75Å; D317-S319 PolarHBondContact OD1-OG 3.09Å; D317-S319 PolarHBondContact OD2-OG 3.24Å; S319-P321 WeakPolarHBondContact O-CD 3.36Å
320	D	98.3	Very high	97.5	Very high	50 Å²	50	70.3 Å²	70.3	27%	0.267	36%	0.362	S	S	.	.			trans	-77.6	117.7	172.1	172.3	8.6	0	0	0	109.5	Y322 Q323 K326	D320-Y322 PolarHBondContact O-N 3.13Å; D320-Y322 PolarHBondContact OD1-N 2.8Å; D320-Q323 HydrophobicContact CB-CB 4.24Å; D320-Q323 VanDerWaalsContact O-CB 3.24Å; D320-Q323 WeakPolarHBondContact O-CB 3.48Å; D320-Q323 VanDerWaalsContact O-CG 3.24Å; D320-Q323 WeakPolarHBondContact O-CG 3.34Å; D320-Q323 PolarHBondContact O-N 3.15Å; D320-K326 IonicContact OD1-NZ 3.85Å; D320-K326 VanDerWaalsContact OD2-CD 3.3Å; D320-K326 WeakPolarHBondContact OD2-CD 3.46Å; D320-K326 WeakPolarHBondContact OD2-CE 3.36Å; D320-K326 IonicContact OD2-NZ 3.45Å; D320-K326 PolarHBondContact OD2-NZ 3.07Å
321	P	98.5	Very high	97.7	Very high	3 Å²	3	68.1 Å²	68.1	2%	0.019	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.5	-178.3	26.9	-35.4	0	0	0	113.2	Y290 V292 I312 S319	Y290-P321 HydrophobicContact CD1-CB 3.89Å; Y290-P321 HydrophobicContact CD1-CG 4.39Å; Y290-P321 HydrophobicContact CE1-CB 3.77Å; Y290-P321 HydrophobicContact CE1-CG 3.75Å; V292-P321 PolarHBondContact N-O 3.13Å; I312-P321 HydrophobicContact CG2-CG 3.58Å; S319-P321 WeakPolarHBondContact O-CD 3.36Å
322	Y	98.7	Very high	97.8	Very high	9 Å²	9	67.5 Å²	67.5	4%	0.035	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	14.8	174.9	-64	-84.7	0	0	0	113.4	V292 V305 H307 I312 D320 E324 P325 K326 F331	V292-Y322 HydrophobicContact CG2-CD1 3.76Å; V292-Y322 HydrophobicContact CG2-CE1 3.75Å; V305-Y322 HydrophobicContact CG1-CD1 3.83Å; V305-Y322 HydrophobicContact CG1-CE1 3.88Å; H307-Y322 HydrophobicContact CB-CE1 4.28Å; H307-Y322 HydrophobicContact CB-CE2 4.29Å; H307-Y322 AromaticContact CG-CZ 3.94Å; H307-Y322 AromaticContact ND1-CE2 3.78Å; H307-Y322 AromaticContact ND1-CZ 3.53Å; H307-Y322 PolarHBondContact ND1-OH 3.19Å; I312-Y322 HydrophobicContact CD1-CD2 3.82Å; I312-Y322 HydrophobicContact CD1-CE2 4.05Å; I312-Y322 HydrophobicContact CG1-CD2 4.33Å; I312-Y322 HydrophobicContact CG1-CE2 4.17Å; I312-Y322 HydrophobicContact CG2-CD2 3.86Å; I312-Y322 HydrophobicContact CG2-CE2 3.99Å; D320-Y322 PolarHBondContact O-N 3.13Å; D320-Y322 PolarHBondContact OD1-N 2.8Å; Y322-E324 VanDerWaalsContact C-N 3.31Å; Y322-E324 PolarHBondContact O-N 3Å; Y322-P325 HydrophobicContact CD1-CG 4.26Å; Y322-P325 VanDerWaalsContact O-CD 3.24Å; Y322-P325 WeakPolarHBondContact O-CD 3.41Å; Y322-P325 VanDerWaalsContact O-CG 3.3Å; Y322-P325 WeakPolarHBondContact O-CG 3.33Å; Y322-K326 WeakPolarHBondContact O-CB 3.3Å; Y322-K326 VanDerWaalsContact O-CG 3.25Å; Y322-K326 WeakPolarHBondContact O-CG 3.25Å; Y322-K326 PolarHBondContact O-N 3.12Å; Y322-K326 VanDerWaalsContact O-N 3.11Å; Y322-F331 AromaticContact CD1-CD2 3.77Å; Y322-F331 HydrophobicContact CD1-CD2 3.77Å; Y322-F331 AromaticContact CD1-CE2 3.5Å; Y322-F331 HydrophobicContact CD1-CE2 3.5Å; Y322-F331 HydrophobicContact CD2-CE2 4.25Å; Y322-F331 HydrophobicContact CE1-CE2 4.11Å; Y322-F331 HydrophobicContact CG-CD2 4.03Å; Y322-F331 AromaticContact CG-CE2 3.58Å; Y322-F331 HydrophobicContact CG-CE2 3.58Å; Y322-F331 HydrophobicContact CG-CZ 4.43Å
323	Q	98.5	Very high	97.8	Very high	110 Å²	110	70.7 Å²	70.7	51%	0.514	35%	0.35	S	S	.	.	H	α-helix	trans	-57.7	-40.5	-179.1	66	-176.5	-2.4	0	0	113.2	D320 K326 R327	D320-Q323 HydrophobicContact CB-CB 4.24Å; D320-Q323 VanDerWaalsContact O-CB 3.24Å; D320-Q323 WeakPolarHBondContact O-CB 3.48Å; D320-Q323 VanDerWaalsContact O-CG 3.24Å; D320-Q323 WeakPolarHBondContact O-CG 3.34Å; D320-Q323 PolarHBondContact O-N 3.15Å; Q323-K326 PolarHBondContact O-N 2.97Å; Q323-R327 WeakPolarHBondContact O-CB 3.3Å; Q323-R327 PolarHBondContact O-N 2.75Å
324	E	98.5	Very high	97.9	Very high	26 Å²	26	69.4 Å²	69.4	12%	0.121	34%	0.344	C	S	.	.	H	α-helix	trans	-69.1	-49.8	-176.7	178.2	62	-169.7	0	0	112.9	V292 A294 L297 Y322 K326 R327 R328	V292-E324 WeakPolarHBondContact O-CB 3.27Å; A294-E324 HydrophobicContact CB-CG 4.18Å; L297-E324 HydrophobicContact CD1-CG 3.73Å; Y322-E324 VanDerWaalsContact C-N 3.31Å; Y322-E324 PolarHBondContact O-N 3Å; E324-K326 VanDerWaalsContact C-N 3.29Å; E324-K326 PolarHBondContact O-N 3.14Å; E324-R327 VanDerWaalsContact CD-NH2 3.25Å; E324-R327 WeakPolarHBondContact O-CB 3.23Å; E324-R327 PolarHBondContact O-N 3.34Å; E324-R327 IonicContact OE1-CZ 3.02Å; E324-R327 IonicContact OE1-NE 2.95Å; E324-R327 IonicContact OE1-NH2 3.3Å; E324-R327 PolarHBondContact OE1-NH2 3.06Å; E324-R327 IonicContact OE2-CZ 2.81Å; E324-R327 VanDerWaalsContact OE2-CZ 3.3Å; E324-R327 IonicContact OE2-NE 3.62Å; E324-R327 PolarHBondContact OE2-NE 2.72Å; E324-R327 IonicContact OE2-NH2 3.68Å; E324-R327 PolarHBondContact OE2-NH2 3.12Å; E324-R328 WeakPolarHBondContact O-CG 3.32Å; E324-R328 PolarHBondContact O-N 2.75Å; E324-R328 IonicContact OE1-CZ 2.82Å; E324-R328 VanDerWaalsContact OE1-CZ 3.25Å; E324-R328 IonicContact OE1-NE 3.6Å; E324-R328 PolarHBondContact OE1-NE 3.12Å; E324-R328 IonicContact OE1-NH2 3.6Å; E324-R328 PolarHBondContact OE1-NH2 3.35Å
325	P	98.6	Very high	97.9	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66.1	-29.1	174	24	-33.3	0	0	0	113.3	V292 L297 V305 Y322 R328 G329 I330 F331	V292-P325 HydrophobicContact CB-CG 4.19Å; V292-P325 HydrophobicContact CG1-CG 4.11Å; L297-P325 HydrophobicContact CD1-CB 4.42Å; V305-P325 HydrophobicContact CB-CB 3.78Å; V305-P325 HydrophobicContact CB-CG 4.2Å; V305-P325 HydrophobicContact CG1-CB 4.28Å; V305-P325 HydrophobicContact CG1-CG 4.14Å; V305-P325 HydrophobicContact CG2-CB 3.6Å; V305-P325 HydrophobicContact CG2-CG 4.16Å; Y322-P325 HydrophobicContact CD1-CG 4.26Å; Y322-P325 VanDerWaalsContact O-CD 3.24Å; Y322-P325 WeakPolarHBondContact O-CD 3.41Å; Y322-P325 VanDerWaalsContact O-CG 3.3Å; Y322-P325 WeakPolarHBondContact O-CG 3.33Å; P325-R328 PolarHBondContact O-N 3.25Å; P325-G329 PolarHBondContact O-N 2.84Å; P325-I330 HydrophobicContact CB-CD1 4.35Å; P325-I330 HydrophobicContact CB-CG1 3.84Å; P325-I330 WeakPolarHBondContact O-CG1 3.44Å; P325-I330 PolarHBondContact O-N 2.84Å; P325-F331 HydrophobicContact CB-CB 4.26Å; P325-F331 PolarHBondContact O-N 3.4Å
326	K	98.6	Very high	97.9	Very high	89 Å²	89	68.8 Å²	68.8	39%	0.387	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-45.3	171.1	-74.5	172.1	-178.3	174.6	0	111.4	D320 Y322 Q323 E324 R328 G329 F331	D320-K326 IonicContact OD1-NZ 3.85Å; D320-K326 VanDerWaalsContact OD2-CD 3.3Å; D320-K326 WeakPolarHBondContact OD2-CD 3.46Å; D320-K326 WeakPolarHBondContact OD2-CE 3.36Å; D320-K326 IonicContact OD2-NZ 3.45Å; D320-K326 PolarHBondContact OD2-NZ 3.07Å; Y322-K326 WeakPolarHBondContact O-CB 3.3Å; Y322-K326 VanDerWaalsContact O-CG 3.25Å; Y322-K326 WeakPolarHBondContact O-CG 3.25Å; Y322-K326 PolarHBondContact O-N 3.12Å; Y322-K326 VanDerWaalsContact O-N 3.11Å; Q323-K326 PolarHBondContact O-N 2.97Å; E324-K326 VanDerWaalsContact C-N 3.29Å; E324-K326 PolarHBondContact O-N 3.14Å; K326-R328 VanDerWaalsContact C-N 3.26Å; K326-R328 PolarHBondContact O-N 3.1Å; K326-G329 PolarHBondContact O-N 2.85Å; K326-F331 HydrophobicContact CB-CB 4.44Å; K326-F331 HydrophobicContact CD-CD1 4.38Å; K326-F331 HydrophobicContact CG-CB 3.67Å; K326-F331 HydrophobicContact CG-CD1 3.81Å; K326-F331 HydrophobicContact CG-CG 3.74Å
327	R	98.4	Very high	98	Very high	182 Å²	182	63.6 Å²	63.6	69%	0.687	34%	0.337	S	S	*	.	H	α-helix	trans	-58.7	-37.1	175.1	-173.2	-177.7	71.9	99.3	-0.1	112.4	Q323 E324 G329	Q323-R327 WeakPolarHBondContact O-CB 3.3Å; Q323-R327 PolarHBondContact O-N 2.75Å; E324-R327 VanDerWaalsContact CD-NH2 3.25Å; E324-R327 WeakPolarHBondContact O-CB 3.23Å; E324-R327 PolarHBondContact O-N 3.34Å; E324-R327 IonicContact OE1-CZ 3.02Å; E324-R327 IonicContact OE1-NE 2.95Å; E324-R327 IonicContact OE1-NH2 3.3Å; E324-R327 PolarHBondContact OE1-NH2 3.06Å; E324-R327 IonicContact OE2-CZ 2.81Å; E324-R327 VanDerWaalsContact OE2-CZ 3.3Å; E324-R327 IonicContact OE2-NE 3.62Å; E324-R327 PolarHBondContact OE2-NE 2.72Å; E324-R327 IonicContact OE2-NH2 3.68Å; E324-R327 PolarHBondContact OE2-NH2 3.12Å; R327-G329 VanDerWaalsContact C-N 3.3Å
328	R	98.3	Very high	98	Very high	95 Å²	95	59 Å²	59	36%	0.358	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.6	175.9	-66.5	-176.6	-168.5	-156.2	1.7	114.1	A294 E324 P325 K326 I330	A294-R328 VanDerWaalsContact CB-NH2 3.33Å; E324-R328 WeakPolarHBondContact O-CG 3.32Å; E324-R328 PolarHBondContact O-N 2.75Å; E324-R328 IonicContact OE1-CZ 2.82Å; E324-R328 VanDerWaalsContact OE1-CZ 3.25Å; E324-R328 IonicContact OE1-NE 3.6Å; E324-R328 PolarHBondContact OE1-NE 3.12Å; E324-R328 IonicContact OE1-NH2 3.6Å; E324-R328 PolarHBondContact OE1-NH2 3.35Å; P325-R328 PolarHBondContact O-N 3.25Å; K326-R328 VanDerWaalsContact C-N 3.26Å; K326-R328 PolarHBondContact O-N 3.1Å; R328-I330 VanDerWaalsContact C-N 3.28Å; R328-I330 HydrophobicContact CB-CD1 4.22Å; R328-I330 HydrophobicContact CB-CG1 3.99Å; R328-I330 HydrophobicContact CB-CG2 4.43Å; R328-I330 PolarHBondContact O-N 2.65Å
329	G	98.5	Very high	97.9	Very high	59 Å²	59	63 Å²	63	61%	0.608	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	16.6	-177.6	0	0	0	0	0	114.8	P325 K326 R327	P325-G329 PolarHBondContact O-N 2.84Å; K326-G329 PolarHBondContact O-N 2.85Å; R327-G329 VanDerWaalsContact C-N 3.3Å
330	I	98.6	Very high	97.8	Very high	32 Å²	32	62.6 Å²	62.6	16%	0.164	32%	0.319	C	S	.	.			trans	-107	3	-176.1	66.2	176	0	0	0	113.4	L297 D303 L304 V305 P325 R328	L297-I330 HydrophobicContact CD1-CD1 4.49Å; L297-I330 HydrophobicContact CD2-CD1 4.44Å; D303-I330 WeakPolarHBondContact O-CB 3.26Å; D303-I330 WeakPolarHBondContact O-CG2 3.39Å; L304-I330 WeakPolarHBondContact CD1-O 3.29Å; V305-I330 HydrophobicContact CG2-CD1 4.36Å; V305-I330 HydrophobicContact CG2-CG1 4.5Å; V305-I330 PolarHBondContact N-O 2.98Å; P325-I330 HydrophobicContact CB-CD1 4.35Å; P325-I330 HydrophobicContact CB-CG1 3.84Å; P325-I330 WeakPolarHBondContact O-CG1 3.44Å; P325-I330 PolarHBondContact O-N 2.84Å; R328-I330 VanDerWaalsContact C-N 3.28Å; R328-I330 HydrophobicContact CB-CD1 4.22Å; R328-I330 HydrophobicContact CB-CG1 3.99Å; R328-I330 HydrophobicContact CB-CG2 4.43Å; R328-I330 PolarHBondContact O-N 2.65Å
331	F	98.8	Very high	97.8	Very high	37 Å²	37	62.2 Å²	62.2	16%	0.162	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.8	175.9	-179.9	-98.2	0	0	0	111.8	V305 H307 I312 Y322 P325 K326 Q333	V305-F331 HydrophobicContact CG1-CD2 4.28Å; V305-F331 CarbonylContact O-C 3.55Å; V305-F331 WeakPolarHBondContact O-CA 3.48Å; H307-F331 HydrophobicContact CB-CE2 3.83Å; H307-F331 HydrophobicContact CB-CZ 3.93Å; I312-F331 HydrophobicContact CD1-CZ 4.3Å; Y322-F331 AromaticContact CD1-CD2 3.77Å; Y322-F331 HydrophobicContact CD1-CD2 3.77Å; Y322-F331 AromaticContact CD1-CE2 3.5Å; Y322-F331 HydrophobicContact CD1-CE2 3.5Å; Y322-F331 HydrophobicContact CD2-CE2 4.25Å; Y322-F331 HydrophobicContact CE1-CE2 4.11Å; Y322-F331 HydrophobicContact CG-CD2 4.03Å; Y322-F331 AromaticContact CG-CE2 3.58Å; Y322-F331 HydrophobicContact CG-CE2 3.58Å; Y322-F331 HydrophobicContact CG-CZ 4.43Å; P325-F331 HydrophobicContact CB-CB 4.26Å; P325-F331 PolarHBondContact O-N 3.4Å; K326-F331 HydrophobicContact CB-CB 4.44Å; K326-F331 HydrophobicContact CD-CD1 4.38Å; K326-F331 HydrophobicContact CG-CB 3.67Å; K326-F331 HydrophobicContact CG-CD1 3.81Å; K326-F331 HydrophobicContact CG-CG 3.74Å; F331-Q333 HydrophobicContact CE1-CB 4.41Å
332	R	98.3	Very high	97.6	Very high	152 Å²	152	62.6 Å²	62.6	57%	0.574	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.2	174.4	-64.1	-64.9	-171.3	176.3	1.4	110.9	L304 V305 C306 H307	L304-R332 HydrophobicContact CD1-CG 3.8Å; L304-R332 HydrophobicContact CD2-CG 4.2Å; L304-R332 HydrophobicContact CG-CG 4.17Å; V305-R332 PolarHBondContact O-N 2.83Å; C306-R332 VanDerWaalsContact CA-O 3.27Å; C306-R332 WeakPolarHBondContact CA-O 3.49Å; H307-R332 PolarHBondContact N-O 3.49Å
333	Q	98	Very high	97.3	Very high	116 Å²	116	64.1 Å²	64.1	54%	0.542	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.9	172.6	-162.6	174	11.1	0	0	110.1	H307 G308 K309 F331	H307-Q333 WeakPolarHBondContact O-CA 3.45Å; G308-Q333 WeakPolarHBondContact O-CG 3.35Å; G308-Q333 PolarHBondContact O-NE2 2.69Å; K309-Q333 HydrophobicContact CG-CG 4.46Å; F331-Q333 HydrophobicContact CE1-CB 4.41Å
334	I	98.3	Very high	97.1	Very high	22 Å²	22	62.6 Å²	62.6	11%	0.113	33%	0.325	C	S	.	.			trans	-121	129.7	-175.9	-56.3	-61.6	0	0	0	109.7	F232 K235 V236 L239 C306 H307 G308 K309	F232-I334 HydrophobicContact CD2-CB 4.23Å; F232-I334 HydrophobicContact CD2-CG2 4.32Å; F232-I334 HydrophobicContact CE2-CB 4.05Å; K235-I334 HydrophobicContact CB-CG2 3.69Å; K235-I334 HydrophobicContact CD-CG2 4.46Å; V236-I334 HydrophobicContact CG2-CB 4.47Å; V236-I334 HydrophobicContact CG2-CG1 4.15Å; V236-I334 HydrophobicContact CG2-CG2 4.44Å; L239-I334 HydrophobicContact CD1-CD1 3.76Å; L239-I334 HydrophobicContact CD1-CG1 4.18Å; L239-I334 HydrophobicContact CD2-CD1 3.93Å; L239-I334 HydrophobicContact CG-CD1 4.34Å; C306-I334 HydrophobicContact CB-CG1 4.11Å; H307-I334 PolarHBondContact O-N 3.17Å; G308-I334 CarbonylContact C-O 3.56Å; G308-I334 VanDerWaalsContact CA-O 3.25Å; G308-I334 WeakPolarHBondContact CA-O 3.43Å; K309-I334 PolarHBondContact N-O 2.88Å
335	D	98.1	Very high	96.9	Very high	69 Å²	69	61.4 Å²	61.4	37%	0.369	32%	0.32	S	S	.	.			trans	-88.7	111.1	173.6	-169.1	-14.5	0	0	0	109.9	K235 K309 G337	K235-D335 WeakPolarHBondContact CD-O 3.45Å; K235-D335 WeakPolarHBondContact CE-O 3.4Å; K235-D335 PolarHBondContact NZ-O 3.43Å; K309-D335 HydrophobicContact CD-CB 3.8Å; K309-D335 WeakPolarHBondContact CD-OD2 3.45Å; K309-D335 WeakPolarHBondContact CE-OD2 3.29Å; K309-D335 HydrophobicContact CG-CB 4.16Å; K309-D335 IonicContact NZ-OD2 3.79Å; K309-D335 PolarHBondContact NZ-OD2 3.11Å; D335-G337 PolarHBondContact O-N 3.29Å; D335-G337 PolarHBondContact OD1-N 2.85Å
336	S	96.7	Very high	96.4	Very high	18 Å²	18	61.5 Å²	61.5	13%	0.126	32%	0.32	C	S	.	.			trans	-65.4	-25.1	175.4	63.7	0	0	0	0	112.3	K235 S338	K235-S336 WeakPolarHBondContact CE-O 3.43Å; K235-S336 PolarHBondContact NZ-O 2.95Å; S336-S338 PolarHBondContact OG-N 3.27Å; S336-S338 VanDerWaalsContact OG-N 3.16Å; S336-S338 PolarHBondContact OG-O 3.29Å
337	G	95.9	Very high	96	Very high	61 Å²	61	62 Å²	62	63%	0.629	32%	0.324	S	S	*	.	S	Bend	trans	75.6	3.2	-169.3	0	0	0	0	0	113.7	D335	D335-G337 PolarHBondContact O-N 3.29Å; D335-G337 PolarHBondContact OD1-N 2.85Å
338	S	95.5	Very high	95.6	Very high	30 Å²	30	56.2 Å²	56.2	21%	0.21	30%	0.302	C	S	.	.			trans	-111.4	134.2	176.4	163.2	0	0	0	0	109.9	G228 S336 L340	G228-S338 WeakPolarHBondContact CA-OG 3.39Å; S336-S338 PolarHBondContact OG-N 3.27Å; S336-S338 VanDerWaalsContact OG-N 3.16Å; S336-S338 PolarHBondContact OG-O 3.29Å; S338-L340 WeakPolarHBondContact OG-CB 3.22Å; S338-L340 PolarHBondContact OG-N 2.76Å; S338-L340 VanDerWaalsContact OG-N 3.1Å
339	N	95.6	Very high	95	Very high	139 Å²	139	52.2 Å²	52.2	74%	0.743	29%	0.287	S	S	*	.			trans	-91.5	-3.9	170.7	63	-2.2	0	0	0	113.1	T341 L344	N339-T341 PolarHBondContact O-N 3.05Å; N339-L344 WeakPolarHBondContact O-CD1 3.38Å
340	L	96.1	Very high	94	Very high	15 Å²	15	50.6 Å²	50.6	8%	0.079	27%	0.265	C	S	.	.			trans	-64.6	129.9	-177.1	-170	71.4	0	0	0	112.1	F71 H226 I227 S338 L344 I345	F71-L340 HydrophobicContact CE1-CD2 4Å; H226-L340 HydrophobicContact CB-CD2 4.18Å; H226-L340 PolarHBondContact CE1-O 3.46Å; I227-L340 HydrophobicContact CG2-CD2 3.69Å; S338-L340 WeakPolarHBondContact OG-CB 3.22Å; S338-L340 PolarHBondContact OG-N 2.76Å; S338-L340 VanDerWaalsContact OG-N 3.1Å; L340-L344 HydrophobicContact CD1-CB 4.29Å; L340-I345 HydrophobicContact CD1-CG1 3.81Å; L340-I345 HydrophobicContact CD2-CD1 4.07Å; L340-I345 HydrophobicContact CD2-CG1 4.14Å; L340-I345 HydrophobicContact CG-CD1 4.25Å; L340-I345 HydrophobicContact CG-CG1 4.01Å
341	T	96.5	Very high	93.1	Very high	43 Å²	43	52.1 Å²	52.1	26%	0.264	28%	0.276	S	S	.	.			trans	-130.3	164.1	175.7	65.1	0	0	0	0	110.7	N339 D343 L344 I345	N339-T341 PolarHBondContact O-N 3.05Å; T341-D343 PolarHBondContact O-N 3.03Å; T341-L344 PolarHBondContact O-N 2.61Å; T341-L344 VanDerWaalsContact O-N 3.07Å; T341-L344 WeakPolarHBondContact OG1-CG 3.37Å; T341-L344 PolarHBondContact OG1-N 2.98Å; T341-I345 WeakPolarHBondContact O-CG1 3.41Å; T341-I345 PolarHBondContact O-N 3.46Å
342	T	94.8	Very high	92	Very high	11 Å²	11	52.3 Å²	52.3	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-51.7	-43.1	172.4	-44.5	0	0	0	0	111.9	D223 L224 H226 Y263 I265 L344 I345 V346	D223-T342 HydrophobicContact CB-CG2 4.23Å; D223-T342 PolarHBondContact O-OG1 3.21Å; L224-T342 HydrophobicContact CB-CG2 4.15Å; L224-T342 HydrophobicContact CD1-CG2 3.84Å; L224-T342 HydrophobicContact CG-CG2 4.02Å; H226-T342 PolarHBondContact NE2-N 3.46Å; Y263-T342 HydrophobicContact CD1-CG2 4.32Å; Y263-T342 HydrophobicContact CE1-CG2 3.71Å; I265-T342 HydrophobicContact CG1-CG2 4.47Å; T342-L344 PolarHBondContact O-N 3.16Å; T342-I345 PolarHBondContact O-N 3.38Å; T342-V346 WeakPolarHBondContact O-CG2 3.35Å; T342-V346 PolarHBondContact O-N 3.02Å
343	D	92.6	Very high	90.7	Very high	41 Å²	41	50 Å²	50	22%	0.219	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-42.8	176.7	-69.6	-82.4	0	0	0	112.3	K261 Y263 T341 I345 V346 Q347	K261-D343 IonicContact NZ-OD1 2.72Å; K261-D343 PolarHBondContact NZ-OD1 3.46Å; Y263-D343 WeakPolarHBondContact CE2-OD1 3.4Å; Y263-D343 WeakPolarHBondContact OH-CA 3.47Å; Y263-D343 VanDerWaalsContact OH-CG 3.23Å; Y263-D343 PolarHBondContact OH-OD1 2.97Å; T341-D343 PolarHBondContact O-N 3.03Å; D343-I345 VanDerWaalsContact C-N 3.32Å; D343-I345 PolarHBondContact O-N 3.22Å; D343-V346 PolarHBondContact O-N 2.73Å; D343-Q347 WeakPolarHBondContact O-CG 3.42Å; D343-Q347 PolarHBondContact O-N 3.45Å
344	L	94.1	Very high	89.4	Confident	78 Å²	78	49.4 Å²	49.4	41%	0.408	27%	0.27	S	S	.	.	H	α-helix	trans	-67.4	-32.6	177.3	-69.9	174.5	0	0	0	112.5	N339 L340 T341 T342 Q347 R348	N339-L344 WeakPolarHBondContact O-CD1 3.38Å; L340-L344 HydrophobicContact CD1-CB 4.29Å; T341-L344 PolarHBondContact O-N 2.61Å; T341-L344 VanDerWaalsContact O-N 3.07Å; T341-L344 WeakPolarHBondContact OG1-CG 3.37Å; T341-L344 PolarHBondContact OG1-N 2.98Å; T342-L344 PolarHBondContact O-N 3.16Å; L344-Q347 PolarHBondContact O-N 3.16Å; L344-R348 VanDerWaalsContact O-CG 3.31Å; L344-R348 WeakPolarHBondContact O-CG 3.39Å; L344-R348 PolarHBondContact O-N 2.98Å
345	I	93.9	Very high	88.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-46.7	173.4	-67	172.1	0	0	0	110.3	M33 F71 L224 H226 L340 T341 T342 D343 Q347 R348 I349	M33-I345 HydrophobicContact SD-CG2 3.8Å; F71-I345 HydrophobicContact CE1-CG1 4.26Å; F71-I345 HydrophobicContact CZ-CD1 4.09Å; F71-I345 HydrophobicContact CZ-CG1 3.91Å; F71-I345 HydrophobicContact CZ-CG2 3.98Å; L224-I345 HydrophobicContact CD1-CG2 4.09Å; H226-I345 HydrophobicContact CB-CD1 3.47Å; H226-I345 VanDerWaalsContact CB-CD1 3.47Å; H226-I345 WeakPolarHBondContact CD2-CD1 3.42Å; L340-I345 HydrophobicContact CD1-CG1 3.81Å; L340-I345 HydrophobicContact CD2-CD1 4.07Å; L340-I345 HydrophobicContact CD2-CG1 4.14Å; L340-I345 HydrophobicContact CG-CD1 4.25Å; L340-I345 HydrophobicContact CG-CG1 4.01Å; T341-I345 WeakPolarHBondContact O-CG1 3.41Å; T341-I345 PolarHBondContact O-N 3.46Å; T342-I345 PolarHBondContact O-N 3.38Å; D343-I345 VanDerWaalsContact C-N 3.32Å; D343-I345 PolarHBondContact O-N 3.22Å; I345-Q347 VanDerWaalsContact C-N 3.27Å; I345-Q347 PolarHBondContact O-N 3.38Å; I345-R348 PolarHBondContact O-N 3.03Å; I345-I349 HydrophobicContact CG2-CD1 3.8Å; I345-I349 HydrophobicContact CG2-CG1 4.48Å; I345-I349 WeakPolarHBondContact O-CG1 3.11Å; I345-I349 PolarHBondContact O-N 3.45Å
346	V	90	Very high	86.7	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-56.1	-45.6	175.5	171.6	0	0	0	0	110.3	M153 T157 Y263 T342 D343 I349 I350	M153-V346 HydrophobicContact CB-CG1 4.33Å; M153-V346 HydrophobicContact CB-CG2 4.2Å; M153-V346 HydrophobicContact CG-CG2 3.87Å; M153-V346 HydrophobicContact SD-CG2 3.97Å; T157-V346 HydrophobicContact CG2-CG1 3.92Å; Y263-V346 HydrophobicContact CE1-CG2 4.42Å; T342-V346 WeakPolarHBondContact O-CG2 3.35Å; T342-V346 PolarHBondContact O-N 3.02Å; D343-V346 PolarHBondContact O-N 2.73Å; V346-I349 PolarHBondContact O-N 3.07Å; V346-I350 HydrophobicContact CG1-CD1 3.75Å; V346-I350 WeakPolarHBondContact O-CD1 3.45Å; V346-I350 VanDerWaalsContact O-CG1 3.27Å; V346-I350 WeakPolarHBondContact O-CG1 3.41Å; V346-I350 PolarHBondContact O-N 3.31Å; V346-I350 VanDerWaalsContact O-N 3.13Å
347	Q	88.8	Confident	85.3	Confident	99 Å²	99	55.2 Å²	55.2	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-49	177.1	-66.3	-57.4	-35.6	0	0	112.5	D343 L344 I345 I349 I350 T351	D343-Q347 WeakPolarHBondContact O-CG 3.42Å; D343-Q347 PolarHBondContact O-N 3.45Å; L344-Q347 PolarHBondContact O-N 3.16Å; I345-Q347 VanDerWaalsContact C-N 3.27Å; I345-Q347 PolarHBondContact O-N 3.38Å; Q347-I349 VanDerWaalsContact C-N 3.28Å; Q347-I349 PolarHBondContact O-N 2.82Å; Q347-I350 PolarHBondContact O-N 2.89Å; Q347-T351 PolarHBondContact O-N 2.89Å; Q347-T351 PolarHBondContact O-OG1 3.43Å; Q347-T351 VanDerWaalsContact O-OG1 3.12Å
348	R	90.5	Very high	84	Confident	62 Å²	62	54.2 Å²	54.2	23%	0.234	27%	0.274	C	S	.	.	H	α-helix	trans	-55.6	-43.4	177.9	-75.1	169.6	69.6	165.2	8.9	112.1	V70 E75 L344 I345 N352	V70-R348 HydrophobicContact CG1-CB 3.95Å; V70-R348 PolarHBondContact O-NE 2.88Å; V70-R348 PolarHBondContact O-NH2 3.31Å; E75-R348 IonicContact OE1-CZ 3.74Å; E75-R348 IonicContact OE1-NH1 3.92Å; E75-R348 PolarHBondContact OE1-NH1 3.45Å; E75-R348 IonicContact OE1-NH2 2.84Å; E75-R348 PolarHBondContact OE1-NH2 2.87Å; E75-R348 IonicContact OE2-CZ 3.36Å; E75-R348 IonicContact OE2-NH1 2.98Å; E75-R348 IonicContact OE2-NH2 2.7Å; E75-R348 PolarHBondContact OE2-NH2 2.95Å; L344-R348 VanDerWaalsContact O-CG 3.31Å; L344-R348 WeakPolarHBondContact O-CG 3.39Å; L344-R348 PolarHBondContact O-N 2.98Å; I345-R348 PolarHBondContact O-N 3.03Å; R348-N352 WeakPolarHBondContact O-CB 3.47Å; R348-N352 PolarHBondContact O-N 3.4Å; R348-N352 PolarHBondContact O-OD1 3.17Å
349	I	85.1	Confident	82.7	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.051	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-41.8	-179.2	-73.4	175.7	0	0	0	111.1	M33 V70 V150 M153 I345 V346 Q347 R353	M33-I349 HydrophobicContact CG-CD1 4.37Å; M33-I349 HydrophobicContact SD-CD1 4.48Å; V70-I349 HydrophobicContact CB-CG1 4.44Å; V70-I349 HydrophobicContact CG1-CG1 3.68Å; V70-I349 HydrophobicContact CG2-CG1 4.02Å; V150-I349 HydrophobicContact CG1-CG2 4.19Å; V150-I349 HydrophobicContact CG2-CG2 3.94Å; M153-I349 HydrophobicContact CE-CD1 3.53Å; M153-I349 HydrophobicContact SD-CB 4.39Å; M153-I349 HydrophobicContact SD-CD1 3.34Å; M153-I349 WeakPolarHBondContact SD-CD1 3.24Å; M153-I349 HydrophobicContact SD-CG1 4.37Å; M153-I349 HydrophobicContact SD-CG2 4.43Å; I345-I349 HydrophobicContact CG2-CD1 3.8Å; I345-I349 HydrophobicContact CG2-CG1 4.48Å; I345-I349 WeakPolarHBondContact O-CG1 3.11Å; I345-I349 PolarHBondContact O-N 3.45Å; V346-I349 PolarHBondContact O-N 3.07Å; Q347-I349 VanDerWaalsContact C-N 3.28Å; Q347-I349 PolarHBondContact O-N 2.82Å; I349-R353 WeakPolarHBondContact O-CB 3.32Å; I349-R353 PolarHBondContact O-N 2.92Å
350	I	78	Confident	81.3	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-69	-44.6	-179.8	-68.2	168	0	0	0	110.9	L154 T157 V346 Q347 N352 R353 L354	L154-I350 HydrophobicContact CD2-CG1 4.15Å; T157-I350 HydrophobicContact CG2-CD1 3.14Å; V346-I350 HydrophobicContact CG1-CD1 3.75Å; V346-I350 WeakPolarHBondContact O-CD1 3.45Å; V346-I350 VanDerWaalsContact O-CG1 3.27Å; V346-I350 WeakPolarHBondContact O-CG1 3.41Å; V346-I350 PolarHBondContact O-N 3.31Å; V346-I350 VanDerWaalsContact O-N 3.13Å; Q347-I350 PolarHBondContact O-N 2.89Å; I350-N352 PolarHBondContact O-N 3.31Å; I350-R353 WeakPolarHBondContact O-CB 2.91Å; I350-R353 PolarHBondContact O-N 2.92Å; I350-R353 VanDerWaalsContact O-N 3.16Å; I350-L354 HydrophobicContact CG2-CD1 4.13Å; I350-L354 HydrophobicContact CG2-CG 4.47Å; I350-L354 WeakPolarHBondContact O-CG 3.24Å; I350-L354 PolarHBondContact O-N 3.02Å
351	T	79.9	Confident	80.2	Confident	64 Å²	64	59.8 Å²	59.8	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-49.4	175.8	-56.7	0	0	0	0	111.1	Q347 R353 L354 E355	Q347-T351 PolarHBondContact O-N 2.89Å; Q347-T351 PolarHBondContact O-OG1 3.43Å; Q347-T351 VanDerWaalsContact O-OG1 3.12Å; T351-R353 PolarHBondContact O-N 3.03Å; T351-L354 PolarHBondContact O-N 3.43Å; T351-E355 WeakPolarHBondContact O-CG 3.22Å; T351-E355 PolarHBondContact O-N 2.86Å
352	N	75.3	Confident	79.1	Confident	42 Å²	42	64.8 Å²	64.8	23%	0.225	31%	0.307	C	S	.	.	H	α-helix	trans	-59.9	-34.8	177	-84.7	32.3	0	0	0	112.6	P69 V70 R348 I350 Y356	P69-N352 PolarHBondContact O-ND2 2.62Å; V70-N352 WeakPolarHBondContact CA-ND2 3.45Å; V70-N352 HydrophobicContact CG2-CB 4.42Å; R348-N352 WeakPolarHBondContact O-CB 3.47Å; R348-N352 PolarHBondContact O-N 3.4Å; R348-N352 PolarHBondContact O-OD1 3.17Å; I350-N352 PolarHBondContact O-N 3.31Å; N352-Y356 WeakPolarHBondContact O-CB 3.24Å; N352-Y356 PolarHBondContact O-N 3.07Å
353	R	71.8	Confident	78	Confident	102 Å²	102	70.1 Å²	70.1	39%	0.385	33%	0.329	S	S	.	.	H	α-helix	trans	-68.5	-47.3	177.8	-178.1	63.4	-178.2	-141.2	0.5	111.9	I349 I350 T351 E355 Y356 E357	I349-R353 WeakPolarHBondContact O-CB 3.32Å; I349-R353 PolarHBondContact O-N 2.92Å; I350-R353 WeakPolarHBondContact O-CB 2.91Å; I350-R353 PolarHBondContact O-N 2.92Å; I350-R353 VanDerWaalsContact O-N 3.16Å; T351-R353 PolarHBondContact O-N 3.03Å; R353-E355 VanDerWaalsContact C-N 3.26Å; R353-E355 PolarHBondContact O-N 3.36Å; R353-Y356 WeakPolarHBondContact O-CB 3.41Å; R353-Y356 PolarHBondContact O-N 2.82Å; R353-Y356 VanDerWaalsContact O-N 3.11Å; R353-E357 IonicContact CZ-OE1 3.1Å; R353-E357 IonicContact NE-OE1 2.71Å; R353-E357 PolarHBondContact NE-OE1 3.28Å; R353-E357 IonicContact NH2-OE1 3.56Å; R353-E357 PolarHBondContact NH2-OE1 3.16Å; R353-E357 WeakPolarHBondContact O-CG 3.37Å; R353-E357 PolarHBondContact O-N 2.87Å
354	L	69.9	Low	77.1	Confident	105 Å²	105	73.2 Å²	73.2	55%	0.55	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-40	176.3	-69.1	172	0	0	0	111.2	I350 T351 E357 A358	I350-L354 HydrophobicContact CG2-CD1 4.13Å; I350-L354 HydrophobicContact CG2-CG 4.47Å; I350-L354 WeakPolarHBondContact O-CG 3.24Å; I350-L354 PolarHBondContact O-N 3.02Å; T351-L354 PolarHBondContact O-N 3.43Å; L354-E357 PolarHBondContact O-N 3.4Å; L354-A358 VanDerWaalsContact O-CB 3.3Å; L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.45Å
355	E	70.8	Confident	76.3	Confident	101 Å²	101	72.4 Å²	72.4	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-66.8	-38.4	174.6	-71.3	177.9	-178.5	0	0	112.8	T351 R353 R359	T351-E355 WeakPolarHBondContact O-CG 3.22Å; T351-E355 PolarHBondContact O-N 2.86Å; R353-E355 VanDerWaalsContact C-N 3.26Å; R353-E355 PolarHBondContact O-N 3.36Å; E355-R359 WeakPolarHBondContact O-CB 3.49Å; E355-R359 VanDerWaalsContact O-CG 3.31Å; E355-R359 WeakPolarHBondContact O-CG 3.38Å; E355-R359 PolarHBondContact O-N 3.39Å
356	Y	68.1	Low	75.5	Confident	103 Å²	103	80.1 Å²	80.1	40%	0.404	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-48	174.1	178	-92.9	0	0	0	111.4	N352 R353 R359 N360	N352-Y356 WeakPolarHBondContact O-CB 3.24Å; N352-Y356 PolarHBondContact O-N 3.07Å; R353-Y356 WeakPolarHBondContact O-CB 3.41Å; R353-Y356 PolarHBondContact O-N 2.82Å; R353-Y356 VanDerWaalsContact O-N 3.11Å; Y356-R359 PolarHBondContact O-N 2.58Å; Y356-N360 PolarHBondContact O-N 3.32Å
357	E	68.5	Low	74.8	Confident	27 Å²	27	84.8 Å²	84.8	13%	0.126	40%	0.402	C	S	.	.	H	α-helix	trans	-61.7	-46	178.4	-73.9	164.8	174.1	0	0	111.3	Y170 R353 L354 R359 N360 Q361	Y170-E357 PolarHBondContact OH-OE1 3.23Å; Y170-E357 PolarHBondContact OH-OE2 3.49Å; R353-E357 IonicContact CZ-OE1 3.1Å; R353-E357 IonicContact NE-OE1 2.71Å; R353-E357 PolarHBondContact NE-OE1 3.28Å; R353-E357 IonicContact NH2-OE1 3.56Å; R353-E357 PolarHBondContact NH2-OE1 3.16Å; R353-E357 WeakPolarHBondContact O-CG 3.37Å; R353-E357 PolarHBondContact O-N 2.87Å; L354-E357 PolarHBondContact O-N 3.4Å; E357-R359 VanDerWaalsContact C-N 3.3Å; E357-R359 PolarHBondContact O-N 3.38Å; E357-N360 PolarHBondContact O-N 2.91Å; E357-Q361 WeakPolarHBondContact O-CG 3.43Å; E357-Q361 PolarHBondContact O-N 3.47Å
358	A	68.8	Low	74.3	Confident	39 Å²	39	84.9 Å²	84.9	32%	0.322	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-35.4	176.3	0	0	0	0	0	112.8	L354 K362	L354-A358 VanDerWaalsContact O-CB 3.3Å; L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.45Å; A358-K362 VanDerWaalsContact O-CG 3.3Å; A358-K362 WeakPolarHBondContact O-CG 2.81Å; A358-K362 PolarHBondContact O-N 3Å; A358-K362 VanDerWaalsContact O-N 3.16Å
359	R	66.9	Low	73.8	Confident	122 Å²	122	84.6 Å²	84.6	46%	0.46	42%	0.416	S	S	.	.	H	α-helix	trans	-69.3	-41.7	174.1	-77.7	-172.7	-59.5	142.1	3	112	E355 Y356 E357 K362 K363	E355-R359 WeakPolarHBondContact O-CB 3.49Å; E355-R359 VanDerWaalsContact O-CG 3.31Å; E355-R359 WeakPolarHBondContact O-CG 3.38Å; E355-R359 PolarHBondContact O-N 3.39Å; Y356-R359 PolarHBondContact O-N 2.58Å; E357-R359 VanDerWaalsContact C-N 3.3Å; E357-R359 PolarHBondContact O-N 3.38Å; R359-K362 PolarHBondContact O-N 2.69Å; R359-K363 PolarHBondContact O-N 3.21Å
360	N	67.4	Low	73.6	Confident	60 Å²	60	91.4 Å²	91.4	32%	0.321	45%	0.445	S	S	.	.	H	α-helix	trans	-65.4	-44.9	179.7	-136.3	57.9	0	0	0	111	Y356 E357 K362 K363 E364	Y356-N360 PolarHBondContact O-N 3.32Å; E357-N360 PolarHBondContact O-N 2.91Å; N360-K362 VanDerWaalsContact C-N 3.33Å; N360-K362 PolarHBondContact O-N 3.29Å; N360-K363 WeakPolarHBondContact O-CB 3.26Å; N360-K363 PolarHBondContact O-N 3.43Å; N360-E364 PolarHBondContact ND2-OE1 3.1Å; N360-E364 WeakPolarHBondContact O-CG 3.38Å; N360-E364 PolarHBondContact O-N 3.46Å
361	Q	71.8	Confident	73.4	Confident	120 Å²	120	95 Å²	95	56%	0.561	46%	0.464	S	S	*	.	H	α-helix	trans	-57	-43.3	173.2	-72.4	175	-3.1	0	0	112.3	E357 K363 A365	E357-Q361 WeakPolarHBondContact O-CG 3.43Å; E357-Q361 PolarHBondContact O-N 3.47Å; Q361-K363 VanDerWaalsContact C-N 3.34Å; Q361-K363 PolarHBondContact O-N 3.04Å; Q361-A365 VanDerWaalsContact O-CB 3.29Å; Q361-A365 WeakPolarHBondContact O-CB 3.46Å; Q361-A365 PolarHBondContact O-N 3.06Å
362	K	73.6	Confident	73.4	Confident	148 Å²	148	96.5 Å²	96.5	64%	0.643	47%	0.467	S	S	*	.	H	α-helix	trans	-64.9	-35.7	175.5	-76.8	174.6	-177.4	176.9	0	112.8	A358 R359 N360 K366	A358-K362 VanDerWaalsContact O-CG 3.3Å; A358-K362 WeakPolarHBondContact O-CG 2.81Å; A358-K362 PolarHBondContact O-N 3Å; A358-K362 VanDerWaalsContact O-N 3.16Å; R359-K362 PolarHBondContact O-N 2.69Å; N360-K362 VanDerWaalsContact C-N 3.33Å; N360-K362 PolarHBondContact O-N 3.29Å; K362-K366 WeakPolarHBondContact O-CG 3.35Å; K362-K366 PolarHBondContact O-N 3.24Å
363	K	72.7	Confident	73.6	Confident	123 Å²	123	96.7 Å²	96.7	54%	0.535	47%	0.474	S	S	.	.	H	α-helix	trans	-69.4	-48.7	177.3	-174.5	-179.2	171.5	-172.4	0	110.6	R359 N360 Q361 A365 K366 E367	R359-K363 PolarHBondContact O-N 3.21Å; N360-K363 WeakPolarHBondContact O-CB 3.26Å; N360-K363 PolarHBondContact O-N 3.43Å; Q361-K363 VanDerWaalsContact C-N 3.34Å; Q361-K363 PolarHBondContact O-N 3.04Å; K363-A365 VanDerWaalsContact C-N 3.34Å; K363-A365 PolarHBondContact O-N 3Å; K363-K366 WeakPolarHBondContact O-CB 3.41Å; K363-K366 PolarHBondContact O-N 3.48Å; K363-K366 VanDerWaalsContact O-N 3.13Å; K363-E367 WeakPolarHBondContact CE-OE1 3.12Å; K363-E367 IonicContact NZ-OE1 2.83Å; K363-E367 WeakPolarHBondContact O-CG 2.94Å; K363-E367 PolarHBondContact O-N 3.18Å
364	E	73.3	Confident	73.6	Confident	106 Å²	106	94.1 Å²	94.1	50%	0.495	47%	0.474	S	S	.	.	H	α-helix	trans	-58.6	-44.3	176	-73.2	167.9	-161.7	0	0	111.6	N360 K366 E367 L368	N360-E364 PolarHBondContact ND2-OE1 3.1Å; N360-E364 WeakPolarHBondContact O-CG 3.38Å; N360-E364 PolarHBondContact O-N 3.46Å; E364-K366 VanDerWaalsContact C-N 3.31Å; E364-K366 PolarHBondContact O-N 3.41Å; E364-E367 PolarHBondContact O-N 3.24Å; E364-L368 WeakPolarHBondContact O-CB 3.41Å; E364-L368 PolarHBondContact O-N 2.76Å
365	A	77.8	Confident	73.8	Confident	60 Å²	60	98.5 Å²	98.5	50%	0.496	48%	0.484	S	S	.	.	H	α-helix	trans	-61.2	-38.4	176.1	0	0	0	0	0	112.7	Q361 K363 A369	Q361-A365 VanDerWaalsContact O-CB 3.29Å; Q361-A365 WeakPolarHBondContact O-CB 3.46Å; Q361-A365 PolarHBondContact O-N 3.06Å; K363-A365 VanDerWaalsContact C-N 3.34Å; K363-A365 PolarHBondContact O-N 3Å; A365-A369 VanDerWaalsContact O-CB 3.27Å; A365-A369 WeakPolarHBondContact O-CB 3.49Å; A365-A369 PolarHBondContact O-N 3.1Å
366	K	76.3	Confident	73.8	Confident	162 Å²	162	102.4 Å²	102.4	70%	0.704	49%	0.494	S	S	*	.	H	α-helix	trans	-68.7	-42.5	175.2	-77.9	178.9	178.8	-174.9	0	112.2	K362 K363 E364 A369 F370	K362-K366 WeakPolarHBondContact O-CG 3.35Å; K362-K366 PolarHBondContact O-N 3.24Å; K363-K366 WeakPolarHBondContact O-CB 3.41Å; K363-K366 PolarHBondContact O-N 3.48Å; K363-K366 VanDerWaalsContact O-N 3.13Å; E364-K366 VanDerWaalsContact C-N 3.31Å; E364-K366 PolarHBondContact O-N 3.41Å; K366-A369 PolarHBondContact O-N 2.77Å; K366-F370 WeakPolarHBondContact O-CB 3.45Å; K366-F370 PolarHBondContact O-N 2.72Å
367	E	75.9	Confident	73.7	Confident	101 Å²	101	104.1 Å²	104.1	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-43.3	177.1	-73.2	176.2	-179.1	0	0	111.2	K363 E364 F370 L371	K363-E367 WeakPolarHBondContact CE-OE1 3.12Å; K363-E367 IonicContact NZ-OE1 2.83Å; K363-E367 WeakPolarHBondContact O-CG 2.94Å; K363-E367 PolarHBondContact O-N 3.18Å; E364-E367 PolarHBondContact O-N 3.24Å; E367-F370 PolarHBondContact O-N 2.62Å; E367-L371 WeakPolarHBondContact O-CG 3.35Å; E367-L371 PolarHBondContact O-N 3.44Å
368	L	78.3	Confident	73.4	Confident	101 Å²	101	107.1 Å²	107.1	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-46.5	175.6	-170.7	68.1	0	0	0	111.4	E364 F370 L371 E372	E364-L368 WeakPolarHBondContact O-CB 3.41Å; E364-L368 PolarHBondContact O-N 2.76Å; L368-F370 VanDerWaalsContact C-N 3.29Å; L368-F370 PolarHBondContact O-N 3.01Å; L368-L371 PolarHBondContact O-N 2.87Å; L368-E372 WeakPolarHBondContact O-CB 3.47Å; L368-E372 WeakPolarHBondContact O-CG 3.41Å; L368-E372 PolarHBondContact O-N 2.92Å
369	A	80.8	Confident	73	Confident	55 Å²	55	108.9 Å²	108.9	46%	0.455	55%	0.55	S	S	.	.	H	α-helix	trans	-60.9	-37.6	176.2	0	0	0	0	0	112.4	A365 K366 A373	A365-A369 VanDerWaalsContact O-CB 3.27Å; A365-A369 WeakPolarHBondContact O-CB 3.49Å; A365-A369 PolarHBondContact O-N 3.1Å; K366-A369 PolarHBondContact O-N 2.77Å; A369-A373 WeakPolarHBondContact O-CB 3.17Å; A369-A373 PolarHBondContact O-N 3.44Å
370	F	80.6	Confident	72.3	Confident	154 Å²	154	109.7 Å²	109.7	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-65.8	-45.9	174.6	178.3	-96.5	0	0	0	111.9	K366 E367 L368 E372 A373 A374	K366-F370 WeakPolarHBondContact O-CB 3.45Å; K366-F370 PolarHBondContact O-N 2.72Å; E367-F370 PolarHBondContact O-N 2.62Å; L368-F370 VanDerWaalsContact C-N 3.29Å; L368-F370 PolarHBondContact O-N 3.01Å; F370-E372 PolarHBondContact O-N 3.26Å; F370-A373 PolarHBondContact O-N 2.74Å; F370-A374 WeakPolarHBondContact O-CB 3.35Å; F370-A374 PolarHBondContact O-N 3.34Å
371	L	73.9	Confident	71.5	Confident	101 Å²	101	112.5 Å²	112.5	53%	0.529	58%	0.58	S	S	.	*	H	α-helix	trans	-62.6	-40.4	176.5	-74	167.8	0	0	0	112.1	E367 L368 A374 R375	E367-L371 WeakPolarHBondContact O-CG 3.35Å; E367-L371 PolarHBondContact O-N 3.44Å; L368-L371 PolarHBondContact O-N 2.87Å; L371-A374 PolarHBondContact O-N 3.14Å; L371-R375 WeakPolarHBondContact O-CB 3.1Å; L371-R375 WeakPolarHBondContact O-CG 3.43Å; L371-R375 PolarHBondContact O-N 3.43Å
372	E	80.2	Confident	70.5	Confident	95 Å²	95	115.2 Å²	115.2	44%	0.444	60%	0.598	S	S	.	*	H	α-helix	trans	-65.7	-42.8	175.2	-76.1	-175.5	179.9	0	0	112.3	L368 F370 R375 R376	L368-E372 WeakPolarHBondContact O-CB 3.47Å; L368-E372 WeakPolarHBondContact O-CG 3.41Å; L368-E372 PolarHBondContact O-N 2.92Å; F370-E372 PolarHBondContact O-N 3.26Å; E372-R375 PolarHBondContact O-N 2.88Å; E372-R376 WeakPolarHBondContact O-CG 3.39Å; E372-R376 PolarHBondContact O-N 3.4Å
373	A	77.5	Confident	69.3	Low	45 Å²	45	111.4 Å²	111.4	37%	0.372	60%	0.6	S	S	.	*	H	α-helix	trans	-63.1	-43.9	175	0	0	0	0	0	111.7	A369 F370 R375 R376 H377	A369-A373 WeakPolarHBondContact O-CB 3.17Å; A369-A373 PolarHBondContact O-N 3.44Å; F370-A373 PolarHBondContact O-N 2.74Å; A373-R375 PolarHBondContact O-N 3.03Å; A373-R376 PolarHBondContact O-N 2.82Å; A373-H377 PolarHBondContact O-CD2 3.4Å; A373-H377 VanDerWaalsContact O-CD2 3.31Å; A373-H377 PolarHBondContact O-N 2.94Å
374	A	73.4	Confident	68.2	Low	48 Å²	48	113.8 Å²	113.8	40%	0.397	61%	0.613	S	S	.	*	H	α-helix	trans	-61.8	-41.1	176	0	0	0	0	0	112.1	F370 L371 H377 A378	F370-A374 WeakPolarHBondContact O-CB 3.35Å; F370-A374 PolarHBondContact O-N 3.34Å; L371-A374 PolarHBondContact O-N 3.14Å; A374-H377 PolarHBondContact O-N 3.39Å; A374-A378 PolarHBondContact O-N 3.33Å
375	R	72.8	Confident	67	Low	197 Å²	197	120.4 Å²	120.4	74%	0.743	63%	0.634	S	S	*	*	H	α-helix	trans	-63.7	-39.9	174	-79.2	179.8	176.5	175.9	0.3	112.7	L371 E372 A373 A378 A379	L371-R375 WeakPolarHBondContact O-CB 3.1Å; L371-R375 WeakPolarHBondContact O-CG 3.43Å; L371-R375 PolarHBondContact O-N 3.43Å; E372-R375 PolarHBondContact O-N 2.88Å; A373-R375 PolarHBondContact O-N 3.03Å; R375-A378 PolarHBondContact O-N 3.31Å; R375-A379 WeakPolarHBondContact O-CB 3.43Å; R375-A379 PolarHBondContact O-N 3.36Å
376	R	71.8	Confident	65.5	Low	184 Å²	184	124.3 Å²	124.3	69%	0.694	65%	0.646	S	S	*	*	H	α-helix	trans	-66.3	-37.9	176.6	-74.3	179.5	-175.2	177	5.3	112.5	E372 A373 A379	E372-R376 WeakPolarHBondContact O-CG 3.39Å; E372-R376 PolarHBondContact O-N 3.4Å; A373-R376 PolarHBondContact O-N 2.82Å; R376-A379 PolarHBondContact O-N 3.39Å
377	H	66.2	Low	63.8	Low	138 Å²	138	120.3 Å²	120.3	64%	0.639	65%	0.651	S	S	*	*	H	α-helix	trans	-69.5	-35.2	175.1	-84.5	-70.7	0	0	0	113.1	A373 A374 A379	A373-H377 PolarHBondContact O-CD2 3.4Å; A373-H377 VanDerWaalsContact O-CD2 3.31Å; A373-H377 PolarHBondContact O-N 2.94Å; A374-H377 PolarHBondContact O-N 3.39Å; H377-A379 VanDerWaalsContact C-N 3.25Å; H377-A379 PolarHBondContact O-N 3.44Å
378	A	61.8	Low	62.5	Low	90 Å²	90	122.5 Å²	122.5	74%	0.744	67%	0.666	S	S	*	*	H	α-helix	trans	-71.4	-18.4	175	0	0	0	0	0	113.7	A374 R375	A374-A378 PolarHBondContact O-N 3.33Å; R375-A378 PolarHBondContact O-N 3.31Å
379	A	59.8	Low	60.9	Low	77 Å²	77	130.6 Å²	130.6	64%	0.636	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	1.2	-179.1	0	0	0	0	0	114.2	R375 R376 H377	R375-A379 WeakPolarHBondContact O-CB 3.43Å; R375-A379 PolarHBondContact O-N 3.36Å; R376-A379 PolarHBondContact O-N 3.39Å; H377-A379 VanDerWaalsContact C-N 3.25Å; H377-A379 PolarHBondContact O-N 3.44Å
380	Q	52	Low	59.9	Low	139 Å²	139	134.4 Å²	134.4	65%	0.65	71%	0.709	S	S	*	*	S	Bend	trans	-76.3	120.8	172.1	-79.1	-177.1	-19.9	0	0	109.8	L382	Q380-L382 PolarHBondContact O-N 3.24Å
381	P	51.8	Low	58.8	Low	119 Å²	119	133.4 Å²	133.4	77%	0.773	71%	0.711	S	S	*	*			trans	-65	137.2	175.7	-4.2	16.7	0	0	0	109.6	G383	P381-G383 PolarHBondContact O-N 2.79Å
382	L	50.9	Low	57.9	Low	177 Å²	177	135.2 Å²	135.2	93%	0.927	72%	0.721	S	S	*	*			trans	-56.4	102.4	164.9	-82	150.5	0	0	0	107.7	Q380 E384	Q380-L382 PolarHBondContact O-N 3.24Å; L382-E384 PolarHBondContact O-N 3.14Å
383	G	48.8	Very low	56.6	Low	67 Å²	67	137.5 Å²	137.5	69%	0.691	74%	0.738	S	S	*	*			trans	-54.8	128.4	176.6	0	0	0	0	0	110.4	P381 R385	P381-G383 PolarHBondContact O-N 2.79Å; G383-R385 PolarHBondContact O-N 2.8Å
384	E	49.4	Very low	55.3	Low	173 Å²	173	143.3 Å²	143.3	81%	0.808	76%	0.76	S	S	*	*			trans	-47.9	122	175.4	-71.9	165	148.4	0	0	110	L382 D386	L382-E384 PolarHBondContact O-N 3.14Å; E384-D386 VanDerWaalsContact C-N 3.33Å; E384-D386 PolarHBondContact O-N 3.35Å
385	R	47.2	Very low	54.1	Low	246 Å²	246	149.7 Å²	149.7	93%	0.928	79%	0.785	S	S	*	*			trans	-79.5	92.4	160	-70.5	-173.4	-154.7	-176.9	6.2	106.3	G383 G387	G383-R385 PolarHBondContact O-N 2.8Å; R385-G387 PolarHBondContact O-N 3.19Å; R385-G387 VanDerWaalsContact O-N 3.17Å
386	D	45.4	Very low	52.8	Low	142 Å²	142	146.3 Å²	146.3	76%	0.759	79%	0.788	S	S	*	*			trans	-62.7	111.4	162.1	-78.1	-29.5	0	0	0	108.2	E384	E384-D386 VanDerWaalsContact C-N 3.33Å; E384-D386 PolarHBondContact O-N 3.35Å
387	G	41.5	Very low	51.3	Low	78 Å²	78	143.4 Å²	143.4	80%	0.804	80%	0.795	S	S	*	*			trans	-89.5	107	166.5	0	0	0	0	0	108.7	R385	R385-G387 PolarHBondContact O-N 3.19Å; R385-G387 VanDerWaalsContact O-N 3.17Å
388	D	47.9	Very low	50.1	Low	146 Å²	146	143.8 Å²	143.8	78%	0.781	81%	0.808	S	S	*	*			trans	-89.4	121.3	166.6	-95.7	-26.6	0	0	0	110.2
389	F	44.4	Very low	49	Very low	272 Å²	272	148.7 Å²	148.7	100%	1.193	81%	0.814	S	S	*	*			trans	47.2	0	156.9	-71.1	-85.4	0	0	0	122.3

Retrieved 389 of 389 residues in 92.5 ms (Link to these results)

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