B9UJC8_SCHMA Loading...

Bone morphogenetic protein-like protein

AlphaFold DB , UniProt , Accession B9UJC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene BMP, Length 931 aa.

						>B9UJC8_SCHMA|B9UJC8|BMP
METEKTKLYNLTPSTLIFLKTSNLSRLSIDYYFTILKIISVYKFQKFFDYVFENFWQLKYYSTKQFGSYLILSIRKTLILNRICKCIKVKLNKSILFIIFINLISELNFVIIYLIFIIRFLFITYCNSYITQLSLKHLIDTNVNDDDGNDDDADDDGDDYVEREQLIQSSILQSNQRKPVKFLSLPYCTTNVLSKKNSTKVRTLSRVNFFTCLIWIIIIVFSCTIKTIEAIEQLHHSTQLSNEYHLINLLQSLSIIGKQMNSNILTKSEQKTWNYLLEKIIKSQINMVKNNLDLDVSSNTTTTISSINSSSSSSIDKKGFKNNDDNIRKPSKEELIAKTPNYMFKLHERHMNDWYSFGRYESNHLLHPDYVKYLNDNPMTTDNIELYKGKKLKTHHNRHYLGMITAIRHHKHIETQEDENNELDFRSLSRSKYHMKLPYLNYFSADHTVKQHKLVFQLADIPSNEKLVAASIRIRYEAKMYSTNYTIPTELTRFCINTTTNNEINSTSFYWPLSLWLHSDQNNISNVDIQTAAIFEPDNTHCILQKSGKNSSIMNLPNGWFHIPLSQPVLYLIEQINEQTDTNKQIVIQIRSVVRKNLSLTHDFDATNNNHNEMEQSNFLKISNLNEKDEKSLDSSYWLHNAPHLFTYHRDPNLAKYLKRKPRSINYPNSQHTRQNEQNHDMNLKPLNNNNVSNKKIAKRYKRLQRLLNAQLKQQQQQKSETNQQSVRRNKQNYIKQRSRRLAQYQRRHNRASQDRYYYSDLDSTNEIVEDHDINEDISSHRKITHNSYDNNRENHHSQHQHQQYRYDITKSYHSNVLQTNNHHYLDTTCQRRELIINFDAVGWAGWVIAPQAYNARYCLGQCPFPLSTHYNTTNHAVLLQLVHLLDVARISGPCCVPHQLSSQSLLYHSQNGDVVLRVYEDMVVESCACR
					

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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	31.7	Very low	40.1	Very low	144 Å²	144	119.7 Å²	119.7	71%	0.709	58%	0.584	S	S	*	*				0	-77.5	0	-75	-80.3	-87.3	0	0	108.9	T3 E4 K5	M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.23Å; M1-E4 WeakPolarHBondContact O-CB 3.32Å; M1-E4 PolarHBondContact O-N 3.29Å; M1-K5 PolarHBondContact O-N 3.49Å
2	E	33.1	Very low	41	Very low	153 Å²	153	115.6 Å²	115.6	72%	0.715	57%	0.572	S	S	*	*	H	α-helix	trans	-62.2	-35.6	179	-68.1	164.3	122.1	0	0	113	E4 K5 T6	E2-E4 PolarHBondContact O-N 3.05Å; E2-K5 WeakPolarHBondContact O-CB 3.41Å; E2-K5 PolarHBondContact O-N 3.08Å; E2-K5 VanDerWaalsContact O-N 3.14Å; E2-T6 PolarHBondContact O-N 3.32Å; E2-T6 PolarHBondContact O-OG1 3.06Å
3	T	38.1	Very low	41.4	Very low	91 Å²	91	114.5 Å²	114.5	56%	0.558	58%	0.579	S	S	*	*	H	α-helix	trans	-63.6	-14	170.5	44.2	0	0	0	0	115.8	M1 K7	M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.23Å; T3-K7 WeakPolarHBondContact O-CE 3.41Å
4	E	41.3	Very low	41.2	Very low	108 Å²	108	112.1 Å²	112.1	51%	0.505	58%	0.577	S	S	.	*	H	α-helix	trans	-99.1	-36.4	169.3	-67.2	-63	117.6	0	0	110.5	M1 E2 T6 K7 L8	M1-E4 WeakPolarHBondContact O-CB 3.32Å; M1-E4 PolarHBondContact O-N 3.29Å; E2-E4 PolarHBondContact O-N 3.05Å; E4-T6 VanDerWaalsContact C-N 3.32Å; E4-T6 PolarHBondContact O-N 2.83Å; E4-K7 WeakPolarHBondContact O-CB 3.24Å; E4-K7 PolarHBondContact O-N 2.9Å; E4-K7 VanDerWaalsContact O-N 3.12Å; E4-K7 WeakPolarHBondContact OE1-CE 3.23Å; E4-K7 IonicContact OE1-NZ 2.63Å; E4-K7 PolarHBondContact OE1-NZ 3.07Å; E4-L8 PolarHBondContact O-N 3.29Å
5	K	36.9	Very low	41.8	Very low	125 Å²	125	108.3 Å²	108.3	54%	0.543	56%	0.561	S	S	.	*	H	α-helix	trans	-54.5	-47.2	173.1	-161.6	179.1	-176.2	-178.3	0	110.8	M1 E2 K7 L8 Y9	M1-K5 PolarHBondContact O-N 3.49Å; E2-K5 WeakPolarHBondContact O-CB 3.41Å; E2-K5 PolarHBondContact O-N 3.08Å; E2-K5 VanDerWaalsContact O-N 3.14Å; K5-K7 VanDerWaalsContact C-N 3.33Å; K5-K7 PolarHBondContact O-N 3.39Å; K5-L8 PolarHBondContact O-N 3.42Å; K5-Y9 HydrophobicContact CG-CD2 4.21Å; K5-Y9 HydrophobicContact CG-CE2 4.03Å; K5-Y9 WeakPolarHBondContact O-CD2 3.28Å; K5-Y9 PolarHBondContact O-N 2.58Å; K5-Y9 VanDerWaalsContact O-N 3.16Å
6	T	41.3	Very low	42	Very low	85 Å²	85	107.8 Å²	107.8	52%	0.521	56%	0.559	S	S	.	*	H	α-helix	trans	-66	-29	177.7	50.3	0	0	0	0	113.9	E2 E4	E2-T6 PolarHBondContact O-N 3.32Å; E2-T6 PolarHBondContact O-OG1 3.06Å; E4-T6 VanDerWaalsContact C-N 3.32Å; E4-T6 PolarHBondContact O-N 2.83Å
7	K	45.9	Very low	42.3	Very low	127 Å²	127	107.6 Å²	107.6	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-69.7	-40.4	171.5	-64.7	174.3	-173	170.2	0	111.4	T3 E4 K5 N10	T3-K7 WeakPolarHBondContact O-CE 3.41Å; E4-K7 WeakPolarHBondContact O-CB 3.24Å; E4-K7 PolarHBondContact O-N 2.9Å; E4-K7 VanDerWaalsContact O-N 3.12Å; E4-K7 WeakPolarHBondContact OE1-CE 3.23Å; E4-K7 IonicContact OE1-NZ 2.63Å; E4-K7 PolarHBondContact OE1-NZ 3.07Å; K5-K7 VanDerWaalsContact C-N 3.33Å; K5-K7 PolarHBondContact O-N 3.39Å; K7-N10 PolarHBondContact O-N 2.85Å
8	L	40	Very low	42.2	Very low	93 Å²	93	109.3 Å²	109.3	49%	0.487	56%	0.561	S	S	.	*	H	α-helix	trans	-66.6	-36.5	-178.9	-130.6	79.4	0	0	0	112.8	E4 K5 N10	E4-L8 PolarHBondContact O-N 3.29Å; K5-L8 PolarHBondContact O-N 3.42Å; L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 3.41Å
9	Y	42.9	Very low	42.2	Very low	171 Å²	171	109.3 Å²	109.3	67%	0.671	56%	0.561	S	S	*	*	H	α-helix	trans	-73	-15.6	177.8	-86.1	-79.1	0	0	0	114.3	K5	K5-Y9 HydrophobicContact CG-CD2 4.21Å; K5-Y9 HydrophobicContact CG-CE2 4.03Å; K5-Y9 WeakPolarHBondContact O-CD2 3.28Å; K5-Y9 PolarHBondContact O-N 2.58Å; K5-Y9 VanDerWaalsContact O-N 3.16Å
10	N	45.9	Very low	42.2	Very low	139 Å²	139	112.8 Å²	112.8	74%	0.743	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	9.4	179.2	-73.8	-6.4	0	0	0	113.8	K7 L8	K7-N10 PolarHBondContact O-N 2.85Å; L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 3.41Å
11	L	43.8	Very low	42	Very low	81 Å²	81	112.7 Å²	112.7	42%	0.424	58%	0.577	S	S	.	*	S	Bend	trans	-74.7	130.9	171.7	-77.9	163.1	0	0	0	110.7
12	T	50.6	Low	42.2	Very low	70 Å²	70	107.9 Å²	107.9	43%	0.429	56%	0.558	S	S	.	*			trans	-64.7	151.2	-179.7	58.4	0	0	0	0	112	S14 T15 L16	T12-S14 PolarHBondContact O-N 3.33Å; T12-S14 VanDerWaalsContact O-N 3.11Å; T12-S14 PolarHBondContact OG1-OG 2.63Å; T12-S14 VanDerWaalsContact OG1-OG 3.12Å; T12-T15 PolarHBondContact N-OG1 3.49Å; T12-T15 PolarHBondContact O-N 3.39Å; T12-T15 PolarHBondContact O-OG1 2.93Å; T12-T15 WeakPolarHBondContact OG1-CG2 3.32Å; T12-T15 PolarHBondContact OG1-N 3.27Å; T12-T15 PolarHBondContact OG1-OG1 3.42Å; T12-L16 PolarHBondContact O-N 3.5Å
13	P	46	Very low	42.3	Very low	102 Å²	102	107.9 Å²	107.9	66%	0.662	56%	0.562	S	S	*	*	H	α-helix	trans	-53.4	-35.5	175.5	-28	35.6	0	0	0	113.4	L16 I17	P13-L16 PolarHBondContact O-N 3.4Å; P13-I17 WeakPolarHBondContact O-CB 3.34Å; P13-I17 WeakPolarHBondContact O-CD1 3.31Å; P13-I17 VanDerWaalsContact O-CG1 3.24Å; P13-I17 WeakPolarHBondContact O-CG1 3.37Å; P13-I17 PolarHBondContact O-N 3.03Å
14	S	39.8	Very low	42.3	Very low	80 Å²	80	108 Å²	108	56%	0.559	56%	0.559	S	S	*	*	H	α-helix	trans	-66.2	-37.8	176.2	46.6	0	0	0	0	113.7	T12 I17 F18	T12-S14 PolarHBondContact O-N 3.33Å; T12-S14 VanDerWaalsContact O-N 3.11Å; T12-S14 PolarHBondContact OG1-OG 2.63Å; T12-S14 VanDerWaalsContact OG1-OG 3.12Å; S14-I17 PolarHBondContact O-N 3.16Å; S14-F18 WeakPolarHBondContact O-CB 3.42Å; S14-F18 PolarHBondContact O-N 3.07Å
15	T	49.2	Very low	42.1	Very low	55 Å²	55	108.1 Å²	108.1	34%	0.337	57%	0.572	S	S	.	*	H	α-helix	trans	-72.7	-34.3	173.5	52	0	0	0	0	111.9	T12 I17 F18 L19	T12-T15 PolarHBondContact N-OG1 3.49Å; T12-T15 PolarHBondContact O-N 3.39Å; T12-T15 PolarHBondContact O-OG1 2.93Å; T12-T15 WeakPolarHBondContact OG1-CG2 3.32Å; T12-T15 PolarHBondContact OG1-N 3.27Å; T12-T15 PolarHBondContact OG1-OG1 3.42Å; T15-I17 VanDerWaalsContact C-N 3.34Å; T15-I17 PolarHBondContact O-N 2.93Å; T15-F18 PolarHBondContact O-N 2.92Å; T15-L19 WeakPolarHBondContact O-CG 3.28Å; T15-L19 PolarHBondContact O-N 3.12Å
16	L	44.6	Very low	42.2	Very low	101 Å²	101	113.2 Å²	113.2	53%	0.529	59%	0.588	S	S	.	*	H	α-helix	trans	-65.4	-35.3	173.3	-154.2	84	0	0	0	112.7	T12 P13 K20	T12-L16 PolarHBondContact O-N 3.5Å; P13-L16 PolarHBondContact O-N 3.4Å; L16-K20 PolarHBondContact O-N 2.93Å
17	I	48	Very low	42.1	Very low	105 Å²	105	112.8 Å²	112.8	54%	0.538	58%	0.582	S	S	.	*	H	α-helix	trans	-71	-45.8	174.1	-71	163.2	0	0	0	110.7	P13 S14 T15 L19 K20 T21	P13-I17 WeakPolarHBondContact O-CB 3.34Å; P13-I17 WeakPolarHBondContact O-CD1 3.31Å; P13-I17 VanDerWaalsContact O-CG1 3.24Å; P13-I17 WeakPolarHBondContact O-CG1 3.37Å; P13-I17 PolarHBondContact O-N 3.03Å; S14-I17 PolarHBondContact O-N 3.16Å; T15-I17 VanDerWaalsContact C-N 3.34Å; T15-I17 PolarHBondContact O-N 2.93Å; I17-L19 VanDerWaalsContact C-N 3.3Å; I17-L19 PolarHBondContact O-N 3.5Å; I17-K20 WeakPolarHBondContact O-CA 3.45Å; I17-K20 WeakPolarHBondContact O-CB 3.35Å; I17-K20 PolarHBondContact O-N 2.86Å; I17-T21 HydrophobicContact CG2-CG2 4.5Å; I17-T21 PolarHBondContact O-N 2.77Å; I17-T21 VanDerWaalsContact O-N 3.16Å; I17-T21 PolarHBondContact O-OG1 3.47Å
18	F	39.8	Very low	41.8	Very low	138 Å²	138	109.9 Å²	109.9	61%	0.605	58%	0.578	S	S	*	*	H	α-helix	trans	-59	-39.2	178.1	-174.6	-95.5	0	0	0	112.7	S14 T15 K20 T21 S22	S14-F18 WeakPolarHBondContact O-CB 3.42Å; S14-F18 PolarHBondContact O-N 3.07Å; T15-F18 PolarHBondContact O-N 2.92Å; F18-K20 PolarHBondContact O-N 3.46Å; F18-T21 PolarHBondContact O-N 3.49Å; F18-S22 WeakPolarHBondContact O-CB 3.44Å; F18-S22 PolarHBondContact O-N 2.88Å; F18-S22 VanDerWaalsContact O-N 3.12Å; F18-S22 PolarHBondContact O-OG 3.06Å
19	L	41.9	Very low	41.8	Very low	108 Å²	108	111.2 Å²	111.2	57%	0.565	58%	0.584	S	S	*	*	H	α-helix	trans	-69.2	-16.9	173.6	-72.3	169.3	0	0	0	114	T15 I17	T15-L19 WeakPolarHBondContact O-CG 3.28Å; T15-L19 PolarHBondContact O-N 3.12Å; I17-L19 VanDerWaalsContact C-N 3.3Å; I17-L19 PolarHBondContact O-N 3.5Å
20	K	42.4	Very low	41.5	Very low	180 Å²	180	108.8 Å²	108.8	78%	0.783	58%	0.583	S	S	*	*	H	α-helix	trans	-89.6	-21.9	173.7	-90.6	-175.4	171	-176	0	114	L16 I17 F18	L16-K20 PolarHBondContact O-N 2.93Å; I17-K20 WeakPolarHBondContact O-CA 3.45Å; I17-K20 WeakPolarHBondContact O-CB 3.35Å; I17-K20 PolarHBondContact O-N 2.86Å; F18-K20 PolarHBondContact O-N 3.46Å
21	T	39	Very low	41.3	Very low	111 Å²	111	109.2 Å²	109.2	68%	0.681	58%	0.575	S	S	*	*	H	α-helix	trans	-114.2	-13.3	-170.6	57.4	0	0	0	0	114.7	I17 F18	I17-T21 HydrophobicContact CG2-CG2 4.5Å; I17-T21 PolarHBondContact O-N 2.77Å; I17-T21 VanDerWaalsContact O-N 3.16Å; I17-T21 PolarHBondContact O-OG1 3.47Å; F18-T21 PolarHBondContact O-N 3.49Å
22	S	36.3	Very low	41.2	Very low	43 Å²	43	110.8 Å²	110.8	30%	0.301	58%	0.576	S	S	.	*	S	Bend	trans	-86	127.7	-178.5	53.7	0	0	0	0	113.1	F18 L24	F18-S22 WeakPolarHBondContact O-CB 3.44Å; F18-S22 PolarHBondContact O-N 2.88Å; F18-S22 VanDerWaalsContact O-N 3.12Å; F18-S22 PolarHBondContact O-OG 3.06Å; S22-L24 PolarHBondContact O-N 3.26Å
23	N	34.6	Very low	40.9	Very low	152 Å²	152	113.3 Å²	113.3	81%	0.813	58%	0.581	S	S	*	*			trans	-72	121.4	177.3	-145.9	-15.8	0	0	0	109.7	S25	N23-S25 PolarHBondContact O-N 3.31Å
24	L	37.8	Very low	41.1	Very low	94 Å²	94	112 Å²	112	49%	0.492	57%	0.571	S	S	.	*	S	Bend	trans	-72.5	8.7	-156.7	-97.1	99.8	0	0	0	117.5	S22 R26 L27	S22-L24 PolarHBondContact O-N 3.26Å; L24-R26 PolarHBondContact O-N 3.45Å; L24-L27 HydrophobicContact CD2-CD1 4.24Å; L24-L27 HydrophobicContact CG-CD1 4.39Å
25	S	37.5	Very low	41.5	Very low	111 Å²	111	110.4 Å²	110.4	78%	0.776	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	17.4	-174	58	0	0	0	0	116.1	N23	N23-S25 PolarHBondContact O-N 3.31Å
26	R	39.2	Very low	41.5	Very low	232 Å²	232	111.4 Å²	111.4	88%	0.875	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	1.7	-171.9	-76.8	-171.3	173.6	-173.8	0.1	116.6	L24	L24-R26 PolarHBondContact O-N 3.45Å
27	L	38.2	Very low	41.5	Very low	75 Å²	75	113.3 Å²	113.3	39%	0.393	56%	0.563	S	S	.	*	S	Bend	trans	-85.8	147.4	170.6	-73	113.2	0	0	0	111	L24 Y31 I35	L24-L27 HydrophobicContact CD2-CD1 4.24Å; L24-L27 HydrophobicContact CG-CD1 4.39Å; L27-Y31 HydrophobicContact CD2-CD1 3.79Å; L27-Y31 HydrophobicContact CD2-CG 4.14Å; L27-I35 HydrophobicContact CD2-CD1 3.74Å
28	S	41	Very low	41.7	Very low	67 Å²	67	112.6 Å²	112.6	47%	0.469	56%	0.56	S	S	.	*			trans	-64.5	154.4	171.5	66.3	0	0	0	0	110.9	D30 Y31 Y32	S28-D30 PolarHBondContact O-N 3.22Å; S28-Y31 PolarHBondContact O-N 3.19Å; S28-Y32 PolarHBondContact O-N 2.89Å
29	I	38.7	Very low	42	Very low	121 Å²	121	109.8 Å²	109.8	62%	0.621	55%	0.55	S	S	*	*	H	α-helix	trans	-56	-39.8	-175.7	-67.1	171.2	0	0	0	111.2	Y32 F33	I29-Y32 PolarHBondContact O-N 2.97Å; I29-F33 HydrophobicContact CG2-CD2 3.64Å; I29-F33 HydrophobicContact CG2-CE2 3.54Å; I29-F33 VanDerWaalsContact O-CD2 3.27Å; I29-F33 WeakPolarHBondContact O-CD2 3.2Å; I29-F33 PolarHBondContact O-N 3.26Å
30	D	36.2	Very low	42.1	Very low	120 Å²	120	106.9 Å²	106.9	64%	0.642	54%	0.538	S	S	*	.	H	α-helix	trans	-65.1	-39.9	177.2	-49.7	-62.7	0	0	0	112.7	S28 T34	S28-D30 PolarHBondContact O-N 3.22Å; D30-T34 WeakPolarHBondContact O-CB 3.46Å; D30-T34 PolarHBondContact O-N 3.28Å; D30-T34 PolarHBondContact O-OG1 3.29Å
31	Y	43.5	Very low	42.4	Very low	148 Å²	148	101.7 Å²	101.7	58%	0.58	52%	0.522	S	S	*	.	H	α-helix	trans	-70.8	-37.9	176.3	-119.8	-83.8	0	0	0	111.5	L27 S28 T34 I35	L27-Y31 HydrophobicContact CD2-CD1 3.79Å; L27-Y31 HydrophobicContact CD2-CG 4.14Å; S28-Y31 PolarHBondContact O-N 3.19Å; Y31-T34 PolarHBondContact O-N 3Å; Y31-I35 HydrophobicContact CD1-CD1 4.12Å; Y31-I35 HydrophobicContact CD1-CG1 4.41Å; Y31-I35 WeakPolarHBondContact O-CB 3.22Å; Y31-I35 WeakPolarHBondContact O-CG1 3.49Å; Y31-I35 PolarHBondContact O-N 3.12Å
32	Y	41.1	Very low	42.6	Very low	114 Å²	114	102.7 Å²	102.7	45%	0.447	51%	0.514	S	S	.	.	H	α-helix	trans	-61.5	-48	173.6	178.3	-103	0	0	0	111.5	S28 I29 T34 I35 L36	S28-Y32 PolarHBondContact O-N 2.89Å; I29-Y32 PolarHBondContact O-N 2.97Å; Y32-T34 VanDerWaalsContact C-N 3.35Å; Y32-T34 PolarHBondContact O-N 3.32Å; Y32-I35 PolarHBondContact O-N 3.08Å; Y32-L36 HydrophobicContact CD1-CD1 3.92Å; Y32-L36 HydrophobicContact CE1-CD1 3.38Å; Y32-L36 HydrophobicContact CE2-CD1 4.29Å; Y32-L36 WeakPolarHBondContact O-CB 3.48Å; Y32-L36 PolarHBondContact O-N 3.4Å
33	F	44.4	Very low	43	Very low	122 Å²	122	108 Å²	108	54%	0.535	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-38.8	173.7	-83.3	-61.1	0	0	0	112.8	I29 L36 K37	I29-F33 HydrophobicContact CG2-CD2 3.64Å; I29-F33 HydrophobicContact CG2-CE2 3.54Å; I29-F33 VanDerWaalsContact O-CD2 3.27Å; I29-F33 WeakPolarHBondContact O-CD2 3.2Å; I29-F33 PolarHBondContact O-N 3.26Å; F33-L36 PolarHBondContact O-N 3.02Å; F33-K37 WeakPolarHBondContact O-CB 3.5Å; F33-K37 PolarHBondContact O-N 3.43Å
34	T	48.9	Very low	43.4	Very low	74 Å²	74	105.4 Å²	105.4	45%	0.454	51%	0.513	S	S	.	.	H	α-helix	trans	-65.8	-44.9	178.1	-58.5	0	0	0	0	111.4	D30 Y31 Y32 K37 I38	D30-T34 WeakPolarHBondContact O-CB 3.46Å; D30-T34 PolarHBondContact O-N 3.28Å; D30-T34 PolarHBondContact O-OG1 3.29Å; Y31-T34 PolarHBondContact O-N 3Å; Y32-T34 VanDerWaalsContact C-N 3.35Å; Y32-T34 PolarHBondContact O-N 3.32Å; T34-K37 WeakPolarHBondContact O-CB 3.42Å; T34-K37 PolarHBondContact O-N 3.38Å; T34-I38 HydrophobicContact CG2-CD1 4.11Å; T34-I38 WeakPolarHBondContact O-CG1 3.49Å; T34-I38 PolarHBondContact O-N 2.99Å
35	I	49.6	Very low	43.8	Very low	48 Å²	48	104.4 Å²	104.4	25%	0.246	51%	0.506	C	S	.	.	H	α-helix	trans	-64.4	-41.8	175	-71	174.5	0	0	0	111	L27 Y31 Y32 K37 I38 I39	L27-I35 HydrophobicContact CD2-CD1 3.74Å; Y31-I35 HydrophobicContact CD1-CD1 4.12Å; Y31-I35 HydrophobicContact CD1-CG1 4.41Å; Y31-I35 WeakPolarHBondContact O-CB 3.22Å; Y31-I35 WeakPolarHBondContact O-CG1 3.49Å; Y31-I35 PolarHBondContact O-N 3.12Å; Y32-I35 PolarHBondContact O-N 3.08Å; I35-K37 VanDerWaalsContact C-N 3.33Å; I35-K37 PolarHBondContact O-N 3.5Å; I35-I38 PolarHBondContact O-N 3.4Å; I35-I39 HydrophobicContact CG2-CD1 3.65Å; I35-I39 HydrophobicContact CG2-CG1 4.3Å; I35-I39 WeakPolarHBondContact O-CB 3.37Å; I35-I39 VanDerWaalsContact O-CG1 3.32Å; I35-I39 WeakPolarHBondContact O-CG1 3.35Å; I35-I39 PolarHBondContact O-N 3.17Å
36	L	48.3	Very low	44.2	Very low	75 Å²	75	106.2 Å²	106.2	39%	0.393	50%	0.5	S	S	.	.	H	α-helix	trans	-59.7	-41.8	174	-93.6	170	0	0	0	112.2	Y32 F33 I39 S40	Y32-L36 HydrophobicContact CD1-CD1 3.92Å; Y32-L36 HydrophobicContact CE1-CD1 3.38Å; Y32-L36 HydrophobicContact CE2-CD1 4.29Å; Y32-L36 WeakPolarHBondContact O-CB 3.48Å; Y32-L36 PolarHBondContact O-N 3.4Å; F33-L36 PolarHBondContact O-N 3.02Å; L36-I39 PolarHBondContact O-N 3.11Å; L36-S40 WeakPolarHBondContact O-CB 3.33Å; L36-S40 PolarHBondContact O-N 3.26Å; L36-S40 PolarHBondContact O-OG 3.4Å
37	K	46	Very low	44.3	Very low	141 Å²	141	101.1 Å²	101.1	61%	0.613	48%	0.484	S	S	*	.	H	α-helix	trans	-62	-42.5	174.4	-118.5	173.8	179.8	172.1	0	112.4	F33 T34 I35 S40 V41	F33-K37 WeakPolarHBondContact O-CB 3.5Å; F33-K37 PolarHBondContact O-N 3.43Å; T34-K37 WeakPolarHBondContact O-CB 3.42Å; T34-K37 PolarHBondContact O-N 3.38Å; I35-K37 VanDerWaalsContact C-N 3.33Å; I35-K37 PolarHBondContact O-N 3.5Å; K37-S40 PolarHBondContact O-OG 2.89Å; K37-S40 VanDerWaalsContact O-OG 3.12Å; K37-V41 WeakPolarHBondContact O-CB 3.33Å; K37-V41 VanDerWaalsContact O-CG2 3.29Å; K37-V41 WeakPolarHBondContact O-CG2 3.48Å; K37-V41 PolarHBondContact O-N 3.13Å
38	I	50.8	Low	44.5	Very low	91 Å²	91	102 Å²	102	47%	0.467	49%	0.485	S	S	.	.	H	α-helix	trans	-65.9	-42.5	176.9	-67.4	164.2	0	0	0	110.1	T34 I35 Y42	T34-I38 HydrophobicContact CG2-CD1 4.11Å; T34-I38 WeakPolarHBondContact O-CG1 3.49Å; T34-I38 PolarHBondContact O-N 2.99Å; I35-I38 PolarHBondContact O-N 3.4Å; I38-Y42 VanDerWaalsContact O-CB 3.26Å; I38-Y42 WeakPolarHBondContact O-CB 3.27Å; I38-Y42 PolarHBondContact O-N 2.92Å
39	I	46.9	Very low	44.6	Very low	79 Å²	79	102.8 Å²	102.8	41%	0.405	48%	0.484	S	S	.	.	H	α-helix	trans	-67.9	-39.1	178	-69	171	0	0	0	111.8	I35 L36 Y42 K43	I35-I39 HydrophobicContact CG2-CD1 3.65Å; I35-I39 HydrophobicContact CG2-CG1 4.3Å; I35-I39 WeakPolarHBondContact O-CB 3.37Å; I35-I39 VanDerWaalsContact O-CG1 3.32Å; I35-I39 WeakPolarHBondContact O-CG1 3.35Å; I35-I39 PolarHBondContact O-N 3.17Å; L36-I39 PolarHBondContact O-N 3.11Å; I39-Y42 PolarHBondContact O-N 2.85Å; I39-K43 HydrophobicContact CG2-CD 4.32Å; I39-K43 WeakPolarHBondContact O-CB 3.42Å; I39-K43 WeakPolarHBondContact O-CG 3.37Å; I39-K43 PolarHBondContact O-N 3.47Å
40	S	44.4	Very low	44.8	Very low	46 Å²	46	104.4 Å²	104.4	32%	0.322	48%	0.484	S	S	.	.	H	α-helix	trans	-67.1	-46.9	176.7	70.8	0	0	0	0	110.8	L36 K37 Y42 K43 F44	L36-S40 WeakPolarHBondContact O-CB 3.33Å; L36-S40 PolarHBondContact O-N 3.26Å; L36-S40 PolarHBondContact O-OG 3.4Å; K37-S40 PolarHBondContact O-OG 2.89Å; K37-S40 VanDerWaalsContact O-OG 3.12Å; S40-Y42 VanDerWaalsContact C-N 3.35Å; S40-Y42 PolarHBondContact O-N 3.42Å; S40-K43 PolarHBondContact O-N 3.28Å; S40-F44 WeakPolarHBondContact O-CB 3.35Å; S40-F44 PolarHBondContact O-N 2.88Å
41	V	47.5	Very low	45	Very low	71 Å²	71	100.9 Å²	100.9	43%	0.43	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-41.5	174.9	173.1	0	0	0	0	111.4	K37 F44 Q45	K37-V41 WeakPolarHBondContact O-CB 3.33Å; K37-V41 VanDerWaalsContact O-CG2 3.29Å; K37-V41 WeakPolarHBondContact O-CG2 3.48Å; K37-V41 PolarHBondContact O-N 3.13Å; V41-F44 PolarHBondContact O-N 2.93Å; V41-Q45 VanDerWaalsContact O-CB 3.29Å; V41-Q45 WeakPolarHBondContact O-CB 3.24Å; V41-Q45 PolarHBondContact O-N 3.19Å
42	Y	44.2	Very low	44.8	Very low	132 Å²	132	99.6 Å²	99.6	52%	0.518	46%	0.464	S	S	.	.	H	α-helix	trans	-69.5	-38.6	179.4	-156.5	-90	0	0	0	112.5	I38 I39 S40 K46	I38-Y42 VanDerWaalsContact O-CB 3.26Å; I38-Y42 WeakPolarHBondContact O-CB 3.27Å; I38-Y42 PolarHBondContact O-N 2.92Å; I39-Y42 PolarHBondContact O-N 2.85Å; S40-Y42 VanDerWaalsContact C-N 3.35Å; S40-Y42 PolarHBondContact O-N 3.42Å; Y42-K46 WeakPolarHBondContact O-CB 3.45Å; Y42-K46 PolarHBondContact O-N 3.01Å
43	K	43.9	Very low	44.8	Very low	154 Å²	154	99.6 Å²	99.6	67%	0.67	47%	0.468	S	S	*	.	H	α-helix	trans	-67.2	-44.2	172.4	-79.3	-174.8	175.8	-176.5	0	111.8	I39 S40 K46 F47	I39-K43 HydrophobicContact CG2-CD 4.32Å; I39-K43 WeakPolarHBondContact O-CB 3.42Å; I39-K43 WeakPolarHBondContact O-CG 3.37Å; I39-K43 PolarHBondContact O-N 3.47Å; S40-K43 PolarHBondContact O-N 3.28Å; K43-K46 PolarHBondContact O-N 2.91Å; K43-F47 WeakPolarHBondContact O-CB 3.25Å; K43-F47 PolarHBondContact O-N 3.47Å
44	F	43.3	Very low	44.6	Very low	99 Å²	99	98.8 Å²	98.8	43%	0.434	47%	0.469	S	S	.	.	H	α-helix	trans	-62.5	-46.8	178.4	-175.1	-90.4	0	0	0	110.7	S40 V41 F47 F48	S40-F44 WeakPolarHBondContact O-CB 3.35Å; S40-F44 PolarHBondContact O-N 2.88Å; V41-F44 PolarHBondContact O-N 2.93Å; F44-F47 PolarHBondContact O-N 3.42Å; F44-F48 HydrophobicContact CD1-CD2 4.08Å; F44-F48 AromaticContact CE1-CD2 3.41Å; F44-F48 HydrophobicContact CE1-CD2 3.41Å; F44-F48 VanDerWaalsContact CE1-CD2 3.41Å; F44-F48 AromaticContact CE1-CE2 3.73Å; F44-F48 HydrophobicContact CE1-CE2 3.73Å; F44-F48 HydrophobicContact CE1-CG 4.27Å; F44-F48 HydrophobicContact CE2-CD2 4.27Å; F44-F48 HydrophobicContact CE2-CE2 4.31Å; F44-F48 AromaticContact CZ-CD2 3.53Å; F44-F48 HydrophobicContact CZ-CD2 3.53Å; F44-F48 AromaticContact CZ-CE2 3.46Å; F44-F48 HydrophobicContact CZ-CE2 3.46Å; F44-F48 VanDerWaalsContact CZ-CE2 3.46Å; F44-F48 WeakPolarHBondContact O-CB 3.44Å; F44-F48 PolarHBondContact O-N 2.86Å
45	Q	45.8	Very low	43.8	Very low	73 Å²	73	103.1 Å²	103.1	34%	0.341	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-45	175.5	-178.5	168	-0.4	0	0	111.3	V41 F47 F48 D49	V41-Q45 VanDerWaalsContact O-CB 3.29Å; V41-Q45 WeakPolarHBondContact O-CB 3.24Å; V41-Q45 PolarHBondContact O-N 3.19Å; Q45-F47 PolarHBondContact O-N 2.93Å; Q45-F48 CarbonylContact O-C 3.6Å; Q45-F48 PolarHBondContact O-N 3.02Å; Q45-D49 WeakPolarHBondContact CG-OD2 3.46Å; Q45-D49 WeakPolarHBondContact O-CB 3.32Å; Q45-D49 PolarHBondContact O-N 3.28Å
46	K	46.2	Very low	43	Very low	148 Å²	148	109.6 Å²	109.6	64%	0.643	50%	0.504	S	S	*	.	H	α-helix	trans	-64.5	-30	178.4	-148.4	-179	-170.9	-168.9	0	112.9	Y42 K43 Y50	Y42-K46 WeakPolarHBondContact O-CB 3.45Å; Y42-K46 PolarHBondContact O-N 3.01Å; K43-K46 PolarHBondContact O-N 2.91Å; K46-Y50 VanDerWaalsContact O-CB 3.28Å; K46-Y50 WeakPolarHBondContact O-CB 3.29Å; K46-Y50 PolarHBondContact O-N 3.29Å
47	F	42.3	Very low	42.2	Very low	126 Å²	126	112.7 Å²	112.7	55%	0.553	52%	0.516	S	S	*	.	H	α-helix	trans	-72	-41.2	169.4	176.5	-99.5	0	0	0	111.9	K43 F44 Q45 Y50 V51	K43-F47 WeakPolarHBondContact O-CB 3.25Å; K43-F47 PolarHBondContact O-N 3.47Å; F44-F47 PolarHBondContact O-N 3.42Å; Q45-F47 PolarHBondContact O-N 2.93Å; F47-Y50 PolarHBondContact O-N 3.47Å; F47-V51 HydrophobicContact CD1-CG2 4.26Å; F47-V51 HydrophobicContact CD2-CG2 4.33Å; F47-V51 HydrophobicContact CE1-CG2 3.88Å; F47-V51 HydrophobicContact CE2-CG2 3.96Å; F47-V51 HydrophobicContact CG-CG2 4.48Å; F47-V51 HydrophobicContact CZ-CG2 3.72Å; F47-V51 WeakPolarHBondContact O-CB 3.5Å; F47-V51 VanDerWaalsContact O-CG2 3.29Å; F47-V51 WeakPolarHBondContact O-CG2 3.27Å; F47-V51 PolarHBondContact O-N 3.45Å
48	F	41.9	Very low	41.3	Very low	92 Å²	92	113.8 Å²	113.8	40%	0.404	53%	0.528	S	S	.	.	H	α-helix	trans	-66.3	-46.9	177.8	-123	-90.6	0	0	0	111.9	F44 Q45 Y50 V51 F52	F44-F48 HydrophobicContact CD1-CD2 4.08Å; F44-F48 AromaticContact CE1-CD2 3.41Å; F44-F48 HydrophobicContact CE1-CD2 3.41Å; F44-F48 VanDerWaalsContact CE1-CD2 3.41Å; F44-F48 AromaticContact CE1-CE2 3.73Å; F44-F48 HydrophobicContact CE1-CE2 3.73Å; F44-F48 HydrophobicContact CE1-CG 4.27Å; F44-F48 HydrophobicContact CE2-CD2 4.27Å; F44-F48 HydrophobicContact CE2-CE2 4.31Å; F44-F48 AromaticContact CZ-CD2 3.53Å; F44-F48 HydrophobicContact CZ-CD2 3.53Å; F44-F48 AromaticContact CZ-CE2 3.46Å; F44-F48 HydrophobicContact CZ-CE2 3.46Å; F44-F48 VanDerWaalsContact CZ-CE2 3.46Å; F44-F48 WeakPolarHBondContact O-CB 3.44Å; F44-F48 PolarHBondContact O-N 2.86Å; Q45-F48 CarbonylContact O-C 3.6Å; Q45-F48 PolarHBondContact O-N 3.02Å; F48-Y50 VanDerWaalsContact C-N 3.31Å; F48-Y50 PolarHBondContact O-N 3.31Å; F48-V51 PolarHBondContact O-N 2.9Å; F48-F52 VanDerWaalsContact O-CB 3.28Å; F48-F52 WeakPolarHBondContact O-CB 3.32Å; F48-F52 PolarHBondContact O-N 2.86Å
49	D	43.6	Very low	40.1	Very low	85 Å²	85	117.7 Å²	117.7	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-57.5	-45.7	175	-62.2	-18.2	0	0	0	110	Q45 F52 E53	Q45-D49 WeakPolarHBondContact CG-OD2 3.46Å; Q45-D49 WeakPolarHBondContact O-CB 3.32Å; Q45-D49 PolarHBondContact O-N 3.28Å; D49-F52 PolarHBondContact O-N 3.14Å; D49-E53 WeakPolarHBondContact O-CB 3.39Å; D49-E53 WeakPolarHBondContact O-CG 3.36Å; D49-E53 PolarHBondContact O-N 3.36Å
50	Y	42.3	Very low	39.3	Very low	155 Å²	155	125 Å²	125	61%	0.608	57%	0.565	S	S	*	*	H	α-helix	trans	-62.1	-43.3	174.8	176.3	-96.3	0	0	0	112.9	K46 F47 F48 N54	K46-Y50 VanDerWaalsContact O-CB 3.28Å; K46-Y50 WeakPolarHBondContact O-CB 3.29Å; K46-Y50 PolarHBondContact O-N 3.29Å; F47-Y50 PolarHBondContact O-N 3.47Å; F48-Y50 VanDerWaalsContact C-N 3.31Å; F48-Y50 PolarHBondContact O-N 3.31Å; Y50-N54 WeakPolarHBondContact CD2-ND2 3.3Å; Y50-N54 VanDerWaalsContact CE2-ND2 3.34Å; Y50-N54 WeakPolarHBondContact CE2-ND2 3.48Å; Y50-N54 WeakPolarHBondContact O-CB 3.19Å; Y50-N54 PolarHBondContact O-N 3.41Å; Y50-N54 VanDerWaalsContact O-N 3.17Å; Y50-N54 PolarHBondContact O-ND2 2.95Å
51	V	40.2	Very low	38.5	Very low	46 Å²	46	134.1 Å²	134.1	28%	0.279	60%	0.595	S	S	.	*	H	α-helix	trans	-69.1	-39.1	177.4	167.8	0	0	0	0	111.1	F47 F48 N54 F55	F47-V51 HydrophobicContact CD1-CG2 4.26Å; F47-V51 HydrophobicContact CD2-CG2 4.33Å; F47-V51 HydrophobicContact CE1-CG2 3.88Å; F47-V51 HydrophobicContact CE2-CG2 3.96Å; F47-V51 HydrophobicContact CG-CG2 4.48Å; F47-V51 HydrophobicContact CZ-CG2 3.72Å; F47-V51 WeakPolarHBondContact O-CB 3.5Å; F47-V51 VanDerWaalsContact O-CG2 3.29Å; F47-V51 WeakPolarHBondContact O-CG2 3.27Å; F47-V51 PolarHBondContact O-N 3.45Å; F48-V51 PolarHBondContact O-N 2.9Å; V51-N54 PolarHBondContact O-N 3.3Å; V51-F55 HydrophobicContact CG1-CD2 4.14Å; V51-F55 WeakPolarHBondContact O-CB 3.39Å; V51-F55 PolarHBondContact O-N 3.02Å
52	F	39	Very low	37.6	Very low	121 Å²	121	135.8 Å²	135.8	53%	0.531	61%	0.609	S	S	.	*	H	α-helix	trans	-71.7	-44.6	-176.3	-145	-86.1	0	0	0	111.4	F48 D49 F55 W56	F48-F52 VanDerWaalsContact O-CB 3.28Å; F48-F52 WeakPolarHBondContact O-CB 3.32Å; F48-F52 PolarHBondContact O-N 2.86Å; D49-F52 PolarHBondContact O-N 3.14Å; F52-F55 PolarHBondContact O-N 2.97Å; F52-W56 HydrophobicContact CD1-CB 4.28Å; F52-W56 HydrophobicContact CE1-CB 4.31Å; F52-W56 HydrophobicContact CE1-CG 4.23Å; F52-W56 WeakPolarHBondContact O-CB 3.3Å; F52-W56 PolarHBondContact O-N 3.01Å
53	E	40.5	Very low	36.7	Very low	114 Å²	114	135.9 Å²	135.9	53%	0.533	62%	0.624	S	S	.	*	H	α-helix	trans	-55	-53.9	169.1	-77.2	-66.6	152.1	0	0	110.6	D49 F55 W56 Q57	D49-E53 WeakPolarHBondContact O-CB 3.39Å; D49-E53 WeakPolarHBondContact O-CG 3.36Å; D49-E53 PolarHBondContact O-N 3.36Å; E53-F55 VanDerWaalsContact C-N 3.34Å; E53-F55 PolarHBondContact O-N 3.3Å; E53-W56 PolarHBondContact O-N 3.24Å; E53-Q57 WeakPolarHBondContact O-CB 3.4Å; E53-Q57 WeakPolarHBondContact O-CG 3.44Å; E53-Q57 PolarHBondContact O-N 2.88Å; E53-Q57 PolarHBondContact OE2-NE2 3.31Å
54	N	40.6	Very low	35.8	Very low	105 Å²	105	137.7 Å²	137.7	56%	0.561	63%	0.631	S	S	*	*	H	α-helix	trans	-71.6	-19.9	-175.1	-72.3	-72.5	0	0	0	115	Y50 V51	Y50-N54 WeakPolarHBondContact CD2-ND2 3.3Å; Y50-N54 VanDerWaalsContact CE2-ND2 3.34Å; Y50-N54 WeakPolarHBondContact CE2-ND2 3.48Å; Y50-N54 WeakPolarHBondContact O-CB 3.19Å; Y50-N54 PolarHBondContact O-N 3.41Å; Y50-N54 VanDerWaalsContact O-N 3.17Å; Y50-N54 PolarHBondContact O-ND2 2.95Å; V51-N54 PolarHBondContact O-N 3.3Å
55	F	33.4	Very low	35.1	Very low	165 Å²	165	141 Å²	141	72%	0.724	65%	0.648	S	S	*	*	H	α-helix	trans	-97.1	-19.5	174.6	-97.2	-96.5	0	0	0	114.8	V51 F52 E53	V51-F55 HydrophobicContact CG1-CD2 4.14Å; V51-F55 WeakPolarHBondContact O-CB 3.39Å; V51-F55 PolarHBondContact O-N 3.02Å; F52-F55 PolarHBondContact O-N 2.97Å; E53-F55 VanDerWaalsContact C-N 3.34Å; E53-F55 PolarHBondContact O-N 3.3Å
56	W	31.8	Very low	34.2	Very low	183 Å²	183	146 Å²	146	69%	0.693	67%	0.669	S	S	*	*	H	α-helix	trans	-114.2	-1.3	-174.9	-106.8	71.5	0	0	0	116.1	F52 E53 L58	F52-W56 HydrophobicContact CD1-CB 4.28Å; F52-W56 HydrophobicContact CE1-CB 4.31Å; F52-W56 HydrophobicContact CE1-CG 4.23Å; F52-W56 WeakPolarHBondContact O-CB 3.3Å; F52-W56 PolarHBondContact O-N 3.01Å; E53-W56 PolarHBondContact O-N 3.24Å; W56-L58 PolarHBondContact O-N 3.44Å
57	Q	30.8	Very low	33.2	Very low	140 Å²	140	141.8 Å²	141.8	65%	0.654	67%	0.668	S	S	*	*			trans	-61.2	-3.4	166	-77.1	-80.6	-13.7	0	0	114.3	E53 K59	E53-Q57 WeakPolarHBondContact O-CB 3.4Å; E53-Q57 WeakPolarHBondContact O-CG 3.44Å; E53-Q57 PolarHBondContact O-N 2.88Å; E53-Q57 PolarHBondContact OE2-NE2 3.31Å; Q57-K59 VanDerWaalsContact C-N 3.28Å; Q57-K59 PolarHBondContact O-N 3.14Å; Q57-K59 VanDerWaalsContact O-N 3.1Å
58	L	27.4	Very low	32.6	Very low	164 Å²	164	140.8 Å²	140.8	86%	0.859	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	39.7	-176.3	-118.3	169.9	0	0	0	114.3	W56	W56-L58 PolarHBondContact O-N 3.44Å
59	K	26.7	Very low	31.9	Very low	173 Å²	173	147.4 Å²	147.4	75%	0.752	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.4	37.4	176.7	-137.2	178.7	-174.3	-178.2	0	119.1	Q57	Q57-K59 VanDerWaalsContact C-N 3.28Å; Q57-K59 PolarHBondContact O-N 3.14Å; Q57-K59 VanDerWaalsContact O-N 3.1Å
60	Y	28.7	Very low	31.1	Very low	232 Å²	232	150.8 Å²	150.8	91%	0.91	72%	0.718	S	S	*	*			trans	-136.5	66.7	159.9	-104.4	-76.4	0	0	0	111.8
61	Y	28	Very low	30.5	Very low	239 Å²	239	150.5 Å²	150.5	94%	0.937	73%	0.725	S	S	*	*			trans	-133.5	145.5	165.7	-107.1	-89.1	0	0	0	112
62	S	28.6	Very low	30.1	Very low	105 Å²	105	156.1 Å²	156.1	73%	0.734	75%	0.753	S	S	*	*			trans	-36.6	143.4	-163	-165.9	0	0	0	0	119.4	K64	S62-K64 PolarHBondContact O-N 3.48Å; S62-K64 VanDerWaalsContact O-N 3.17Å
63	T	25	Very low	29.7	Very low	134 Å²	134	155.5 Å²	155.5	82%	0.822	76%	0.764	S	S	*	*	S	Bend	trans	-75	88.7	166.5	40.8	0	0	0	0	112.5
64	K	25.8	Very low	29.2	Very low	192 Å²	192	157.2 Å²	157.2	84%	0.835	78%	0.775	S	S	*	*			trans	-170.5	151.1	149.7	-105.8	155.4	-166	-178.3	0	110.8	S62	S62-K64 PolarHBondContact O-N 3.48Å; S62-K64 VanDerWaalsContact O-N 3.17Å
65	Q	28.2	Very low	28.9	Very low	169 Å²	169	161.9 Å²	161.9	79%	0.79	79%	0.785	S	S	*	*			trans	55.6	102.3	175	-63.8	176.3	-21.7	0	0	116.3
66	F	27.8	Very low	28.9	Very low	177 Å²	177	163.7 Å²	163.7	78%	0.776	79%	0.792	S	S	*	*				176.5	81.7	108.2	-101.4	-75.4	0	0	0	109.7
67	G	24.4	Very low	29.2	Very low	61 Å²	61	160.8 Å²	160.8	63%	0.629	80%	0.795	S	S	*	*			trans	-67.6	167.9	148.9	0	0	0	0	0	109.6
68	S	29.4	Very low	29.5	Very low	105 Å²	105	159.6 Å²	159.6	73%	0.734	79%	0.792	S	S	*	*			trans	51.7	86.1	-178.1	60.3	0	0	0	0	115.8
69	Y	27.7	Very low	30.1	Very low	231 Å²	231	157.5 Å²	157.5	91%	0.906	78%	0.781	S	S	*	*				-153.2	65.5	128.4	-100.4	-64	0	0	0	109.9
70	L	26.9	Very low	30.5	Very low	156 Å²	156	155.4 Å²	155.4	82%	0.817	78%	0.777	S	S	*	*			trans	-85.3	156	165	-134.2	165.2	0	0	0	107.6
71	I	30.7	Very low	30.7	Very low	148 Å²	148	149.5 Å²	149.5	76%	0.759	76%	0.761	S	S	*	*			trans	72.4	90.1	174.3	-36.8	166.5	0	0	0	115.5
72	L	30.9	Very low	31.2	Very low	165 Å²	165	147.7 Å²	147.7	86%	0.864	75%	0.753	S	S	*	*				-157.5	155	114.1	-135.2	80	0	0	0	110.8
73	S	29.9	Very low	31.7	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	74%	0.743	S	S	*	*			trans	-101.7	-165.6	177.4	-167.5	0	0	0	0	111.1
74	I	31.4	Very low	32.1	Very low	150 Å²	150	145.7 Å²	145.7	77%	0.769	73%	0.734	S	S	*	*			trans	78	89.9	172	-46	161.7	0	0	0	115.2
75	R	33.8	Very low	32.5	Very low	203 Å²	203	144.9 Å²	144.9	77%	0.766	73%	0.73	S	S	*	*			trans	-178.5	-4.2	141.7	-106.3	169.2	-178.3	-179	1.6	116.8	T77 L78	R75-T77 PolarHBondContact O-N 3.34Å; R75-L78 PolarHBondContact O-N 2.95Å
76	K	34	Very low	32.8	Very low	204 Å²	204	142 Å²	142	89%	0.887	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-11.6	-172.9	-80	-172.7	173.4	-178.8	0	116.9
77	T	37.6	Very low	33.1	Very low	121 Å²	121	140.4 Å²	140.4	74%	0.742	73%	0.726	S	S	*	*	H	α-helix	trans	-81.1	-20.7	-179.1	42	0	0	0	0	115.2	R75	R75-T77 PolarHBondContact O-N 3.34Å
78	L	37.7	Very low	33.2	Very low	115 Å²	115	147.2 Å²	147.2	60%	0.602	74%	0.738	S	S	*	*	H	α-helix	trans	-84.1	-25.1	-173.1	-89.3	162.8	0	0	0	115.1	R75	R75-L78 PolarHBondContact O-N 2.95Å
79	I	39.9	Very low	33.4	Very low	120 Å²	120	147.8 Å²	147.8	62%	0.615	74%	0.737	S	S	*	*	H	α-helix	trans	-79.3	-46.7	-174.1	-61.3	176	0	0	0	110.8	N81 R82 I83	I79-N81 VanDerWaalsContact C-N 3.29Å; I79-N81 PolarHBondContact O-N 3.45Å; I79-R82 PolarHBondContact O-N 2.95Å; I79-I83 HydrophobicContact CG2-CD1 4.12Å; I79-I83 PolarHBondContact O-N 3.34Å
80	L	33.1	Very low	33.4	Very low	129 Å²	129	147 Å²	147	68%	0.675	74%	0.738	S	S	*	*	H	α-helix	trans	-60.1	-40.2	-179.3	-150.6	74.7	0	0	0	111.8	R82 I83 C84	L80-R82 VanDerWaalsContact C-N 3.33Å; L80-R82 PolarHBondContact O-N 3.26Å; L80-I83 PolarHBondContact O-N 2.92Å; L80-C84 PolarHBondContact O-N 3.48Å; L80-C84 PolarHBondContact O-SG 3.35Å
81	N	34.9	Very low	33.8	Very low	108 Å²	108	144.5 Å²	144.5	58%	0.578	73%	0.725	S	S	*	*	H	α-helix	trans	-75.5	-17.9	-178.1	-152.9	-5.9	0	0	0	113.5	I79	I79-N81 VanDerWaalsContact C-N 3.29Å; I79-N81 PolarHBondContact O-N 3.45Å
82	R	38.2	Very low	34.1	Very low	201 Å²	201	142.7 Å²	142.7	76%	0.758	72%	0.717	S	S	*	*	H	α-helix	trans	-77.8	-44.5	168.6	-91.8	-175.2	167.6	177.9	-3.7	111.6	I79 L80 C84 K85	I79-R82 PolarHBondContact O-N 2.95Å; L80-R82 VanDerWaalsContact C-N 3.33Å; L80-R82 PolarHBondContact O-N 3.26Å; R82-C84 VanDerWaalsContact C-N 3.32Å; R82-C84 PolarHBondContact O-N 2.89Å; R82-K85 PolarHBondContact O-N 2.87Å; R82-K85 VanDerWaalsContact O-N 3.1Å
83	I	38.8	Very low	34.2	Very low	105 Å²	105	143.5 Å²	143.5	54%	0.538	71%	0.714	S	S	.	*	H	α-helix	trans	-60.1	-43.3	179.7	-64.2	167.9	0	0	0	110.7	I79 L80 K85 C86	I79-I83 HydrophobicContact CG2-CD1 4.12Å; I79-I83 PolarHBondContact O-N 3.34Å; L80-I83 PolarHBondContact O-N 2.92Å; I83-K85 VanDerWaalsContact C-N 3.25Å; I83-K85 PolarHBondContact O-N 3.47Å; I83-C86 PolarHBondContact O-N 3.14Å
84	C	32.2	Very low	34.7	Very low	93 Å²	93	142.2 Å²	142.2	63%	0.628	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-13.5	177.7	-64.1	0	0	0	0	115.2	L80 R82	L80-C84 PolarHBondContact O-N 3.48Å; L80-C84 PolarHBondContact O-SG 3.35Å; R82-C84 VanDerWaalsContact C-N 3.32Å; R82-C84 PolarHBondContact O-N 2.89Å
85	K	34.4	Very low	35.1	Very low	174 Å²	174	138.9 Å²	138.9	76%	0.757	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-16.9	179	-94.8	-172.6	173.8	-176.7	0	114.6	R82 I83	R82-K85 PolarHBondContact O-N 2.87Å; R82-K85 VanDerWaalsContact O-N 3.1Å; I83-K85 VanDerWaalsContact C-N 3.25Å; I83-K85 PolarHBondContact O-N 3.47Å
86	C	35	Very low	35.3	Very low	110 Å²	110	134.3 Å²	134.3	74%	0.743	68%	0.678	S	S	*	*	S	Bend	trans	-82.4	-13	-178.6	-63	0	0	0	0	114.2	I83 K88	I83-C86 PolarHBondContact O-N 3.14Å; C86-K88 PolarHBondContact O-N 3.21Å
87	I	33.7	Very low	35.5	Very low	142 Å²	142	130.4 Å²	130.4	73%	0.728	66%	0.661	S	S	*	*			trans	-101.4	71.3	-173.3	-48.3	-179.3	0	0	0	110.2
88	K	27.2	Very low	35.7	Very low	204 Å²	204	129.8 Å²	129.8	89%	0.887	65%	0.652	S	S	*	*			trans	-133.9	73.9	173.6	-116.9	-171.3	-179.8	-173.9	0	111.4	C86	C86-K88 PolarHBondContact O-N 3.21Å
89	V	32.6	Very low	35.8	Very low	117 Å²	117	128.6 Å²	128.6	71%	0.709	65%	0.645	S	S	*	*			trans	-121.2	128	173.3	-178.9	0	0	0	0	108.8	L91	V89-L91 HydrophobicContact CG1-CG 4.41Å; V89-L91 PolarHBondContact O-N 3Å; V89-L91 VanDerWaalsContact O-N 3.12Å
90	K	29.2	Very low	35.8	Very low	214 Å²	214	127 Å²	127	93%	0.93	63%	0.634	S	S	*	*			trans	-71.7	100.9	174.1	-78.1	-177.7	174.5	179.8	0	109.5
91	L	35.5	Very low	36.3	Very low	104 Å²	104	125.4 Å²	125.4	55%	0.545	63%	0.625	S	S	.	*			trans	-105.3	143.8	169.7	-83.1	161.3	0	0	0	110.7	V89	V89-L91 HydrophobicContact CG1-CG 4.41Å; V89-L91 PolarHBondContact O-N 3Å; V89-L91 VanDerWaalsContact O-N 3.12Å
92	N	36.3	Very low	36.6	Very low	111 Å²	111	124.7 Å²	124.7	59%	0.594	62%	0.622	S	S	*	*			trans	-70.3	144.5	-172.2	-163.7	-3.7	0	0	0	111.6	S94 I95 L96	N92-S94 VanDerWaalsContact C-N 3.26Å; N92-S94 PolarHBondContact O-N 3.24Å; N92-S94 VanDerWaalsContact O-N 3.13Å; N92-I95 HydrophobicContact CB-CD1 4.44Å; N92-I95 PolarHBondContact O-N 3.49Å; N92-L96 PolarHBondContact O-N 3.26Å
93	K	32.9	Very low	36.7	Very low	181 Å²	181	119.6 Å²	119.6	79%	0.787	61%	0.609	S	S	*	*	H	α-helix	trans	-51	-42.7	-172.1	-80.7	-171.2	173.2	-174.6	0	112.9	I95 L96 F97	K93-I95 VanDerWaalsContact C-N 3.33Å; K93-I95 PolarHBondContact O-N 2.96Å; K93-L96 WeakPolarHBondContact O-CB 3.4Å; K93-L96 PolarHBondContact O-N 3.4Å; K93-F97 PolarHBondContact O-N 3.49Å
94	S	39.8	Very low	36.9	Very low	80 Å²	80	118 Å²	118	56%	0.559	60%	0.601	S	S	*	*	H	α-helix	trans	-63.7	-35.4	-179.3	-38.9	0	0	0	0	113.2	N92 I98	N92-S94 VanDerWaalsContact C-N 3.26Å; N92-S94 PolarHBondContact O-N 3.24Å; N92-S94 VanDerWaalsContact O-N 3.13Å; S94-I98 WeakPolarHBondContact O-CG1 3.41Å; S94-I98 PolarHBondContact O-N 3.32Å
95	I	41	Very low	37.4	Very low	81 Å²	81	116.6 Å²	116.6	42%	0.415	59%	0.592	S	S	.	*	H	α-helix	trans	-73	-40.5	177.8	-58.5	176.7	0	0	0	109.8	N92 K93 F97 I98 I99	N92-I95 HydrophobicContact CB-CD1 4.44Å; N92-I95 PolarHBondContact O-N 3.49Å; K93-I95 VanDerWaalsContact C-N 3.33Å; K93-I95 PolarHBondContact O-N 2.96Å; I95-F97 VanDerWaalsContact C-N 3.28Å; I95-F97 PolarHBondContact O-N 3.45Å; I95-I98 PolarHBondContact O-N 3.24Å; I95-I99 HydrophobicContact CG2-CD1 3.96Å; I95-I99 WeakPolarHBondContact O-CG1 3.24Å; I95-I99 PolarHBondContact O-N 2.83Å
96	L	37.3	Very low	38.1	Very low	107 Å²	107	112.5 Å²	112.5	56%	0.56	58%	0.576	S	S	*	*	H	α-helix	trans	-58.8	-41.5	175.9	-158.5	78	0	0	0	111.3	N92 K93 I99 F100	N92-L96 PolarHBondContact O-N 3.26Å; K93-L96 WeakPolarHBondContact O-CB 3.4Å; K93-L96 PolarHBondContact O-N 3.4Å; L96-I99 PolarHBondContact O-N 2.94Å; L96-F100 VanDerWaalsContact O-CB 3.25Å; L96-F100 WeakPolarHBondContact O-CB 3.42Å; L96-F100 PolarHBondContact O-N 2.99Å
97	F	38.6	Very low	38.7	Very low	122 Å²	122	111.2 Å²	111.2	54%	0.535	56%	0.561	S	S	.	*	H	α-helix	trans	-65.4	-41.2	178.7	-163.7	-107.1	0	0	0	113.1	K93 I95 F100 I101	K93-F97 PolarHBondContact O-N 3.49Å; I95-F97 VanDerWaalsContact C-N 3.28Å; I95-F97 PolarHBondContact O-N 3.45Å; F97-F100 PolarHBondContact O-N 3.03Å; F97-I101 HydrophobicContact CD1-CD1 3.85Å; F97-I101 HydrophobicContact CE1-CD1 3.46Å; F97-I101 VanDerWaalsContact CE1-CD1 3.46Å; F97-I101 HydrophobicContact CE1-CG1 4.43Å; F97-I101 HydrophobicContact CZ-CD1 3.97Å; F97-I101 PolarHBondContact O-N 3.16Å
98	I	41.6	Very low	39.3	Very low	108 Å²	108	108.9 Å²	108.9	55%	0.554	55%	0.55	S	S	*	.	H	α-helix	trans	-66.3	-39	176.3	-66.8	165.8	0	0	0	111.3	S94 I95 N102	S94-I98 WeakPolarHBondContact O-CG1 3.41Å; S94-I98 PolarHBondContact O-N 3.32Å; I95-I98 PolarHBondContact O-N 3.24Å; I98-N102 PolarHBondContact O-N 3.34Å; I98-N102 PolarHBondContact O-ND2 3.35Å
99	I	40.1	Very low	40.3	Very low	89 Å²	89	105.2 Å²	105.2	46%	0.456	53%	0.534	S	S	.	.	H	α-helix	trans	-65.8	-44.4	173.8	-67	169	0	0	0	110.1	I95 L96 N102 L103	I95-I99 HydrophobicContact CG2-CD1 3.96Å; I95-I99 WeakPolarHBondContact O-CG1 3.24Å; I95-I99 PolarHBondContact O-N 2.83Å; L96-I99 PolarHBondContact O-N 2.94Å; I99-N102 PolarHBondContact O-N 3.14Å; I99-L103 WeakPolarHBondContact O-CB 3.47Å; I99-L103 PolarHBondContact O-N 2.98Å
100	F	39.5	Very low	41.2	Very low	88 Å²	88	103 Å²	103	39%	0.386	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-44.8	-177.7	-172.3	-113.6	0	0	0	113.2	L96 F97 N102 L103 I104 I231	L96-F100 VanDerWaalsContact O-CB 3.25Å; L96-F100 WeakPolarHBondContact O-CB 3.42Å; L96-F100 PolarHBondContact O-N 2.99Å; F97-F100 PolarHBondContact O-N 3.03Å; F100-N102 PolarHBondContact O-N 3.39Å; F100-L103 PolarHBondContact O-N 2.88Å; F100-I104 HydrophobicContact CD1-CD1 3.79Å; F100-I104 HydrophobicContact CE1-CD1 3.54Å; F100-I104 HydrophobicContact CE2-CD1 4.39Å; F100-I104 HydrophobicContact CG-CD1 4.34Å; F100-I104 HydrophobicContact CZ-CD1 3.87Å; F100-I104 WeakPolarHBondContact O-CG1 3.37Å; F100-I104 PolarHBondContact O-N 3.36Å; F100-I231 HydrophobicContact CZ-CG1 4.16Å
101	I	43.7	Very low	42.4	Very low	94 Å²	94	96.3 Å²	96.3	48%	0.482	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-43.1	176.3	-74.3	176.8	0	0	0	111.6	F97 S105	F97-I101 HydrophobicContact CD1-CD1 3.85Å; F97-I101 HydrophobicContact CE1-CD1 3.46Å; F97-I101 VanDerWaalsContact CE1-CD1 3.46Å; F97-I101 HydrophobicContact CE1-CG1 4.43Å; F97-I101 HydrophobicContact CZ-CD1 3.97Å; F97-I101 PolarHBondContact O-N 3.16Å; I101-S105 PolarHBondContact O-N 3.4Å
102	N	41.5	Very low	43.5	Very low	94 Å²	94	95.7 Å²	95.7	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-65.5	-42.8	176.1	-75.1	-53.4	0	0	0	111.6	I98 I99 F100 I104 S105 E106	I98-N102 PolarHBondContact O-N 3.34Å; I98-N102 PolarHBondContact O-ND2 3.35Å; I99-N102 PolarHBondContact O-N 3.14Å; F100-N102 PolarHBondContact O-N 3.39Å; N102-I104 VanDerWaalsContact C-N 3.35Å; N102-I104 PolarHBondContact O-N 2.98Å; N102-S105 WeakPolarHBondContact O-CB 3.4Å; N102-S105 PolarHBondContact O-N 3.49Å; N102-S105 VanDerWaalsContact O-N 3.07Å; N102-S105 PolarHBondContact O-OG 3.32Å; N102-E106 PolarHBondContact O-N 2.99Å
103	L	40.8	Very low	44.1	Very low	93 Å²	93	97.3 Å²	97.3	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-37.5	-179.5	-156.2	79	0	0	0	112.9	I99 F100 S105 E106 L107	I99-L103 WeakPolarHBondContact O-CB 3.47Å; I99-L103 PolarHBondContact O-N 2.98Å; F100-L103 PolarHBondContact O-N 2.88Å; L103-S105 VanDerWaalsContact C-N 3.26Å; L103-S105 PolarHBondContact O-N 3.49Å; L103-E106 PolarHBondContact O-N 2.95Å; L103-L107 PolarHBondContact O-N 3.46Å
104	I	41.5	Very low	45.3	Very low	72 Å²	72	91.7 Å²	91.7	37%	0.369	47%	0.467	S	S	.	.	H	α-helix	trans	-61.4	-34.8	174.4	-73.5	167.9	0	0	0	111.5	F100 N102 N108	F100-I104 HydrophobicContact CD1-CD1 3.79Å; F100-I104 HydrophobicContact CE1-CD1 3.54Å; F100-I104 HydrophobicContact CE2-CD1 4.39Å; F100-I104 HydrophobicContact CG-CD1 4.34Å; F100-I104 HydrophobicContact CZ-CD1 3.87Å; F100-I104 WeakPolarHBondContact O-CG1 3.37Å; F100-I104 PolarHBondContact O-N 3.36Å; N102-I104 VanDerWaalsContact C-N 3.35Å; N102-I104 PolarHBondContact O-N 2.98Å; I104-N108 PolarHBondContact O-N 3.48Å; I104-N108 PolarHBondContact O-ND2 3.31Å
105	S	44.1	Very low	46.4	Very low	63 Å²	63	92 Å²	92	44%	0.441	46%	0.462	S	S	.	.	H	α-helix	trans	-68.8	-35.8	177.4	83	0	0	0	0	112.7	I101 N102 L103 F109	I101-S105 PolarHBondContact O-N 3.4Å; N102-S105 WeakPolarHBondContact O-CB 3.4Å; N102-S105 PolarHBondContact O-N 3.49Å; N102-S105 VanDerWaalsContact O-N 3.07Å; N102-S105 PolarHBondContact O-OG 3.32Å; L103-S105 VanDerWaalsContact C-N 3.26Å; L103-S105 PolarHBondContact O-N 3.49Å; S105-F109 PolarHBondContact O-N 3.4Å
106	E	47.3	Very low	47.2	Very low	89 Å²	89	94.5 Å²	94.5	42%	0.416	47%	0.47	S	S	.	.	H	α-helix	trans	-76.1	-37	177	-63.2	-161.9	164.2	0	0	112.1	N102 L103 N108 F109 V110	N102-E106 PolarHBondContact O-N 2.99Å; L103-E106 PolarHBondContact O-N 2.95Å; E106-N108 VanDerWaalsContact C-N 3.33Å; E106-N108 PolarHBondContact O-N 3.32Å; E106-F109 WeakPolarHBondContact O-CA 3.48Å; E106-F109 VanDerWaalsContact O-CB 3.31Å; E106-F109 WeakPolarHBondContact O-CB 3.43Å; E106-F109 PolarHBondContact O-N 2.88Å; E106-V110 WeakPolarHBondContact O-CG2 3.25Å; E106-V110 PolarHBondContact O-N 3.23Å
107	L	48.5	Very low	48.3	Very low	82 Å²	82	93 Å²	93	43%	0.429	46%	0.462	S	S	.	.	H	α-helix	trans	-57.5	-42.1	174.3	-92.2	158.8	0	0	0	112.8	L103 F109 V110 I111	L103-L107 PolarHBondContact O-N 3.46Å; L107-F109 VanDerWaalsContact C-N 3.31Å; L107-F109 PolarHBondContact O-N 3.49Å; L107-V110 PolarHBondContact O-N 3.49Å; L107-I111 WeakPolarHBondContact O-CG1 3.23Å; L107-I111 PolarHBondContact O-N 3.29Å
108	N	47.1	Very low	49.5	Very low	93 Å²	93	90.9 Å²	90.9	50%	0.497	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-37	173.5	-80.6	-43.6	0	0	0	112.3	I104 E106 I111 I112	I104-N108 PolarHBondContact O-N 3.48Å; I104-N108 PolarHBondContact O-ND2 3.31Å; E106-N108 VanDerWaalsContact C-N 3.33Å; E106-N108 PolarHBondContact O-N 3.32Å; N108-I111 PolarHBondContact O-N 2.91Å; N108-I112 WeakPolarHBondContact O-CG1 3.43Å; N108-I112 PolarHBondContact O-N 2.93Å; N108-I112 VanDerWaalsContact O-N 3.14Å
109	F	48	Very low	50.4	Low	127 Å²	127	93.6 Å²	93.6	56%	0.557	46%	0.458	S	S	*	.	H	α-helix	trans	-64.7	-43	173.7	-110.5	-88.5	0	0	0	112.2	S105 E106 L107 I111 I112 Y113	S105-F109 PolarHBondContact O-N 3.4Å; E106-F109 WeakPolarHBondContact O-CA 3.48Å; E106-F109 VanDerWaalsContact O-CB 3.31Å; E106-F109 WeakPolarHBondContact O-CB 3.43Å; E106-F109 PolarHBondContact O-N 2.88Å; L107-F109 VanDerWaalsContact C-N 3.31Å; L107-F109 PolarHBondContact O-N 3.49Å; F109-I111 VanDerWaalsContact C-N 3.34Å; F109-I111 PolarHBondContact O-N 3.21Å; F109-I112 PolarHBondContact O-N 3.2Å; F109-Y113 WeakPolarHBondContact O-CB 3.39Å; F109-Y113 PolarHBondContact O-N 2.93Å
110	V	51.4	Low	51.2	Low	70 Å²	70	95.9 Å²	95.9	42%	0.424	47%	0.466	S	S	.	.	H	α-helix	trans	-61	-41	176.8	172.1	0	0	0	0	111.6	E106 L107 Y113 L114	E106-V110 WeakPolarHBondContact O-CG2 3.25Å; E106-V110 PolarHBondContact O-N 3.23Å; L107-V110 PolarHBondContact O-N 3.49Å; V110-Y113 PolarHBondContact O-N 3.43Å; V110-L114 HydrophobicContact CG1-CD1 4.2Å; V110-L114 WeakPolarHBondContact O-CB 3.47Å; V110-L114 PolarHBondContact O-N 3.33Å
111	I	54.9	Low	52.1	Low	74 Å²	74	96.2 Å²	96.2	38%	0.379	47%	0.471	S	S	.	.	H	α-helix	trans	-63.1	-46.2	176.2	-67.7	166.1	0	0	0	111	L107 N108 F109 Y113 L114 I115	L107-I111 WeakPolarHBondContact O-CG1 3.23Å; L107-I111 PolarHBondContact O-N 3.29Å; N108-I111 PolarHBondContact O-N 2.91Å; F109-I111 VanDerWaalsContact C-N 3.34Å; F109-I111 PolarHBondContact O-N 3.21Å; I111-Y113 VanDerWaalsContact C-N 3.33Å; I111-Y113 PolarHBondContact O-N 2.99Å; I111-L114 PolarHBondContact O-N 3.35Å; I111-I115 HydrophobicContact CG2-CD1 4.16Å; I111-I115 WeakPolarHBondContact O-CG1 3.27Å; I111-I115 PolarHBondContact O-N 3.37Å; I111-I115 VanDerWaalsContact O-N 3.09Å
112	I	57	Low	52.9	Low	91 Å²	91	98.2 Å²	98.2	47%	0.467	48%	0.476	S	S	.	.	H	α-helix	trans	-61.7	-42.5	176.9	-67.5	165.7	0	0	0	110.7	N108 F109 I115 F116	N108-I112 WeakPolarHBondContact O-CG1 3.43Å; N108-I112 PolarHBondContact O-N 2.93Å; N108-I112 VanDerWaalsContact O-N 3.14Å; F109-I112 PolarHBondContact O-N 3.2Å; I112-I115 PolarHBondContact O-N 3.44Å; I112-F116 HydrophobicContact CG2-CD2 4.12Å; I112-F116 HydrophobicContact CG2-CE2 4.24Å; I112-F116 WeakPolarHBondContact O-CD2 3.45Å; I112-F116 PolarHBondContact O-N 3.1Å; I112-F116 VanDerWaalsContact O-N 3.08Å
113	Y	49.4	Very low	54	Low	145 Å²	145	98.2 Å²	98.2	57%	0.569	48%	0.475	S	S	*	.	H	α-helix	trans	-67.6	-38.2	-179.7	-146.6	-92.9	0	0	0	112.3	F109 V110 I111 I115 F116 I117	F109-Y113 WeakPolarHBondContact O-CB 3.39Å; F109-Y113 PolarHBondContact O-N 2.93Å; V110-Y113 PolarHBondContact O-N 3.43Å; I111-Y113 VanDerWaalsContact C-N 3.33Å; I111-Y113 PolarHBondContact O-N 2.99Å; Y113-I115 PolarHBondContact O-N 3.25Å; Y113-F116 PolarHBondContact O-N 3.18Å; Y113-I117 HydrophobicContact CD1-CD1 3.74Å; Y113-I117 HydrophobicContact CD1-CG1 4.18Å; Y113-I117 HydrophobicContact CE1-CD1 4.05Å; Y113-I117 HydrophobicContact CE1-CG1 4.35Å; Y113-I117 WeakPolarHBondContact O-CG1 3.34Å; Y113-I117 PolarHBondContact O-N 3.15Å
114	L	58.3	Low	54.8	Low	63 Å²	63	96.4 Å²	96.4	33%	0.33	47%	0.468	S	S	.	.	H	α-helix	trans	-59.4	-42.8	170.9	-93.1	162.8	0	0	0	112.2	V110 I111 F116 I117 I118	V110-L114 HydrophobicContact CG1-CD1 4.2Å; V110-L114 WeakPolarHBondContact O-CB 3.47Å; V110-L114 PolarHBondContact O-N 3.33Å; I111-L114 PolarHBondContact O-N 3.35Å; L114-F116 VanDerWaalsContact C-N 3.31Å; L114-F116 PolarHBondContact O-N 3Å; L114-I117 PolarHBondContact O-N 3.19Å; L114-I118 WeakPolarHBondContact O-CB 3.23Å; L114-I118 VanDerWaalsContact O-CG1 3.27Å; L114-I118 WeakPolarHBondContact O-CG1 3.46Å; L114-I118 PolarHBondContact O-N 3.48Å
115	I	63.9	Low	55.5	Low	87 Å²	87	98 Å²	98	45%	0.446	47%	0.47	S	S	.	.	H	α-helix	trans	-62.5	-39	175.8	-67.6	163.9	0	0	0	111	I111 I112 Y113 R119	I111-I115 HydrophobicContact CG2-CD1 4.16Å; I111-I115 WeakPolarHBondContact O-CG1 3.27Å; I111-I115 PolarHBondContact O-N 3.37Å; I111-I115 VanDerWaalsContact O-N 3.09Å; I112-I115 PolarHBondContact O-N 3.44Å; Y113-I115 PolarHBondContact O-N 3.25Å; I115-R119 WeakPolarHBondContact O-CB 3.33Å; I115-R119 WeakPolarHBondContact O-CG 3.49Å; I115-R119 PolarHBondContact O-N 3.1Å
116	F	56.7	Low	55.9	Low	134 Å²	134	97 Å²	97	59%	0.588	46%	0.463	S	S	*	.	H	α-helix	trans	-65.6	-43.9	173.8	-93.7	-81.2	0	0	0	112.8	I112 Y113 L114 R119 F120	I112-F116 HydrophobicContact CG2-CD2 4.12Å; I112-F116 HydrophobicContact CG2-CE2 4.24Å; I112-F116 WeakPolarHBondContact O-CD2 3.45Å; I112-F116 PolarHBondContact O-N 3.1Å; I112-F116 VanDerWaalsContact O-N 3.08Å; Y113-F116 PolarHBondContact O-N 3.18Å; L114-F116 VanDerWaalsContact C-N 3.31Å; L114-F116 PolarHBondContact O-N 3Å; F116-R119 PolarHBondContact O-N 2.93Å; F116-F120 WeakPolarHBondContact O-CB 3.48Å; F116-F120 PolarHBondContact O-N 3.13Å
117	I	61.2	Low	56	Low	75 Å²	75	97.1 Å²	97.1	39%	0.385	47%	0.467	S	S	.	.	H	α-helix	trans	-61.5	-45.4	176	-69.9	168.7	0	0	0	110.8	Y113 L114 R119 F120 L121	Y113-I117 HydrophobicContact CD1-CD1 3.74Å; Y113-I117 HydrophobicContact CD1-CG1 4.18Å; Y113-I117 HydrophobicContact CE1-CD1 4.05Å; Y113-I117 HydrophobicContact CE1-CG1 4.35Å; Y113-I117 WeakPolarHBondContact O-CG1 3.34Å; Y113-I117 PolarHBondContact O-N 3.15Å; L114-I117 PolarHBondContact O-N 3.19Å; I117-R119 VanDerWaalsContact C-N 3.33Å; I117-R119 PolarHBondContact O-N 2.88Å; I117-F120 PolarHBondContact O-N 3.47Å; I117-L121 HydrophobicContact CG2-CD1 3.82Å; I117-L121 HydrophobicContact CG2-CG 4.29Å; I117-L121 WeakPolarHBondContact O-CB 3.41Å; I117-L121 WeakPolarHBondContact O-CG 3.29Å; I117-L121 PolarHBondContact O-N 3.43Å
118	I	62.5	Low	56.1	Low	77 Å²	77	96.1 Å²	96.1	40%	0.395	47%	0.466	S	S	.	.	H	α-helix	trans	-60.8	-42.9	177.5	-69.2	164.3	0	0	0	110.8	L114 F122	L114-I118 WeakPolarHBondContact O-CB 3.23Å; L114-I118 VanDerWaalsContact O-CG1 3.27Å; L114-I118 WeakPolarHBondContact O-CG1 3.46Å; L114-I118 PolarHBondContact O-N 3.48Å; I118-F122 WeakPolarHBondContact O-CB 3.27Å; I118-F122 PolarHBondContact O-N 3.19Å
119	R	60.2	Low	56.1	Low	165 Å²	165	97 Å²	97	62%	0.623	46%	0.463	S	S	*	.	H	α-helix	trans	-63.5	-42.9	174.5	-78.8	178.9	167.2	-169.4	-4.6	112.5	I115 F116 I117 F122 I123	I115-R119 WeakPolarHBondContact O-CB 3.33Å; I115-R119 WeakPolarHBondContact O-CG 3.49Å; I115-R119 PolarHBondContact O-N 3.1Å; F116-R119 PolarHBondContact O-N 2.93Å; I117-R119 VanDerWaalsContact C-N 3.33Å; I117-R119 PolarHBondContact O-N 2.88Å; R119-F122 PolarHBondContact O-N 2.91Å; R119-I123 VanDerWaalsContact O-CG1 3.29Å; R119-I123 WeakPolarHBondContact O-CG1 3.49Å; R119-I123 PolarHBondContact O-N 3.41Å
120	F	58.5	Low	56	Low	138 Å²	138	95.9 Å²	95.9	61%	0.605	46%	0.462	S	S	*	.	H	α-helix	trans	-65.3	-43.8	178.9	-177.4	-98.4	0	0	0	112.2	F116 I117 F122 I123 T124	F116-F120 WeakPolarHBondContact O-CB 3.48Å; F116-F120 PolarHBondContact O-N 3.13Å; I117-F120 PolarHBondContact O-N 3.47Å; F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 3.46Å; F120-I123 PolarHBondContact O-N 2.97Å; F120-T124 HydrophobicContact CD1-CG2 4.27Å; F120-T124 HydrophobicContact CE1-CG2 3.83Å; F120-T124 HydrophobicContact CE2-CG2 4.14Å; F120-T124 HydrophobicContact CZ-CG2 3.76Å; F120-T124 WeakPolarHBondContact O-CB 3.32Å; F120-T124 WeakPolarHBondContact O-CG2 3.45Å; F120-T124 PolarHBondContact O-N 3.39Å; F120-T124 PolarHBondContact O-OG1 3.03Å
121	L	58	Low	55.7	Low	95 Å²	95	96.4 Å²	96.4	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-62.7	-37.2	174.1	-69.7	173.1	0	0	0	112.1	I117 T124 Y125	I117-L121 HydrophobicContact CG2-CD1 3.82Å; I117-L121 HydrophobicContact CG2-CG 4.29Å; I117-L121 WeakPolarHBondContact O-CB 3.41Å; I117-L121 WeakPolarHBondContact O-CG 3.29Å; I117-L121 PolarHBondContact O-N 3.43Å; L121-T124 WeakPolarHBondContact CA-OG1 3.38Å; L121-T124 PolarHBondContact O-OG1 3.36Å; L121-Y125 VanDerWaalsContact O-CB 3.23Å; L121-Y125 WeakPolarHBondContact O-CB 3.35Å; L121-Y125 PolarHBondContact O-N 2.87Å
122	F	60.7	Low	55.2	Low	136 Å²	136	99.5 Å²	99.5	60%	0.596	48%	0.479	S	S	*	.	H	α-helix	trans	-67.4	-45.5	174.9	-166.7	-94.3	0	0	0	112.2	I118 R119 F120 Y125 C126	I118-F122 WeakPolarHBondContact O-CB 3.27Å; I118-F122 PolarHBondContact O-N 3.19Å; R119-F122 PolarHBondContact O-N 2.91Å; F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 3.46Å; F122-Y125 PolarHBondContact O-N 2.95Å; F122-C126 WeakPolarHBondContact O-CB 3.48Å; F122-C126 PolarHBondContact O-N 3.2Å; F122-C126 PolarHBondContact O-SG 3.49Å
123	I	63.4	Low	54.5	Low	94 Å²	94	99.8 Å²	99.8	48%	0.482	48%	0.481	S	S	.	.	H	α-helix	trans	-63.9	-45.2	178.2	-69.2	163.5	0	0	0	111	R119 F120 C126 N127	R119-I123 VanDerWaalsContact O-CG1 3.29Å; R119-I123 WeakPolarHBondContact O-CG1 3.49Å; R119-I123 PolarHBondContact O-N 3.41Å; F120-I123 PolarHBondContact O-N 2.97Å; I123-C126 PolarHBondContact O-N 3.04Å; I123-N127 WeakPolarHBondContact O-CB 3.38Å; I123-N127 VanDerWaalsContact O-CG 3.29Å; I123-N127 PolarHBondContact O-N 3.07Å; I123-N127 PolarHBondContact O-OD1 2.92Å
124	T	58.3	Low	54.1	Low	55 Å²	55	95.8 Å²	95.8	34%	0.337	47%	0.474	S	S	.	.	H	α-helix	trans	-66.4	-36.7	177.7	47.7	0	0	0	0	112.5	F120 L121 S128	F120-T124 HydrophobicContact CD1-CG2 4.27Å; F120-T124 HydrophobicContact CE1-CG2 3.83Å; F120-T124 HydrophobicContact CE2-CG2 4.14Å; F120-T124 HydrophobicContact CZ-CG2 3.76Å; F120-T124 WeakPolarHBondContact O-CB 3.32Å; F120-T124 WeakPolarHBondContact O-CG2 3.45Å; F120-T124 PolarHBondContact O-N 3.39Å; F120-T124 PolarHBondContact O-OG1 3.03Å; L121-T124 WeakPolarHBondContact CA-OG1 3.38Å; L121-T124 PolarHBondContact O-OG1 3.36Å; T124-S128 WeakPolarHBondContact O-CB 3.46Å; T124-S128 PolarHBondContact O-N 2.87Å
125	Y	55.6	Low	53.1	Low	104 Å²	104	98.3 Å²	98.3	41%	0.408	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-46.6	170.9	-179.5	-100.1	0	0	0	112.1	L121 F122 S128 Y129	L121-Y125 VanDerWaalsContact O-CB 3.23Å; L121-Y125 WeakPolarHBondContact O-CB 3.35Å; L121-Y125 PolarHBondContact O-N 2.87Å; F122-Y125 PolarHBondContact O-N 2.95Å; Y125-S128 PolarHBondContact O-N 2.9Å; Y125-Y129 WeakPolarHBondContact O-CB 3.35Å; Y125-Y129 PolarHBondContact O-N 3.48Å
126	C	52.9	Low	52	Low	43 Å²	43	100.2 Å²	100.2	29%	0.291	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-46.6	176.1	-73.6	0	0	0	0	112	F122 I123 S128 Y129 I130	F122-C126 WeakPolarHBondContact O-CB 3.48Å; F122-C126 PolarHBondContact O-N 3.2Å; F122-C126 PolarHBondContact O-SG 3.49Å; I123-C126 PolarHBondContact O-N 3.04Å; C126-S128 PolarHBondContact O-N 3.37Å; C126-Y129 PolarHBondContact O-N 3.08Å; C126-I130 VanDerWaalsContact O-CG1 3.27Å; C126-I130 WeakPolarHBondContact O-CG1 3.27Å; C126-I130 PolarHBondContact O-N 3.04Å
127	N	49.7	Very low	51.3	Low	92 Å²	92	100.1 Å²	100.1	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-43.5	177.8	-70.1	-4	0	0	0	111.5	I123 Y129 I130 T131	I123-N127 WeakPolarHBondContact O-CB 3.38Å; I123-N127 VanDerWaalsContact O-CG 3.29Å; I123-N127 PolarHBondContact O-N 3.07Å; I123-N127 PolarHBondContact O-OD1 2.92Å; N127-Y129 VanDerWaalsContact C-N 3.31Å; N127-Y129 PolarHBondContact O-N 3.36Å; N127-I130 PolarHBondContact O-N 2.75Å; N127-T131 WeakPolarHBondContact O-CG2 3.25Å; N127-T131 PolarHBondContact O-N 2.93Å; N127-T131 PolarHBondContact O-OG1 3.33Å
128	S	50.6	Low	50.3	Low	61 Å²	61	102.1 Å²	102.1	43%	0.427	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-32.6	176	-175.5	0	0	0	0	113	T124 Y125 C126 T131 Q132	T124-S128 WeakPolarHBondContact O-CB 3.46Å; T124-S128 PolarHBondContact O-N 2.87Å; Y125-S128 PolarHBondContact O-N 2.9Å; C126-S128 PolarHBondContact O-N 3.37Å; S128-T131 PolarHBondContact O-OG1 3.24Å; S128-Q132 WeakPolarHBondContact O-CB 3.41Å; S128-Q132 WeakPolarHBondContact O-CG 3.48Å; S128-Q132 PolarHBondContact O-N 2.99Å; S128-Q132 VanDerWaalsContact O-N 3.14Å
129	Y	46.2	Very low	49.4	Very low	111 Å²	111	103.5 Å²	103.5	44%	0.435	51%	0.511	S	S	.	.	H	α-helix	trans	-72	-40.1	175.3	-173.3	-91.8	0	0	0	111.1	Y125 C126 N127 L133	Y125-Y129 WeakPolarHBondContact O-CB 3.35Å; Y125-Y129 PolarHBondContact O-N 3.48Å; C126-Y129 PolarHBondContact O-N 3.08Å; N127-Y129 VanDerWaalsContact C-N 3.31Å; N127-Y129 PolarHBondContact O-N 3.36Å; Y129-L133 WeakPolarHBondContact O-CB 3.4Å; Y129-L133 PolarHBondContact O-N 3Å
130	I	47.3	Very low	48.5	Very low	103 Å²	103	100.8 Å²	100.8	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-45.6	176.3	-69	166	0	0	0	110.7	C126 N127 L133 S134	C126-I130 VanDerWaalsContact O-CG1 3.27Å; C126-I130 WeakPolarHBondContact O-CG1 3.27Å; C126-I130 PolarHBondContact O-N 3.04Å; N127-I130 PolarHBondContact O-N 2.75Å; I130-L133 PolarHBondContact O-N 3.3Å; I130-L133 VanDerWaalsContact O-N 3.14Å; I130-S134 PolarHBondContact O-N 3.48Å; I130-S134 PolarHBondContact O-OG 3.29Å
131	T	44	Very low	47.6	Very low	82 Å²	82	98.3 Å²	98.3	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-68.6	-35.1	179	55.7	0	0	0	0	113	N127 S128 L133 S134 L135	N127-T131 WeakPolarHBondContact O-CG2 3.25Å; N127-T131 PolarHBondContact O-N 2.93Å; N127-T131 PolarHBondContact O-OG1 3.33Å; S128-T131 PolarHBondContact O-OG1 3.24Å; T131-L133 VanDerWaalsContact C-N 3.29Å; T131-L133 PolarHBondContact O-N 3.43Å; T131-S134 PolarHBondContact O-OG 2.97Å; T131-L135 WeakPolarHBondContact O-CB 3.49Å; T131-L135 PolarHBondContact O-N 2.93Å
132	Q	43.9	Very low	46.7	Very low	139 Å²	139	100.3 Å²	100.3	65%	0.65	52%	0.517	S	S	*	.	H	α-helix	trans	-66.6	-30.8	170.5	-78.4	-169.4	-13.3	0	0	112.8	S128 K136	S128-Q132 WeakPolarHBondContact O-CB 3.41Å; S128-Q132 WeakPolarHBondContact O-CG 3.48Å; S128-Q132 PolarHBondContact O-N 2.99Å; S128-Q132 VanDerWaalsContact O-N 3.14Å; Q132-K136 WeakPolarHBondContact O-CB 3.29Å; Q132-K136 PolarHBondContact O-N 3.31Å
133	L	42.5	Very low	45.6	Very low	97 Å²	97	99.4 Å²	99.4	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-74.4	-46.4	175.9	-163.7	70	0	0	0	111.3	Y129 I130 T131 K136 H137	Y129-L133 WeakPolarHBondContact O-CB 3.4Å; Y129-L133 PolarHBondContact O-N 3Å; I130-L133 PolarHBondContact O-N 3.3Å; I130-L133 VanDerWaalsContact O-N 3.14Å; T131-L133 VanDerWaalsContact C-N 3.29Å; T131-L133 PolarHBondContact O-N 3.43Å; L133-K136 PolarHBondContact O-N 3.03Å; L133-H137 WeakPolarHBondContact O-CB 3.38Å; L133-H137 PolarHBondContact O-N 3.22Å
134	S	41.1	Very low	44.1	Very low	61 Å²	61	101.9 Å²	101.9	43%	0.427	54%	0.536	S	S	.	.	H	α-helix	trans	-69.8	-40	-179	67.2	0	0	0	0	112.9	I130 T131 K136 H137 L138	I130-S134 PolarHBondContact O-N 3.48Å; I130-S134 PolarHBondContact O-OG 3.29Å; T131-S134 PolarHBondContact O-OG 2.97Å; S134-K136 VanDerWaalsContact C-N 3.28Å; S134-K136 PolarHBondContact O-N 3.29Å; S134-H137 PolarHBondContact O-N 2.87Å; S134-L138 PolarHBondContact O-N 3.4Å; S134-L138 VanDerWaalsContact O-N 3.13Å
135	L	38.4	Very low	43.2	Very low	116 Å²	116	106.4 Å²	106.4	61%	0.607	56%	0.558	S	S	*	*	H	α-helix	trans	-64.1	-37	176.4	-172.3	67.6	0	0	0	111	T131 L138 I139	T131-L135 WeakPolarHBondContact O-CB 3.49Å; T131-L135 PolarHBondContact O-N 2.93Å; L135-L138 PolarHBondContact O-N 3.36Å; L135-I139 HydrophobicContact CG-CD1 4.32Å; L135-I139 WeakPolarHBondContact O-CD1 3.44Å; L135-I139 WeakPolarHBondContact O-CG1 3.47Å; L135-I139 PolarHBondContact O-N 2.9Å
136	K	40	Very low	42.4	Very low	126 Å²	126	109 Å²	109	55%	0.548	58%	0.579	S	S	.	*	H	α-helix	trans	-71.2	-38.2	175.3	-166.3	167.9	-170.3	-169.6	0	112.3	Q132 L133 S134 L138 I139 D140	Q132-K136 WeakPolarHBondContact O-CB 3.29Å; Q132-K136 PolarHBondContact O-N 3.31Å; L133-K136 PolarHBondContact O-N 3.03Å; S134-K136 VanDerWaalsContact C-N 3.28Å; S134-K136 PolarHBondContact O-N 3.29Å; K136-L138 PolarHBondContact O-N 2.88Å; K136-I139 PolarHBondContact O-N 2.76Å; K136-I139 VanDerWaalsContact O-N 3.11Å; K136-D140 VanDerWaalsContact CE-OD2 3.23Å; K136-D140 WeakPolarHBondContact CE-OD2 3.46Å; K136-D140 IonicContact NZ-OD2 3.11Å; K136-D140 PolarHBondContact O-N 2.9Å
137	H	42	Very low	41.9	Very low	132 Å²	132	114.9 Å²	114.9	61%	0.611	61%	0.608	S	S	*	*	H	α-helix	trans	-68.7	-14.6	177.6	-130.2	-54.4	0	0	0	114.5	L133 S134 T141	L133-H137 WeakPolarHBondContact O-CB 3.38Å; L133-H137 PolarHBondContact O-N 3.22Å; S134-H137 PolarHBondContact O-N 2.87Å; H137-T141 WeakPolarHBondContact O-CG2 3.47Å; H137-T141 PolarHBondContact O-OG1 3.26Å
138	L	40	Very low	41.3	Very low	118 Å²	118	113.7 Å²	113.7	62%	0.618	62%	0.618	S	S	*	*	H	α-helix	trans	-88	-26.3	169.2	-108.2	81.2	0	0	0	113.4	S134 L135 K136 T141	S134-L138 PolarHBondContact O-N 3.4Å; S134-L138 VanDerWaalsContact O-N 3.13Å; L135-L138 PolarHBondContact O-N 3.36Å; K136-L138 PolarHBondContact O-N 2.88Å; L138-T141 PolarHBondContact O-OG1 3.44Å
139	I	43.3	Very low	40.7	Very low	105 Å²	105	118.8 Å²	118.8	54%	0.538	64%	0.64	S	S	.	*	H	α-helix	trans	-81.5	-39.9	179.9	-68.3	167	0	0	0	110.1	L135 K136 T141	L135-I139 HydrophobicContact CG-CD1 4.32Å; L135-I139 WeakPolarHBondContact O-CD1 3.44Å; L135-I139 WeakPolarHBondContact O-CG1 3.47Å; L135-I139 PolarHBondContact O-N 2.9Å; K136-I139 PolarHBondContact O-N 2.76Å; K136-I139 VanDerWaalsContact O-N 3.11Å; I139-T141 PolarHBondContact O-N 3.48Å
140	D	41	Very low	40.4	Very low	108 Å²	108	120.7 Å²	120.7	58%	0.578	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	7.8	178.9	-63.3	-19	0	0	0	113.1	K136	K136-D140 VanDerWaalsContact CE-OD2 3.23Å; K136-D140 WeakPolarHBondContact CE-OD2 3.46Å; K136-D140 IonicContact NZ-OD2 3.11Å; K136-D140 PolarHBondContact O-N 2.9Å
141	T	41.7	Very low	40.1	Very low	86 Å²	86	122.8 Å²	122.8	53%	0.528	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.2	-6.1	179.8	55.7	0	0	0	0	115.9	H137 L138 I139	H137-T141 WeakPolarHBondContact O-CG2 3.47Å; H137-T141 PolarHBondContact O-OG1 3.26Å; L138-T141 PolarHBondContact O-OG1 3.44Å; I139-T141 PolarHBondContact O-N 3.48Å
142	N	37.8	Very low	40	Very low	138 Å²	138	126.5 Å²	126.5	74%	0.738	69%	0.687	S	S	*	*	S	Bend	trans	-108.7	25.9	-178.6	-78	30.8	0	0	0	112.4
143	V	37.4	Very low	40	Very low	116 Å²	116	123.9 Å²	123.9	70%	0.703	69%	0.689	S	S	*	*	S	Bend	trans	-143.3	85.6	178.9	-174.6	0	0	0	0	109.3
144	N	32.5	Very low	39.9	Very low	146 Å²	146	127.1 Å²	127.1	78%	0.781	71%	0.707	S	S	*	*			trans	-175.4	160	158.1	-82	-39	0	0	0	106.7
145	D	39.2	Very low	39.9	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	73%	0.728	S	S	*	*			trans	68	125.2	-180	-38.3	-20.1	0	0	0	112.5
146	D	39.6	Very low	40	Very low	158 Å²	158	134.2 Å²	134.2	85%	0.845	74%	0.74	S	S	*	*			cis	-146.4	166.4	-0.8	-109.3	-36.3	0	0	0	111
147	D	42.5	Very low	39.8	Very low	166 Å²	166	131.6 Å²	131.6	89%	0.888	75%	0.75	S	S	*	*			trans	-75.2	155.3	176.8	-77.6	-52.1	0	0	0	113
148	G	35.2	Very low	39.5	Very low	68 Å²	68	133.2 Å²	133.2	70%	0.701	76%	0.763	S	S	*	*			trans	-106.7	173.8	-173.9	0	0	0	0	0	116.5
149	N	39.7	Very low	39.2	Very low	168 Å²	168	135 Å²	135	90%	0.898	77%	0.773	S	S	*	*			trans	-156.2	154	156.7	-87	-59.3	0	0	0	108.1
150	D	39.6	Very low	38.5	Very low	151 Å²	151	140.9 Å²	140.9	81%	0.807	79%	0.79	S	S	*	*			trans	-100.7	-167.1	-170.5	-60.7	-70.4	0	0	0	113.7
151	D	40.4	Very low	38	Very low	147 Å²	147	141.8 Å²	141.8	79%	0.786	80%	0.799	S	S	*	*			trans	90.9	96.9	161.8	-55	-17.2	0	0	0	120.2
152	D	42.2	Very low	37.5	Very low	159 Å²	159	144.6 Å²	144.6	85%	0.85	81%	0.806	S	S	*	*				88.9	139.3	129.3	-70	-13.5	0	0	0	125.6
153	A	43.6	Very low	37.1	Very low	85 Å²	85	148.5 Å²	148.5	70%	0.702	81%	0.81	S	S	*	*			trans	80.7	99	153.7	0	0	0	0	0	121.8
154	D	40.8	Very low	36.7	Very low	164 Å²	164	151.5 Å²	151.5	88%	0.877	82%	0.817	S	S	*	*				40.3	115.4	125.5	-48.9	-14.1	0	0	0	121.6
155	D	40.6	Very low	36.5	Very low	162 Å²	162	153.4 Å²	153.4	87%	0.866	82%	0.821	S	S	*	*				-165	165.9	110	-154.2	-2.2	0	0	0	110.9
156	D	40.5	Very low	35.9	Very low	164 Å²	164	153.6 Å²	153.6	88%	0.877	82%	0.821	S	S	*	*			trans	-71	141.7	-171.6	-77.6	-41.7	0	0	0	115.4
157	G	37	Very low	35.4	Very low	72 Å²	72	153.5 Å²	153.5	74%	0.742	82%	0.819	S	S	*	*			trans	169.4	94.5	167.3	0	0	0	0	0	118.8
158	D	35.6	Very low	34.7	Very low	166 Å²	166	154.7 Å²	154.7	89%	0.888	82%	0.82	S	S	*	*			trans	50.6	108.2	152.9	-64.1	-15.5	0	0	0	122.6
159	D	32.7	Very low	34.4	Very low	154 Å²	154	155.9 Å²	155.9	82%	0.824	82%	0.817	S	S	*	*				75	72.1	127.3	-152.9	28.9	0	0	0	120.7
160	Y	28.3	Very low	33.8	Very low	229 Å²	229	152.7 Å²	152.7	90%	0.898	81%	0.808	S	S	*	*			trans	-149.5	173	153	-104.9	-82.2	0	0	0	110.5
161	V	30.7	Very low	33.3	Very low	128 Å²	128	153 Å²	153	78%	0.776	81%	0.808	S	S	*	*			trans	86.6	131.2	-174.7	176.4	0	0	0	0	114
162	E	32	Very low	32.6	Very low	144 Å²	144	153.2 Å²	153.2	67%	0.673	81%	0.808	S	S	*	*			cis	-148.6	135.9	-16.9	-110.5	-173	137	0	0	108.9
163	R	28.7	Very low	31.9	Very low	220 Å²	220	154.9 Å²	154.9	83%	0.83	81%	0.811	S	S	*	*				48.8	75.7	97	-58	-175	-176.7	175.7	3.6	117.1
164	E	28.3	Very low	31.1	Very low	179 Å²	179	156.8 Å²	156.8	84%	0.836	82%	0.819	S	S	*	*				-162.9	175.5	125.5	-112.7	-178.2	-168.6	0	0	111.8	L166	E164-L166 PolarHBondContact O-N 2.87Å
165	Q	29.1	Very low	30.4	Very low	187 Å²	187	156.4 Å²	156.4	87%	0.874	82%	0.817	S	S	*	*	S	Bend	trans	80.6	-14.2	173	-51	-172.9	4	0	0	121.1	I167	Q165-I167 PolarHBondContact O-N 2.93Å; Q165-I167 VanDerWaalsContact O-N 3.15Å
166	L	26.2	Very low	29.7	Very low	154 Å²	154	156.2 Å²	156.2	81%	0.806	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	66.6	-172.1	-87	168.6	0	0	0	117.1	E164	E164-L166 PolarHBondContact O-N 2.87Å
167	I	28.9	Very low	29	Very low	156 Å²	156	158.8 Å²	158.8	80%	0.8	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.7	-17.9	165.1	-68.1	-175.5	0	0	0	113.8	Q165	Q165-I167 PolarHBondContact O-N 2.93Å; Q165-I167 VanDerWaalsContact O-N 3.15Å
168	Q	28.8	Very low	28.5	Very low	192 Å²	192	164.2 Å²	164.2	90%	0.897	81%	0.811	S	S	*	*	S	Bend	trans	-106.1	13.4	-161.9	-151.1	166.3	-2.7	0	0	116.4
169	S	28.1	Very low	28	Very low	92 Å²	92	161.6 Å²	161.6	64%	0.643	80%	0.803	S	S	*	*	S	Bend	trans	-128.2	0.8	-167.9	54.2	0	0	0	0	117.3
170	S	28.1	Very low	27.8	Very low	101 Å²	101	160.5 Å²	160.5	71%	0.706	80%	0.802	S	S	*	*			trans	-108.9	9.1	-169	55	0	0	0	0	116.6
171	I	28.4	Very low	27.6	Very low	157 Å²	157	156.6 Å²	156.6	81%	0.805	79%	0.79	S	S	*	*	S	Bend	trans	-98.4	-5.4	-173.3	-58.7	179.8	0	0	0	113.2
172	L	26.3	Very low	27.5	Very low	152 Å²	152	159 Å²	159	80%	0.796	79%	0.79	S	S	*	*	S	Bend	trans	-118.2	153.5	170.3	-90.9	80.7	0	0	0	111.5
173	Q	27	Very low	27.3	Very low	195 Å²	195	158.2 Å²	158.2	91%	0.911	79%	0.79	S	S	*	*			trans	68.9	59.3	175.5	-54.3	-168.8	3.7	0	0	117.6
174	S	27	Very low	27.1	Very low	124 Å²	124	150 Å²	150	87%	0.867	77%	0.766	S	S	*	*			trans	-135.6	87.2	145.6	-162	0	0	0	0	111.1
175	N	25.6	Very low	27.1	Very low	157 Å²	157	148.4 Å²	148.4	84%	0.84	76%	0.763	S	S	*	*			trans	-87.8	144	174.5	-106.8	-39.4	0	0	0	110.3
176	Q	25.4	Very low	27.1	Very low	157 Å²	157	144.7 Å²	144.7	73%	0.734	76%	0.755	S	S	*	*			trans	72.2	110	178.1	-39.9	-179.6	10.3	0	0	117.4
177	R	27.3	Very low	27.3	Very low	218 Å²	218	147.3 Å²	147.3	82%	0.823	76%	0.755	S	S	*	*				154.5	107.5	114.9	-81.9	163.2	-172.6	-161.7	2.3	114.5
178	K	26.2	Very low	27.1	Very low	186 Å²	186	146.4 Å²	146.4	81%	0.809	76%	0.761	S	S	*	*			trans	72.4	154.6	150.4	-65.9	-175.5	176.6	179.5	0	118.2
179	P	25.3	Very low	27.2	Very low	111 Å²	111	143.4 Å²	143.4	72%	0.721	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-96.5	150.3	-161.2	37	-35.4	0	0	0	114.4
180	V	28.6	Very low	27.3	Very low	131 Å²	131	145 Å²	145	79%	0.794	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-92.3	129.8	168.5	179.4	0	0	0	0	109.5
181	K	24.4	Very low	27.4	Very low	147 Å²	147	147.8 Å²	147.8	64%	0.639	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-70.1	134.3	175.9	-55.9	167	-173.4	169.2	0	109.6
182	F	28.1	Very low	27.6	Very low	179 Å²	179	146.2 Å²	146.2	79%	0.785	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-91	129.2	158.2	-94.7	-88.6	0	0	0	110
183	L	27.1	Very low	27.7	Very low	127 Å²	127	146.8 Å²	146.8	67%	0.665	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-77.1	155.5	-175.9	-104.8	68.9	0	0	0	112.4	L185	L183-L185 HydrophobicContact CB-CD1 4.02Å; L183-L185 HydrophobicContact CD2-CD1 4.5Å; L183-L185 PolarHBondContact O-N 3.44Å
184	S	25.6	Very low	27.9	Very low	48 Å²	48	141.8 Å²	141.8	34%	0.336	76%	0.756	S	S	.	*	P	Polyproline II helix	trans	-61.9	116.2	156.3	33.8	0	0	0	0	110.9	N912 D914	S184-N912 WeakPolarHBondContact CA-O 3.45Å; S184-N912 WeakPolarHBondContact CB-O 3.47Å; S184-D914 PolarHBondContact OG-OD1 3.45Å
185	L	27.3	Very low	28.1	Very low	146 Å²	146	144.8 Å²	144.8	76%	0.764	75%	0.754	S	S	*	*			trans	-133.8	149.5	166.1	-101.6	100.3	0	0	0	110.5	L183	L183-L185 HydrophobicContact CB-CD1 4.02Å; L183-L185 HydrophobicContact CD2-CD1 4.5Å; L183-L185 PolarHBondContact O-N 3.44Å
186	P	29.5	Very low	28.3	Very low	109 Å²	109	146 Å²	146	71%	0.708	75%	0.752	S	S	*	*			trans	-116.9	179.4	-131.1	15.9	6	0	0	0	115.3	C188	P186-C188 PolarHBondContact O-N 3.45Å
187	Y	29.6	Very low	28.4	Very low	209 Å²	209	144.9 Å²	144.9	82%	0.82	75%	0.751	S	S	*	*			trans	-41.4	122	172.7	-73.2	-98.7	0	0	0	113.5	T189	Y187-T189 PolarHBondContact O-N 3.3Å
188	C	25.4	Very low	28.8	Very low	137 Å²	137	138.2 Å²	138.2	93%	0.926	74%	0.737	S	S	*	*			trans	-72.6	89.5	168.2	-70.4	0	0	0	0	110.7	P186	P186-C188 PolarHBondContact O-N 3.45Å
189	T	32	Very low	29.2	Very low	129 Å²	129	135 Å²	135	79%	0.791	73%	0.734	S	S	*	*			trans	-101.8	134.1	164.6	49.5	0	0	0	0	110.2	Y187	Y187-T189 PolarHBondContact O-N 3.3Å
190	T	29.3	Very low	29.5	Very low	125 Å²	125	138.5 Å²	138.5	77%	0.767	74%	0.737	S	S	*	*			trans	-84	136.4	-170.2	49.1	0	0	0	0	113.3
191	N	30.6	Very low	29.8	Very low	160 Å²	160	137.3 Å²	137.3	86%	0.856	73%	0.73	S	S	*	*			trans	-167.8	168.2	143.5	-99.9	-30.5	0	0	0	112.1
192	V	31.5	Very low	30.2	Very low	123 Å²	123	138.5 Å²	138.5	75%	0.745	73%	0.731	S	S	*	*			trans	75	95.6	171.7	-164.5	0	0	0	0	117.4
193	L	28.9	Very low	30.5	Very low	164 Å²	164	133.9 Å²	133.9	86%	0.859	72%	0.717	S	S	*	*				34.5	140.3	116.1	-65.8	158	0	0	0	120
194	S	31	Very low	30.7	Very low	91 Å²	91	133.8 Å²	133.8	64%	0.636	72%	0.716	S	S	*	*			cis	-165.3	167.3	-4.4	76.9	0	0	0	0	114.6
195	K	31	Very low	31.2	Very low	187 Å²	187	135.2 Å²	135.2	81%	0.813	73%	0.727	S	S	*	*			trans	69.4	146.1	150.9	-78.8	175.5	177.6	171.9	0	121.9
196	K	30.2	Very low	31.8	Very low	183 Å²	183	134.9 Å²	134.9	80%	0.796	72%	0.715	S	S	*	*			trans	63.8	95.3	157	-73.3	-177.4	174.7	-176.1	0	120.2
197	N	28.6	Very low	32.5	Very low	133 Å²	133	133.7 Å²	133.7	71%	0.711	71%	0.706	S	S	*	*				136	152	118.5	-69.8	-8	0	0	0	116.7
198	S	35.7	Very low	33.3	Very low	77 Å²	77	128.5 Å²	128.5	54%	0.538	69%	0.692	S	S	.	*			trans	54.2	82	-176.1	-159.9	0	0	0	0	116.6
199	T	33.3	Very low	34.4	Very low	120 Å²	120	126 Å²	126	74%	0.736	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-17.7	177.1	46.6	0	0	0	0	114.9	T203	T199-T203 PolarHBondContact O-OG1 2.95Å
200	K	31.5	Very low	35.5	Very low	184 Å²	184	124.8 Å²	124.8	80%	0.8	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-26.6	-174.5	-81	-174.3	173.9	179.3	0	115.5	T203	K200-T203 PolarHBondContact O-OG1 3.36Å
201	V	36	Very low	36.8	Very low	105 Å²	105	121.8 Å²	121.8	64%	0.636	63%	0.631	S	S	*	*	H	α-helix	trans	-89.2	-36.6	-176.8	-176.9	0	0	0	0	112.1	T203	V201-T203 VanDerWaalsContact C-N 3.26Å; V201-T203 PolarHBondContact O-N 3.18Å
202	R	31.6	Very low	38	Very low	173 Å²	173	117.9 Å²	117.9	65%	0.653	62%	0.616	S	S	*	*	H	α-helix	trans	-69.4	-16.3	-178.3	-82.2	175.1	162.8	155	-9.1	114.8
203	T	34.1	Very low	39.7	Very low	81 Å²	81	114.9 Å²	114.9	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-84.3	-45.2	178.3	44.7	0	0	0	0	112.2	T199 K200 V201 S205 R206 V207	T199-T203 PolarHBondContact O-OG1 2.95Å; K200-T203 PolarHBondContact O-OG1 3.36Å; V201-T203 VanDerWaalsContact C-N 3.26Å; V201-T203 PolarHBondContact O-N 3.18Å; T203-S205 PolarHBondContact O-N 3Å; T203-R206 PolarHBondContact O-N 3.17Å; T203-V207 WeakPolarHBondContact O-CG2 3.44Å; T203-V207 PolarHBondContact O-N 3.48Å
204	L	32.6	Very low	41.5	Very low	125 Å²	125	111.5 Å²	111.5	65%	0.654	58%	0.577	S	S	*	*	H	α-helix	trans	-66.3	-38.2	-170.6	-156.6	70.4	0	0	0	113.4	N208	L204-N208 PolarHBondContact O-N 3.35Å
205	S	35.7	Very low	43.3	Very low	79 Å²	79	115.3 Å²	115.3	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-72.6	-37.2	177.2	58.7	0	0	0	0	113	T203 F209	T203-S205 PolarHBondContact O-N 3Å; S205-F209 PolarHBondContact O-N 3.28Å
206	R	38.8	Very low	45	Very low	139 Å²	139	110 Å²	110	53%	0.525	56%	0.557	S	S	.	*	H	α-helix	trans	-63.7	-46.9	175.3	-85.7	-176.7	165.8	174.9	-2.8	111.7	T203 N208 F209 F210	T203-R206 PolarHBondContact O-N 3.17Å; R206-N208 PolarHBondContact O-N 3.22Å; R206-F209 PolarHBondContact O-N 3.36Å; R206-F210 HydrophobicContact CB-CD2 4.47Å; R206-F210 HydrophobicContact CB-CE2 4.5Å; R206-F210 WeakPolarHBondContact O-CD2 3.33Å; R206-F210 PolarHBondContact O-N 2.99Å
207	V	44.2	Very low	46.8	Very low	84 Å²	84	105.4 Å²	105.4	51%	0.509	54%	0.54	S	S	.	.	H	α-helix	trans	-56.3	-51.4	179.5	170.6	0	0	0	0	110.7	T203 F209 F210 T211	T203-V207 WeakPolarHBondContact O-CG2 3.44Å; T203-V207 PolarHBondContact O-N 3.48Å; V207-F209 VanDerWaalsContact C-N 3.34Å; V207-F209 PolarHBondContact O-N 3.14Å; V207-F210 PolarHBondContact O-N 2.82Å; V207-T211 HydrophobicContact CG1-CG2 4.27Å; V207-T211 WeakPolarHBondContact O-CG2 3.38Å; V207-T211 PolarHBondContact O-N 3.19Å; V207-T211 PolarHBondContact O-OG1 2.91Å; V207-T211 VanDerWaalsContact O-OG1 3.08Å
208	N	47.2	Very low	48.6	Very low	100 Å²	100	103.5 Å²	103.5	54%	0.535	53%	0.529	S	S	.	.	H	α-helix	trans	-59.1	-41.1	-178.9	-76.1	-7.5	0	0	0	113.2	L204 R206 T211 C212	L204-N208 PolarHBondContact O-N 3.35Å; R206-N208 PolarHBondContact O-N 3.22Å; N208-T211 WeakPolarHBondContact CA-OG1 3.07Å; N208-T211 PolarHBondContact O-OG1 3.44Å; N208-C212 PolarHBondContact O-N 3.45Å; N208-C212 VanDerWaalsContact O-N 3.12Å
209	F	49.1	Very low	50	Low	85 Å²	85	104.3 Å²	104.3	37%	0.373	53%	0.526	S	S	.	.	H	α-helix	trans	-64.7	-48.7	177.1	-177.6	-96.7	0	0	0	112	S205 R206 V207 T211 C212 L213	S205-F209 PolarHBondContact O-N 3.28Å; R206-F209 PolarHBondContact O-N 3.36Å; V207-F209 VanDerWaalsContact C-N 3.34Å; V207-F209 PolarHBondContact O-N 3.14Å; F209-T211 PolarHBondContact O-N 2.84Å; F209-C212 PolarHBondContact O-N 3.01Å; F209-L213 PolarHBondContact O-N 3.25Å
210	F	54	Low	51.5	Low	102 Å²	102	101.4 Å²	101.4	45%	0.447	51%	0.508	S	S	.	.	H	α-helix	trans	-65.5	-37	178.8	-74.6	-64.1	0	0	0	112.3	R206 V207 C212 L213 I214	R206-F210 HydrophobicContact CB-CD2 4.47Å; R206-F210 HydrophobicContact CB-CE2 4.5Å; R206-F210 WeakPolarHBondContact O-CD2 3.33Å; R206-F210 PolarHBondContact O-N 2.99Å; V207-F210 PolarHBondContact O-N 2.82Å; F210-C212 VanDerWaalsContact C-N 3.34Å; F210-C212 PolarHBondContact O-N 2.99Å; F210-L213 PolarHBondContact O-N 3.21Å; F210-I214 WeakPolarHBondContact O-CB 3.34Å; F210-I214 WeakPolarHBondContact O-CD1 3.42Å; F210-I214 VanDerWaalsContact O-CG1 3.25Å; F210-I214 WeakPolarHBondContact O-CG1 3.42Å; F210-I214 PolarHBondContact O-N 3.2Å
211	T	57	Low	53	Low	63 Å²	63	97.5 Å²	97.5	39%	0.387	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-38.3	173.9	50.4	0	0	0	0	112.6	V207 N208 F209 W215	V207-T211 HydrophobicContact CG1-CG2 4.27Å; V207-T211 WeakPolarHBondContact O-CG2 3.38Å; V207-T211 PolarHBondContact O-N 3.19Å; V207-T211 PolarHBondContact O-OG1 2.91Å; V207-T211 VanDerWaalsContact O-OG1 3.08Å; N208-T211 WeakPolarHBondContact CA-OG1 3.07Å; N208-T211 PolarHBondContact O-OG1 3.44Å; F209-T211 PolarHBondContact O-N 2.84Å; T211-W215 WeakPolarHBondContact O-CB 3.35Å; T211-W215 PolarHBondContact O-N 3.21Å
212	C	57.1	Low	54.3	Low	78 Å²	78	95.4 Å²	95.4	53%	0.527	48%	0.481	S	S	.	.	H	α-helix	trans	-66	-43.1	174.1	-78.3	0	0	0	0	112	N208 F209 F210 I214 W215 I216	N208-C212 PolarHBondContact O-N 3.45Å; N208-C212 VanDerWaalsContact O-N 3.12Å; F209-C212 PolarHBondContact O-N 3.01Å; F210-C212 VanDerWaalsContact C-N 3.34Å; F210-C212 PolarHBondContact O-N 2.99Å; C212-I214 PolarHBondContact O-N 3.09Å; C212-W215 PolarHBondContact O-N 3.14Å; C212-I216 WeakPolarHBondContact O-CG1 3.48Å; C212-I216 PolarHBondContact O-N 3.45Å
213	L	65.3	Low	55.4	Low	59 Å²	59	90.9 Å²	90.9	31%	0.309	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-45.3	177.3	-161	77.4	0	0	0	111.5	F209 F210 I216 I217	F209-L213 PolarHBondContact O-N 3.25Å; F210-L213 PolarHBondContact O-N 3.21Å; L213-I216 PolarHBondContact O-N 3.05Å; L213-I217 HydrophobicContact CG-CD1 4.28Å; L213-I217 VanDerWaalsContact O-CG1 3.32Å; L213-I217 WeakPolarHBondContact O-CG1 3.43Å; L213-I217 PolarHBondContact O-N 3.48Å
214	I	68.6	Low	56.6	Low	93 Å²	93	89.4 Å²	89.4	48%	0.477	47%	0.466	S	S	.	.	H	α-helix	trans	-61.5	-44.8	176.8	-70.2	165.4	0	0	0	110.8	F210 C212 I216 I217 I218	F210-I214 WeakPolarHBondContact O-CB 3.34Å; F210-I214 WeakPolarHBondContact O-CD1 3.42Å; F210-I214 VanDerWaalsContact O-CG1 3.25Å; F210-I214 WeakPolarHBondContact O-CG1 3.42Å; F210-I214 PolarHBondContact O-N 3.2Å; C212-I214 PolarHBondContact O-N 3.09Å; I214-I216 PolarHBondContact O-N 3.48Å; I214-I217 PolarHBondContact O-N 3.26Å; I214-I218 HydrophobicContact CG2-CD1 3.7Å; I214-I218 HydrophobicContact CG2-CG1 4.42Å; I214-I218 VanDerWaalsContact O-CG1 3.29Å; I214-I218 WeakPolarHBondContact O-CG1 3.45Å; I214-I218 PolarHBondContact O-N 3.29Å
215	W	67.5	Low	58.1	Low	171 Å²	171	87.6 Å²	87.6	65%	0.648	46%	0.457	S	S	*	.	H	α-helix	trans	-62.4	-39.7	176.1	-95.4	93.2	0	0	0	113.2	T211 C212 I218 I219	T211-W215 WeakPolarHBondContact O-CB 3.35Å; T211-W215 PolarHBondContact O-N 3.21Å; C212-W215 PolarHBondContact O-N 3.14Å; W215-I218 PolarHBondContact O-N 3.2Å; W215-I219 HydrophobicContact CE3-CD1 4.21Å; W215-I219 HydrophobicContact CE3-CG1 4.42Å; W215-I219 WeakPolarHBondContact O-CD1 3.32Å; W215-I219 VanDerWaalsContact O-CG1 3.27Å; W215-I219 WeakPolarHBondContact O-CG1 3.12Å; W215-I219 PolarHBondContact O-N 3.38Å
216	I	66.4	Low	59.1	Low	76 Å²	76	90.3 Å²	90.3	39%	0.39	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-45.7	175.2	-68.9	163.8	0	0	0	110.4	C212 L213 I214 I218 I219 V220	C212-I216 WeakPolarHBondContact O-CG1 3.48Å; C212-I216 PolarHBondContact O-N 3.45Å; L213-I216 PolarHBondContact O-N 3.05Å; I214-I216 PolarHBondContact O-N 3.48Å; I216-I218 PolarHBondContact O-N 3.44Å; I216-I219 PolarHBondContact O-N 3.07Å; I216-V220 WeakPolarHBondContact O-CG2 3.41Å; I216-V220 PolarHBondContact O-N 2.91Å
217	I	68.1	Low	59.7	Low	87 Å²	87	87 Å²	87	45%	0.446	45%	0.453	S	S	.	.	H	α-helix	trans	-61.7	-43.9	177.8	-67.2	164	0	0	0	111	L213 I214 I219 V220 F221	L213-I217 HydrophobicContact CG-CD1 4.28Å; L213-I217 VanDerWaalsContact O-CG1 3.32Å; L213-I217 WeakPolarHBondContact O-CG1 3.43Å; L213-I217 PolarHBondContact O-N 3.48Å; I214-I217 PolarHBondContact O-N 3.26Å; I217-I219 PolarHBondContact O-N 3.08Å; I217-V220 PolarHBondContact O-N 3.36Å; I217-F221 HydrophobicContact CG2-CD2 3.99Å; I217-F221 HydrophobicContact CG2-CE2 4.34Å; I217-F221 PolarHBondContact O-N 2.9Å
218	I	67.4	Low	60.3	Low	93 Å²	93	87.7 Å²	87.7	48%	0.477	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-42	176.8	-70.7	167.7	0	0	0	111.5	I214 W215 I216 F221 S222	I214-I218 HydrophobicContact CG2-CD1 3.7Å; I214-I218 HydrophobicContact CG2-CG1 4.42Å; I214-I218 VanDerWaalsContact O-CG1 3.29Å; I214-I218 WeakPolarHBondContact O-CG1 3.45Å; I214-I218 PolarHBondContact O-N 3.29Å; W215-I218 PolarHBondContact O-N 3.2Å; I216-I218 PolarHBondContact O-N 3.44Å; I218-F221 PolarHBondContact O-N 2.9Å; I218-S222 VanDerWaalsContact O-CB 3.23Å; I218-S222 WeakPolarHBondContact O-CB 3.19Å; I218-S222 PolarHBondContact O-N 2.97Å
219	I	64.5	Low	60.5	Low	93 Å²	93	87.9 Å²	87.9	48%	0.477	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-44.6	177.7	-71.1	164.4	0	0	0	110.8	W215 I216 I217 S222 C223	W215-I219 HydrophobicContact CE3-CD1 4.21Å; W215-I219 HydrophobicContact CE3-CG1 4.42Å; W215-I219 WeakPolarHBondContact O-CD1 3.32Å; W215-I219 VanDerWaalsContact O-CG1 3.27Å; W215-I219 WeakPolarHBondContact O-CG1 3.12Å; W215-I219 PolarHBondContact O-N 3.38Å; I216-I219 PolarHBondContact O-N 3.07Å; I217-I219 PolarHBondContact O-N 3.08Å; I219-S222 PolarHBondContact O-N 3.38Å; I219-C223 PolarHBondContact O-N 3.43Å; I219-C223 PolarHBondContact O-SG 3.45Å
220	V	63.8	Low	60.4	Low	59 Å²	59	86.6 Å²	86.6	36%	0.358	46%	0.456	S	S	.	.	H	α-helix	trans	-62.2	-46.1	177.4	172.5	0	0	0	0	111.1	I216 I217 C223 T224	I216-V220 WeakPolarHBondContact O-CG2 3.41Å; I216-V220 PolarHBondContact O-N 2.91Å; I217-V220 PolarHBondContact O-N 3.36Å; V220-C223 PolarHBondContact O-N 2.76Å; V220-T224 PolarHBondContact O-N 3.47Å; V220-T224 PolarHBondContact O-OG1 2.79Å
221	F	64.3	Low	60	Low	103 Å²	103	85.6 Å²	85.6	45%	0.452	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-38.1	176.1	-97.1	-84.6	0	0	0	113.2	I217 I218 C223 T224 I225 L253	I217-F221 HydrophobicContact CG2-CD2 3.99Å; I217-F221 HydrophobicContact CG2-CE2 4.34Å; I217-F221 PolarHBondContact O-N 2.9Å; I218-F221 PolarHBondContact O-N 2.9Å; F221-C223 VanDerWaalsContact C-N 3.34Å; F221-T224 WeakPolarHBondContact CA-OG1 2.94Å; F221-T224 PolarHBondContact O-N 3.38Å; F221-T224 PolarHBondContact O-OG1 2.84Å; F221-I225 WeakPolarHBondContact O-CB 3.5Å; F221-I225 WeakPolarHBondContact O-CD1 3.33Å; F221-I225 VanDerWaalsContact O-CG1 3.25Å; F221-I225 WeakPolarHBondContact O-CG1 3.22Å; F221-I225 PolarHBondContact O-N 3.18Å; F221-L253 HydrophobicContact CZ-CD2 4.47Å
222	S	62.3	Low	59.3	Low	60 Å²	60	88.5 Å²	88.5	42%	0.42	46%	0.464	S	S	.	.	H	α-helix	trans	-65.3	-38.3	176.8	-172.1	0	0	0	0	111.9	I218 I219 K226	I218-S222 VanDerWaalsContact O-CB 3.23Å; I218-S222 WeakPolarHBondContact O-CB 3.19Å; I218-S222 PolarHBondContact O-N 2.97Å; I219-S222 PolarHBondContact O-N 3.38Å; S222-K226 WeakPolarHBondContact O-CG 3.47Å; S222-K226 PolarHBondContact O-N 2.75Å
223	C	55.7	Low	58.9	Low	78 Å²	78	93 Å²	93	53%	0.527	48%	0.477	S	S	.	.	H	α-helix	trans	-66.9	-46.3	172.4	-74.7	0	0	0	0	112.4	I219 V220 F221 K226 T227	I219-C223 PolarHBondContact O-N 3.43Å; I219-C223 PolarHBondContact O-SG 3.45Å; V220-C223 PolarHBondContact O-N 2.76Å; F221-C223 VanDerWaalsContact C-N 3.34Å; C223-K226 PolarHBondContact O-N 2.93Å; C223-T227 PolarHBondContact O-N 3.46Å; C223-T227 PolarHBondContact O-OG1 3.42Å
224	T	59.1	Low	57.7	Low	50 Å²	50	96.4 Å²	96.4	31%	0.307	50%	0.495	S	S	.	.	H	α-helix	trans	-66.7	-41.1	-178	53.5	0	0	0	0	112.5	V220 F221 K226 T227 I228	V220-T224 PolarHBondContact O-N 3.47Å; V220-T224 PolarHBondContact O-OG1 2.79Å; F221-T224 WeakPolarHBondContact CA-OG1 2.94Å; F221-T224 PolarHBondContact O-N 3.38Å; F221-T224 PolarHBondContact O-OG1 2.84Å; T224-K226 PolarHBondContact O-N 3.05Å; T224-T227 WeakPolarHBondContact CA-OG1 3.35Å; T224-T227 PolarHBondContact O-N 3.32Å; T224-T227 PolarHBondContact O-OG1 3.23Å; T224-I228 WeakPolarHBondContact O-CG1 3.43Å; T224-I228 PolarHBondContact O-N 2.8Å
225	I	64.2	Low	56.2	Low	87 Å²	87	97.5 Å²	97.5	45%	0.446	50%	0.498	S	S	.	.	H	α-helix	trans	-58.8	-48.4	174.4	-69	166.2	0	0	0	110.3	F221 T227 I228 E229	F221-I225 WeakPolarHBondContact O-CB 3.5Å; F221-I225 WeakPolarHBondContact O-CD1 3.33Å; F221-I225 VanDerWaalsContact O-CG1 3.25Å; F221-I225 WeakPolarHBondContact O-CG1 3.22Å; F221-I225 PolarHBondContact O-N 3.18Å; I225-T227 VanDerWaalsContact C-N 3.31Å; I225-T227 PolarHBondContact O-N 3.48Å; I225-I228 WeakPolarHBondContact O-CA 3.37Å; I225-I228 WeakPolarHBondContact O-CB 3.49Å; I225-I228 PolarHBondContact O-N 3.39Å; I225-E229 HydrophobicContact CG2-CG 4.38Å; I225-E229 PolarHBondContact O-N 3.4Å
226	K	56.7	Low	54.8	Low	137 Å²	137	98.3 Å²	98.3	60%	0.596	51%	0.509	S	S	*	.	H	α-helix	trans	-63.9	-31.9	177.9	-76.5	-172.7	173.2	-170.1	0	114.1	S222 C223 T224 I228 A230	S222-K226 WeakPolarHBondContact O-CG 3.47Å; S222-K226 PolarHBondContact O-N 2.75Å; C223-K226 PolarHBondContact O-N 2.93Å; T224-K226 PolarHBondContact O-N 3.05Å; K226-I228 VanDerWaalsContact C-N 3.33Å; K226-A230 VanDerWaalsContact O-CB 3.25Å; K226-A230 WeakPolarHBondContact O-CB 3.41Å; K226-A230 PolarHBondContact O-N 3.38Å; K226-A230 VanDerWaalsContact O-N 3.08Å
227	T	52.3	Low	53.1	Low	68 Å²	68	99.6 Å²	99.6	42%	0.417	52%	0.524	S	S	.	.	H	α-helix	trans	-69.9	-30.6	171.9	50.1	0	0	0	0	112.7	C223 T224 I225 I231	C223-T227 PolarHBondContact O-N 3.46Å; C223-T227 PolarHBondContact O-OG1 3.42Å; T224-T227 WeakPolarHBondContact CA-OG1 3.35Å; T224-T227 PolarHBondContact O-N 3.32Å; T224-T227 PolarHBondContact O-OG1 3.23Å; I225-T227 VanDerWaalsContact C-N 3.31Å; I225-T227 PolarHBondContact O-N 3.48Å; T227-I231 WeakPolarHBondContact O-CD1 3.29Å; T227-I231 VanDerWaalsContact O-CG1 3.22Å; T227-I231 WeakPolarHBondContact O-CG1 3.43Å; T227-I231 PolarHBondContact O-N 3.27Å
228	I	56	Low	51.4	Low	99 Å²	99	100.7 Å²	100.7	51%	0.508	54%	0.535	S	S	.	.	H	α-helix	trans	-71.9	-50	175.4	-66.7	162.5	0	0	0	109.9	T224 I225 K226 A230 I231 E232	T224-I228 WeakPolarHBondContact O-CG1 3.43Å; T224-I228 PolarHBondContact O-N 2.8Å; I225-I228 WeakPolarHBondContact O-CA 3.37Å; I225-I228 WeakPolarHBondContact O-CB 3.49Å; I225-I228 PolarHBondContact O-N 3.39Å; K226-I228 VanDerWaalsContact C-N 3.33Å; I228-A230 VanDerWaalsContact C-N 3.25Å; I228-A230 PolarHBondContact O-N 2.99Å; I228-I231 PolarHBondContact O-N 3.3Å; I228-E232 WeakPolarHBondContact O-CB 3.41Å; I228-E232 PolarHBondContact O-N 2.92Å
229	E	51.8	Low	49.9	Very low	104 Å²	104	105.3 Å²	105.3	49%	0.486	55%	0.554	S	S	.	*	H	α-helix	trans	-54.3	-41	175.3	-67.8	174.8	149.1	0	0	112	I225 I231 E232 Q233	I225-E229 HydrophobicContact CG2-CG 4.38Å; I225-E229 PolarHBondContact O-N 3.4Å; E229-I231 PolarHBondContact O-N 3.02Å; E229-E232 PolarHBondContact O-N 3.45Å; E229-Q233 WeakPolarHBondContact O-CG 3.28Å; E229-Q233 PolarHBondContact O-N 3.25Å
230	A	47.4	Very low	48.3	Very low	58 Å²	58	108.2 Å²	108.2	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-72.1	-23.1	178.4	0	0	0	0	0	114.4	K226 I228	K226-A230 VanDerWaalsContact O-CB 3.25Å; K226-A230 WeakPolarHBondContact O-CB 3.41Å; K226-A230 PolarHBondContact O-N 3.38Å; K226-A230 VanDerWaalsContact O-N 3.08Å; I228-A230 VanDerWaalsContact C-N 3.25Å; I228-A230 PolarHBondContact O-N 2.99Å
231	I	45.7	Very low	47	Very low	81 Å²	81	109.9 Å²	109.9	42%	0.415	58%	0.584	S	S	.	*	H	α-helix	trans	-80.7	-42.6	172.2	-72.8	164.7	0	0	0	109.9	F100 T227 I228 E229 Q233 L234 H235	F100-I231 HydrophobicContact CZ-CG1 4.16Å; T227-I231 WeakPolarHBondContact O-CD1 3.29Å; T227-I231 VanDerWaalsContact O-CG1 3.22Å; T227-I231 WeakPolarHBondContact O-CG1 3.43Å; T227-I231 PolarHBondContact O-N 3.27Å; I228-I231 PolarHBondContact O-N 3.3Å; E229-I231 PolarHBondContact O-N 3.02Å; I231-Q233 PolarHBondContact O-N 3.46Å; I231-L234 PolarHBondContact O-N 3.37Å; I231-H235 PolarHBondContact O-N 3.12Å
232	E	42.2	Very low	46	Very low	125 Å²	125	111 Å²	111	58%	0.584	60%	0.595	S	S	*	*	H	α-helix	trans	-64.6	-39.5	-177.7	-159.7	161.1	-135.4	0	0	111.7	I228 E229 L234	I228-E232 WeakPolarHBondContact O-CB 3.41Å; I228-E232 PolarHBondContact O-N 2.92Å; E229-E232 PolarHBondContact O-N 3.45Å; E232-L234 PolarHBondContact O-N 3.01Å
233	Q	46.7	Very low	45	Very low	171 Å²	171	113.5 Å²	113.5	80%	0.799	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-10.6	172.7	-72.1	-170.5	-1.1	0	0	115.1	E229 I231	E229-Q233 WeakPolarHBondContact O-CG 3.28Å; E229-Q233 PolarHBondContact O-N 3.25Å; I231-Q233 PolarHBondContact O-N 3.46Å
234	L	40.9	Very low	44.2	Very low	131 Å²	131	118.8 Å²	118.8	69%	0.686	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-15.5	-176.9	-132	79.1	0	0	0	114.4	I231 E232	I231-L234 PolarHBondContact O-N 3.37Å; E232-L234 PolarHBondContact O-N 3.01Å
235	H	37.6	Very low	43.4	Very low	116 Å²	116	123.5 Å²	123.5	54%	0.537	63%	0.629	S	S	.	*			trans	-126.2	68.5	-171.9	-107.4	-95.8	0	0	0	112.9	I231 S237 T238	I231-H235 PolarHBondContact O-N 3.12Å; H235-S237 PolarHBondContact O-N 2.78Å; H235-T238 PolarHBondContact ND1-OG1 3.3Å; H235-T238 VanDerWaalsContact ND1-OG1 3.14Å
236	H	36.8	Very low	42.5	Very low	189 Å²	189	123.1 Å²	123.1	88%	0.875	63%	0.627	S	S	*	*	S	Bend	trans	-72.1	7.4	176.8	-125.4	-62.2	0	0	0	114.9
237	S	32.2	Very low	42.2	Very low	102 Å²	102	121 Å²	121	71%	0.713	62%	0.621	S	S	*	*	S	Bend	trans	-154.4	67.7	-172.8	65.4	0	0	0	0	114.2	H235	H235-S237 PolarHBondContact O-N 2.78Å
238	T	32.8	Very low	42	Very low	110 Å²	110	122 Å²	122	68%	0.675	62%	0.624	S	S	*	*			trans	-170.6	104.2	154.7	32.8	0	0	0	0	109.6	H235	H235-T238 PolarHBondContact ND1-OG1 3.3Å; H235-T238 VanDerWaalsContact ND1-OG1 3.14Å
239	Q	35.1	Very low	41.6	Very low	190 Å²	190	122 Å²	122	89%	0.888	62%	0.624	S	S	*	*			trans	-77.8	171.8	168.4	-79.7	169.9	-63.4	0	0	111.9
240	L	31.6	Very low	41.6	Very low	155 Å²	155	119.8 Å²	119.8	81%	0.812	62%	0.616	S	S	*	*	S	Bend	trans	71.3	53.1	159.5	-128.9	74.9	0	0	0	118.3
241	S	36.5	Very low	42	Very low	93 Å²	93	122.3 Å²	122.3	65%	0.65	62%	0.618	S	S	*	*	S	Bend	trans	-145.1	-33.6	163.8	-170.1	0	0	0	0	114.3	E243	S241-E243 PolarHBondContact O-N 3.44Å
242	N	41.5	Very low	42.4	Very low	127 Å²	127	121 Å²	121	68%	0.679	62%	0.616	S	S	*	*	S	Bend	trans	-79.3	-18.7	-169.3	-67.7	-15.3	0	0	0	115.6	Y244 H245 L246	N242-Y244 PolarHBondContact O-N 2.76Å; N242-H245 PolarHBondContact O-N 3.03Å; N242-L246 PolarHBondContact O-N 3.16Å; N242-L246 VanDerWaalsContact O-N 3.14Å
243	E	41.8	Very low	42.8	Very low	112 Å²	112	118.2 Å²	118.2	52%	0.523	60%	0.604	S	S	.	*	H	α-helix	trans	-64.4	-41.5	-169.5	-61.9	-176.5	127.7	0	0	113.3	S241 H245 L246 I247	S241-E243 PolarHBondContact O-N 3.44Å; E243-H245 VanDerWaalsContact C-N 3.29Å; E243-H245 PolarHBondContact O-N 2.92Å; E243-L246 PolarHBondContact O-N 3.28Å; E243-I247 WeakPolarHBondContact O-CG1 3.48Å; E243-I247 PolarHBondContact O-N 3.24Å
244	Y	38.3	Very low	43.3	Very low	189 Å²	189	111.8 Å²	111.8	74%	0.741	58%	0.578	S	S	*	*	H	α-helix	trans	-64.6	-31.5	178.2	-103.7	-84.8	0	0	0	113.1	N242 N248	N242-Y244 PolarHBondContact O-N 2.76Å; Y244-N248 PolarHBondContact O-N 3.14Å; Y244-N248 PolarHBondContact O-ND2 2.85Å
245	H	43.1	Very low	44.2	Very low	149 Å²	149	110 Å²	110	69%	0.69	57%	0.569	S	S	*	*	H	α-helix	trans	-74.5	-39.6	174.6	-80.7	-68.6	0	0	0	111.7	N242 E243 N248 L249	N242-H245 PolarHBondContact O-N 3.03Å; E243-H245 VanDerWaalsContact C-N 3.29Å; E243-H245 PolarHBondContact O-N 2.92Å; H245-N248 PolarHBondContact O-N 2.9Å; H245-L249 WeakPolarHBondContact O-CB 3.34Å; H245-L249 PolarHBondContact O-N 2.85Å
246	L	44.7	Very low	44.9	Very low	80 Å²	80	108.3 Å²	108.3	42%	0.419	56%	0.563	S	S	.	*	H	α-helix	trans	-64.9	-43	178.7	-162.8	73.1	0	0	0	111.9	N242 E243 L249 L250	N242-L246 PolarHBondContact O-N 3.16Å; N242-L246 VanDerWaalsContact O-N 3.14Å; E243-L246 PolarHBondContact O-N 3.28Å; L246-L249 PolarHBondContact O-N 3.32Å; L246-L250 HydrophobicContact CG-CD1 4.16Å; L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 WeakPolarHBondContact O-CG 3.34Å; L246-L250 PolarHBondContact O-N 2.97Å
247	I	50.6	Low	45.5	Very low	92 Å²	92	99.6 Å²	99.6	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-44.3	178.4	-67.2	169.4	0	0	0	111.3	E243 L249 L250 Q251	E243-I247 WeakPolarHBondContact O-CG1 3.48Å; E243-I247 PolarHBondContact O-N 3.24Å; I247-L249 VanDerWaalsContact C-N 3.32Å; I247-L249 PolarHBondContact O-N 2.8Å; I247-L250 PolarHBondContact O-N 3.08Å; I247-Q251 HydrophobicContact CG2-CG 4.43Å; I247-Q251 WeakPolarHBondContact O-CB 3.41Å; I247-Q251 WeakPolarHBondContact O-CG 3.31Å; I247-Q251 PolarHBondContact O-N 3.41Å
248	N	48.5	Very low	46.6	Very low	89 Å²	89	101.8 Å²	101.8	48%	0.476	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-36	175.9	-81.3	-65	0	0	0	112.5	Y244 H245 S252	Y244-N248 PolarHBondContact O-N 3.14Å; Y244-N248 PolarHBondContact O-ND2 2.85Å; H245-N248 PolarHBondContact O-N 2.9Å; N248-S252 WeakPolarHBondContact O-CB 3.46Å; N248-S252 PolarHBondContact O-N 3.07Å; N248-S252 PolarHBondContact O-OG 2.83Å
249	L	47.6	Very low	47.5	Very low	98 Å²	98	103.7 Å²	103.7	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-69.4	-41.6	176	-172	138.3	0	0	0	111.7	H245 L246 I247 S252 L253	H245-L249 WeakPolarHBondContact O-CB 3.34Å; H245-L249 PolarHBondContact O-N 2.85Å; L246-L249 PolarHBondContact O-N 3.32Å; I247-L249 VanDerWaalsContact C-N 3.32Å; I247-L249 PolarHBondContact O-N 2.8Å; L249-S252 WeakPolarHBondContact CA-OG 3.43Å; L249-S252 PolarHBondContact O-OG 3.37Å; L249-S252 VanDerWaalsContact O-OG 3.04Å; L249-L253 HydrophobicContact CD2-CD1 3.66Å; L249-L253 HydrophobicContact CD2-CG 4.48Å; L249-L253 HydrophobicContact CG-CD1 4.46Å; L249-L253 WeakPolarHBondContact O-CB 3.42Å; L249-L253 VanDerWaalsContact O-CG 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 3.28Å
250	L	52.7	Low	48.1	Very low	59 Å²	59	99.9 Å²	99.9	31%	0.309	51%	0.505	S	S	.	.	H	α-helix	trans	-66.6	-39.3	174.1	-71.2	169.2	0	0	0	112.4	L246 I247 S254	L246-L250 HydrophobicContact CG-CD1 4.16Å; L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 WeakPolarHBondContact O-CG 3.34Å; L246-L250 PolarHBondContact O-N 2.97Å; I247-L250 PolarHBondContact O-N 3.08Å; L250-S254 WeakPolarHBondContact O-CB 3.38Å; L250-S254 PolarHBondContact O-N 3.31Å
251	Q	54.9	Low	48.9	Very low	111 Å²	111	93.8 Å²	93.8	52%	0.519	47%	0.473	S	S	.	.	H	α-helix	trans	-65.9	-44.7	175.6	-76	-176.3	0.3	0	0	112.1	I247 S254 I255	I247-Q251 HydrophobicContact CG2-CG 4.43Å; I247-Q251 WeakPolarHBondContact O-CB 3.41Å; I247-Q251 WeakPolarHBondContact O-CG 3.31Å; I247-Q251 PolarHBondContact O-N 3.41Å; Q251-S254 WeakPolarHBondContact O-CB 3.28Å; Q251-S254 PolarHBondContact O-N 3Å; Q251-I255 WeakPolarHBondContact O-CG1 3.35Å; Q251-I255 PolarHBondContact O-N 3.27Å
252	S	53.4	Low	49.4	Very low	53 Å²	53	94 Å²	94	37%	0.371	48%	0.475	S	S	.	.	H	α-helix	trans	-66.1	-39.2	176.5	52.8	0	0	0	0	112.4	N248 L249 S254 I255 I256	N248-S252 WeakPolarHBondContact O-CB 3.46Å; N248-S252 PolarHBondContact O-N 3.07Å; N248-S252 PolarHBondContact O-OG 2.83Å; L249-S252 WeakPolarHBondContact CA-OG 3.43Å; L249-S252 PolarHBondContact O-OG 3.37Å; L249-S252 VanDerWaalsContact O-OG 3.04Å; S252-S254 VanDerWaalsContact C-N 3.33Å; S252-S254 PolarHBondContact O-N 3.3Å; S252-I255 PolarHBondContact O-N 3.38Å; S252-I256 VanDerWaalsContact O-CG1 3.29Å; S252-I256 WeakPolarHBondContact O-CG1 3.5Å; S252-I256 PolarHBondContact O-N 3.32Å
253	L	50.8	Low	49.7	Very low	66 Å²	66	94.5 Å²	94.5	35%	0.346	48%	0.478	S	S	.	.	H	α-helix	trans	-61.3	-38.7	169.6	-74.2	172.9	0	0	0	112.5	F221 L249 G257	F221-L253 HydrophobicContact CZ-CD2 4.47Å; L249-L253 HydrophobicContact CD2-CD1 3.66Å; L249-L253 HydrophobicContact CD2-CG 4.48Å; L249-L253 HydrophobicContact CG-CD1 4.46Å; L249-L253 WeakPolarHBondContact O-CB 3.42Å; L249-L253 VanDerWaalsContact O-CG 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 3.28Å; L253-G257 PolarHBondContact O-N 3.44Å
254	S	58.9	Low	50.1	Low	36 Å²	36	95 Å²	95	25%	0.252	48%	0.482	S	S	.	.	H	α-helix	trans	-62.4	-40.9	172.6	138.8	0	0	0	0	112.2	L250 Q251 S252 K258	L250-S254 WeakPolarHBondContact O-CB 3.38Å; L250-S254 PolarHBondContact O-N 3.31Å; Q251-S254 WeakPolarHBondContact O-CB 3.28Å; Q251-S254 PolarHBondContact O-N 3Å; S252-S254 VanDerWaalsContact C-N 3.33Å; S252-S254 PolarHBondContact O-N 3.3Å; S254-K258 WeakPolarHBondContact O-CB 3.4Å; S254-K258 VanDerWaalsContact O-CG 3.24Å; S254-K258 WeakPolarHBondContact O-CG 3.35Å; S254-K258 PolarHBondContact O-N 2.89Å
255	I	58.4	Low	50.6	Low	94 Å²	94	88.6 Å²	88.6	48%	0.482	46%	0.461	S	S	.	.	H	α-helix	trans	-67.6	-49	178.6	-68.6	162.7	0	0	0	110.6	Q251 S252 G257 K258 Q259	Q251-I255 WeakPolarHBondContact O-CG1 3.35Å; Q251-I255 PolarHBondContact O-N 3.27Å; S252-I255 PolarHBondContact O-N 3.38Å; I255-G257 PolarHBondContact O-N 3.25Å; I255-K258 PolarHBondContact O-N 3.35Å; I255-Q259 WeakPolarHBondContact O-CG 3.45Å; I255-Q259 PolarHBondContact O-N 3.45Å
256	I	52.6	Low	51.6	Low	81 Å²	81	84.9 Å²	84.9	42%	0.415	45%	0.449	S	S	.	.	H	α-helix	trans	-61.5	-45.8	177.7	-66	163.8	0	0	0	110.3	S252 K258 Q259 M260	S252-I256 VanDerWaalsContact O-CG1 3.29Å; S252-I256 WeakPolarHBondContact O-CG1 3.5Å; S252-I256 PolarHBondContact O-N 3.32Å; I256-K258 VanDerWaalsContact C-N 3.32Å; I256-K258 PolarHBondContact O-N 2.7Å; I256-Q259 PolarHBondContact O-N 3.07Å; I256-Q259 VanDerWaalsContact O-N 3.16Å; I256-M260 HydrophobicContact CG2-CE 4.02Å; I256-M260 HydrophobicContact CG2-SD 4.45Å; I256-M260 PolarHBondContact O-N 3.5Å
257	G	49.3	Very low	52.5	Low	5 Å²	5	89.8 Å²	89.8	5%	0.052	47%	0.467	C	S	.	.	H	α-helix	trans	-61	-37.3	177	0	0	0	0	0	113.1	L253 I255 N261	L253-G257 PolarHBondContact O-N 3.44Å; I255-G257 PolarHBondContact O-N 3.25Å; G257-N261 WeakPolarHBondContact O-CB 3.39Å
258	K	54.5	Low	53.2	Low	149 Å²	149	89.2 Å²	89.2	65%	0.648	47%	0.471	S	S	*	.	H	α-helix	trans	-69	-40.6	172.5	-76.3	170.9	-177.6	176.3	0	112.3	S254 I255 I256 M260 N261	S254-K258 WeakPolarHBondContact O-CB 3.4Å; S254-K258 VanDerWaalsContact O-CG 3.24Å; S254-K258 WeakPolarHBondContact O-CG 3.35Å; S254-K258 PolarHBondContact O-N 2.89Å; I255-K258 PolarHBondContact O-N 3.35Å; I256-K258 VanDerWaalsContact C-N 3.32Å; I256-K258 PolarHBondContact O-N 2.7Å; K258-M260 VanDerWaalsContact C-N 3.34Å; K258-M260 PolarHBondContact O-N 2.93Å; K258-N261 WeakPolarHBondContact O-CB 3.33Å; K258-N261 PolarHBondContact O-N 2.97Å
259	Q	53.1	Low	53.6	Low	149 Å²	149	89.4 Å²	89.4	70%	0.696	47%	0.469	S	S	*	.	H	α-helix	trans	-66.1	-31.3	178.9	-75.9	177.7	-23.4	0	0	113.4	I255 I256 N261	I255-Q259 WeakPolarHBondContact O-CG 3.45Å; I255-Q259 PolarHBondContact O-N 3.45Å; I256-Q259 PolarHBondContact O-N 3.07Å; I256-Q259 VanDerWaalsContact O-N 3.16Å; Q259-N261 VanDerWaalsContact C-N 3.31Å
260	M	46.7	Very low	54.1	Low	110 Å²	110	87.7 Å²	87.7	54%	0.542	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.4	175	-68.1	-174.7	175.9	0	0	114	I256 K258	I256-M260 HydrophobicContact CG2-CE 4.02Å; I256-M260 HydrophobicContact CG2-SD 4.45Å; I256-M260 PolarHBondContact O-N 3.5Å; K258-M260 VanDerWaalsContact C-N 3.34Å; K258-M260 PolarHBondContact O-N 2.93Å
261	N	48.5	Very low	55	Low	27 Å²	27	92.7 Å²	92.7	14%	0.144	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-12.9	-159.7	-142.2	-8.2	0	0	0	115.9	G257 K258 Q259 Q270	G257-N261 WeakPolarHBondContact O-CB 3.39Å; K258-N261 WeakPolarHBondContact O-CB 3.33Å; K258-N261 PolarHBondContact O-N 2.97Å; Q259-N261 VanDerWaalsContact C-N 3.31Å; N261-Q270 PolarHBondContact O-NE2 3.42Å; N261-Q270 WeakPolarHBondContact OD1-CG 3.42Å; N261-Q270 PolarHBondContact OD1-NE2 3.5Å
262	S	47.7	Very low	55.7	Low	97 Å²	97	91.2 Å²	91.2	68%	0.678	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-34.9	-174.3	66.1	0	0	0	0	114.4
263	N	48.5	Very low	56.1	Low	139 Å²	139	93.9 Å²	93.9	74%	0.743	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-3.4	-162.7	-64.6	10	0	0	0	114.8
264	I	48.6	Very low	56.9	Low	121 Å²	121	94.3 Å²	94.3	62%	0.621	48%	0.481	S	S	*	.	S	Bend	trans	-123.6	-35.4	-165.5	-59.9	176.9	0	0	0	113.6
265	L	49.4	Very low	57.4	Low	56 Å²	56	99.1 Å²	99.1	29%	0.293	49%	0.494	S	S	.	.			trans	-97	138.8	-173.3	-73.1	151.3	0	0	0	112	E269 Q270	L265-E269 HydrophobicContact CB-CB 4.44Å; L265-E269 HydrophobicContact CD2-CB 3.62Å; L265-Q270 HydrophobicContact CB-CB 4.39Å
266	T	65.1	Low	57.7	Low	70 Å²	70	98.8 Å²	98.8	43%	0.429	49%	0.493	S	S	.	.			trans	-69.1	158.4	169.3	63	0	0	0	0	111.3	S268 E269 Q270	T266-S268 PolarHBondContact O-N 3.05Å; T266-S268 VanDerWaalsContact O-N 3.08Å; T266-S268 PolarHBondContact OG1-OG 2.8Å; T266-E269 VanDerWaalsContact CB-OE2 3.24Å; T266-E269 WeakPolarHBondContact CB-OE2 3.42Å; T266-E269 VanDerWaalsContact CG2-OE2 3.28Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.46Å; T266-E269 PolarHBondContact N-OE2 3.34Å; T266-E269 PolarHBondContact O-N 3.45Å; T266-E269 VanDerWaalsContact OG1-CD 3.23Å; T266-E269 WeakPolarHBondContact OG1-CG 3.2Å; T266-E269 PolarHBondContact OG1-N 2.79Å; T266-E269 PolarHBondContact OG1-OE2 3.18Å; T266-Q270 VanDerWaalsContact O-CB 3.28Å; T266-Q270 WeakPolarHBondContact O-CB 3.25Å; T266-Q270 PolarHBondContact O-N 3.13Å
267	K	63.1	Low	58.3	Low	184 Å²	184	97.6 Å²	97.6	80%	0.8	49%	0.487	S	S	*	.	H	α-helix	trans	-54.4	-29.4	175.5	-84	-174.6	174.1	178.8	0	113.6	K271	K267-K271 PolarHBondContact O-N 3.4Å
268	S	64.4	Low	59.3	Low	80 Å²	80	102.1 Å²	102.1	56%	0.559	51%	0.507	S	S	*	.	H	α-helix	trans	-68.7	-55	172.2	23.3	0	0	0	0	111.8	T266 Q270 K271 T272	T266-S268 PolarHBondContact O-N 3.05Å; T266-S268 VanDerWaalsContact O-N 3.08Å; T266-S268 PolarHBondContact OG1-OG 2.8Å; S268-Q270 VanDerWaalsContact C-N 3.3Å; S268-Q270 PolarHBondContact O-N 2.92Å; S268-K271 WeakPolarHBondContact O-CB 3.39Å; S268-K271 PolarHBondContact O-N 2.87Å; S268-K271 VanDerWaalsContact O-N 3.12Å; S268-T272 PolarHBondContact O-N 3.19Å; S268-T272 VanDerWaalsContact O-N 3.07Å; S268-T272 PolarHBondContact O-OG1 3.45Å; S268-T272 VanDerWaalsContact O-OG1 3.06Å
269	E	57.3	Low	60.1	Low	93 Å²	93	101 Å²	101	44%	0.435	50%	0.502	S	S	.	.	H	α-helix	trans	-66	-34.2	-178.4	-63.4	157.4	133	0	0	112	L265 T266 K271 T272 W273	L265-E269 HydrophobicContact CB-CB 4.44Å; L265-E269 HydrophobicContact CD2-CB 3.62Å; T266-E269 VanDerWaalsContact CB-OE2 3.24Å; T266-E269 WeakPolarHBondContact CB-OE2 3.42Å; T266-E269 VanDerWaalsContact CG2-OE2 3.28Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.46Å; T266-E269 PolarHBondContact N-OE2 3.34Å; T266-E269 PolarHBondContact O-N 3.45Å; T266-E269 VanDerWaalsContact OG1-CD 3.23Å; T266-E269 WeakPolarHBondContact OG1-CG 3.2Å; T266-E269 PolarHBondContact OG1-N 2.79Å; T266-E269 PolarHBondContact OG1-OE2 3.18Å; E269-K271 VanDerWaalsContact C-N 3.34Å; E269-K271 PolarHBondContact O-N 3.37Å; E269-T272 CarbonylContact O-C 3.54Å; E269-T272 PolarHBondContact O-N 3.09Å; E269-T272 VanDerWaalsContact O-N 3.16Å; E269-W273 WeakPolarHBondContact O-CB 3.43Å; E269-W273 PolarHBondContact O-N 2.81Å
270	Q	59.2	Low	60.6	Low	62 Å²	62	98 Å²	98	29%	0.29	49%	0.49	S	S	.	.	H	α-helix	trans	-62.9	-36.8	173.1	179.8	169.2	81.5	0	0	112.1	N261 L265 T266 S268 N274	N261-Q270 PolarHBondContact O-NE2 3.42Å; N261-Q270 WeakPolarHBondContact OD1-CG 3.42Å; N261-Q270 PolarHBondContact OD1-NE2 3.5Å; L265-Q270 HydrophobicContact CB-CB 4.39Å; T266-Q270 VanDerWaalsContact O-CB 3.28Å; T266-Q270 WeakPolarHBondContact O-CB 3.25Å; T266-Q270 PolarHBondContact O-N 3.13Å; S268-Q270 VanDerWaalsContact C-N 3.3Å; S268-Q270 PolarHBondContact O-N 2.92Å; Q270-N274 WeakPolarHBondContact O-CB 3.18Å; Q270-N274 PolarHBondContact O-N 3.5Å; Q270-N274 PolarHBondContact O-ND2 3.2Å; Q270-N274 PolarHBondContact O-OD1 2.91Å
271	K	70.7	Confident	61.4	Low	164 Å²	164	96.6 Å²	96.6	71%	0.713	48%	0.484	S	S	*	.	H	α-helix	trans	-65.1	-45.8	168.9	-80.7	-174.8	174.3	-171.8	0	111.3	K267 S268 E269 W273 N274 Y275	K267-K271 PolarHBondContact O-N 3.4Å; S268-K271 WeakPolarHBondContact O-CB 3.39Å; S268-K271 PolarHBondContact O-N 2.87Å; S268-K271 VanDerWaalsContact O-N 3.12Å; E269-K271 VanDerWaalsContact C-N 3.34Å; E269-K271 PolarHBondContact O-N 3.37Å; K271-W273 VanDerWaalsContact C-N 3.34Å; K271-W273 PolarHBondContact O-N 2.98Å; K271-N274 PolarHBondContact O-N 3.19Å; K271-Y275 WeakPolarHBondContact O-CB 3.29Å; K271-Y275 PolarHBondContact O-N 3.04Å
272	T	70.4	Confident	62.3	Low	80 Å²	80	100.9 Å²	100.9	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-41.1	179.1	-39	0	0	0	0	112	S268 E269 Y275 L276	S268-T272 PolarHBondContact O-N 3.19Å; S268-T272 VanDerWaalsContact O-N 3.07Å; S268-T272 PolarHBondContact O-OG1 3.45Å; S268-T272 VanDerWaalsContact O-OG1 3.06Å; E269-T272 CarbonylContact O-C 3.54Å; E269-T272 PolarHBondContact O-N 3.09Å; E269-T272 VanDerWaalsContact O-N 3.16Å; T272-Y275 PolarHBondContact O-N 3.13Å; T272-L276 HydrophobicContact CG2-CD1 4.4Å; T272-L276 WeakPolarHBondContact O-CB 3.29Å; T272-L276 WeakPolarHBondContact O-CG 3.44Å; T272-L276 PolarHBondContact O-N 2.79Å
273	W	61.1	Low	63.1	Low	108 Å²	108	99.7 Å²	99.7	41%	0.409	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-50	176.3	-179.7	-98.6	0	0	0	111.5	E269 K271 Y275 L276 L277	E269-W273 WeakPolarHBondContact O-CB 3.43Å; E269-W273 PolarHBondContact O-N 2.81Å; K271-W273 VanDerWaalsContact C-N 3.34Å; K271-W273 PolarHBondContact O-N 2.98Å; W273-Y275 VanDerWaalsContact C-N 3.33Å; W273-Y275 PolarHBondContact O-N 2.84Å; W273-L276 PolarHBondContact O-N 3.14Å; W273-L277 WeakPolarHBondContact O-CB 3.44Å; W273-L277 PolarHBondContact O-N 2.78Å
274	N	67.5	Low	63.2	Low	76 Å²	76	96 Å²	96	41%	0.406	47%	0.471	S	S	.	.	H	α-helix	trans	-62.3	-40.2	178.2	-69.2	-9.7	0	0	0	111.6	Q270 K271 L277 E278	Q270-N274 WeakPolarHBondContact O-CB 3.18Å; Q270-N274 PolarHBondContact O-N 3.5Å; Q270-N274 PolarHBondContact O-ND2 3.2Å; Q270-N274 PolarHBondContact O-OD1 2.91Å; K271-N274 PolarHBondContact O-N 3.19Å; N274-L277 PolarHBondContact O-N 3.27Å; N274-E278 WeakPolarHBondContact O-CB 3.42Å; N274-E278 PolarHBondContact O-N 3.28Å
275	Y	68.4	Low	63.6	Low	136 Å²	136	94.7 Å²	94.7	53%	0.533	47%	0.465	S	S	.	.	H	α-helix	trans	-63.5	-43.9	174.7	170.6	-110.2	0	0	0	112.7	K271 T272 W273 E278 K279	K271-Y275 WeakPolarHBondContact O-CB 3.29Å; K271-Y275 PolarHBondContact O-N 3.04Å; T272-Y275 PolarHBondContact O-N 3.13Å; W273-Y275 VanDerWaalsContact C-N 3.33Å; W273-Y275 PolarHBondContact O-N 2.84Å; Y275-E278 PolarHBondContact O-N 2.89Å; Y275-K279 WeakPolarHBondContact O-CB 3.48Å; Y275-K279 PolarHBondContact O-N 2.81Å
276	L	66.6	Low	63.7	Low	88 Å²	88	96.4 Å²	96.4	46%	0.461	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-43.8	174.9	-81.1	166.6	0	0	0	111.7	T272 W273 K279 I280	T272-L276 HydrophobicContact CG2-CD1 4.4Å; T272-L276 WeakPolarHBondContact O-CB 3.29Å; T272-L276 WeakPolarHBondContact O-CG 3.44Å; T272-L276 PolarHBondContact O-N 2.79Å; W273-L276 PolarHBondContact O-N 3.14Å; L276-K279 PolarHBondContact O-N 3.01Å; L276-I280 WeakPolarHBondContact O-CB 3.33Å; L276-I280 VanDerWaalsContact O-CG1 3.27Å; L276-I280 WeakPolarHBondContact O-CG1 3.14Å; L276-I280 PolarHBondContact O-N 3.12Å
277	L	64.1	Low	62.7	Low	56 Å²	56	97.5 Å²	97.5	29%	0.293	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-46.8	177.2	-164.1	81.4	0	0	0	111.1	W273 N274 K279 I280 I281	W273-L277 WeakPolarHBondContact O-CB 3.44Å; W273-L277 PolarHBondContact O-N 2.78Å; N274-L277 PolarHBondContact O-N 3.27Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 3.28Å; L277-I280 PolarHBondContact O-N 2.93Å; L277-I281 HydrophobicContact CD2-CD1 4.37Å; L277-I281 HydrophobicContact CG-CD1 4.01Å; L277-I281 WeakPolarHBondContact O-CB 3.39Å; L277-I281 VanDerWaalsContact O-CG1 3.24Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.41Å
278	E	70.7	Confident	61.7	Low	99 Å²	99	92.1 Å²	92.1	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-61.4	-41.9	176.1	-168	-167	147.8	0	0	111.6	N274 Y275 I281 K282	N274-E278 WeakPolarHBondContact O-CB 3.42Å; N274-E278 PolarHBondContact O-N 3.28Å; Y275-E278 PolarHBondContact O-N 2.89Å; E278-I281 PolarHBondContact O-N 2.91Å; E278-K282 HydrophobicContact CG-CD 4.24Å; E278-K282 WeakPolarHBondContact O-CB 3.47Å; E278-K282 WeakPolarHBondContact O-CG 3.48Å; E278-K282 PolarHBondContact O-N 3.18Å; E278-K282 VanDerWaalsContact OE1-CE 3.31Å; E278-K282 WeakPolarHBondContact OE1-CE 3.47Å; E278-K282 IonicContact OE1-NZ 4Å; E278-K282 PolarHBondContact OE1-NZ 3.34Å
279	K	71.7	Confident	60.8	Low	125 Å²	125	93.9 Å²	93.9	54%	0.543	46%	0.455	S	S	.	.	H	α-helix	trans	-69	-37.8	179.6	-158.7	176.4	-173.8	-177.3	0	112.4	Y275 L276 L277 S283	Y275-K279 WeakPolarHBondContact O-CB 3.48Å; Y275-K279 PolarHBondContact O-N 2.81Å; L276-K279 PolarHBondContact O-N 3.01Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 3.28Å; K279-S283 WeakPolarHBondContact O-CB 3.28Å; K279-S283 PolarHBondContact O-N 3.42Å
280	I	62.8	Low	60.1	Low	88 Å²	88	94.3 Å²	94.3	45%	0.451	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-47.2	173	-69.8	164.2	0	0	0	110.2	L276 L277 K282 S283 Q284	L276-I280 WeakPolarHBondContact O-CB 3.33Å; L276-I280 VanDerWaalsContact O-CG1 3.27Å; L276-I280 WeakPolarHBondContact O-CG1 3.14Å; L276-I280 PolarHBondContact O-N 3.12Å; L277-I280 PolarHBondContact O-N 2.93Å; I280-K282 PolarHBondContact O-N 2.81Å; I280-S283 WeakPolarHBondContact O-CB 3.46Å; I280-S283 PolarHBondContact O-N 2.98Å; I280-Q284 WeakPolarHBondContact O-CG 3.47Å; I280-Q284 PolarHBondContact O-N 3.22Å
281	I	62.8	Low	59.2	Low	80 Å²	80	97.5 Å²	97.5	41%	0.41	48%	0.48	S	S	.	.	H	α-helix	trans	-60.8	-46.3	177.8	-71.2	167	0	0	0	110.8	L277 E278 S283 Q284 I285	L277-I281 HydrophobicContact CD2-CD1 4.37Å; L277-I281 HydrophobicContact CG-CD1 4.01Å; L277-I281 WeakPolarHBondContact O-CB 3.39Å; L277-I281 VanDerWaalsContact O-CG1 3.24Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.41Å; E278-I281 PolarHBondContact O-N 2.91Å; I281-S283 PolarHBondContact O-N 3.43Å; I281-Q284 PolarHBondContact O-N 3.28Å; I281-I285 HydrophobicContact CG2-CD1 3.61Å; I281-I285 HydrophobicContact CG2-CG1 4.37Å; I281-I285 WeakPolarHBondContact O-CB 3.35Å; I281-I285 VanDerWaalsContact O-CG1 3.3Å; I281-I285 WeakPolarHBondContact O-CG1 3.46Å; I281-I285 PolarHBondContact O-N 3Å
282	K	67.8	Low	57.7	Low	117 Å²	117	95.7 Å²	95.7	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-62.7	-39	175.4	-78.6	176.8	169.6	172.9	0	112.7	E278 I280 N286	E278-K282 HydrophobicContact CG-CD 4.24Å; E278-K282 WeakPolarHBondContact O-CB 3.47Å; E278-K282 WeakPolarHBondContact O-CG 3.48Å; E278-K282 PolarHBondContact O-N 3.18Å; E278-K282 VanDerWaalsContact OE1-CE 3.31Å; E278-K282 WeakPolarHBondContact OE1-CE 3.47Å; E278-K282 IonicContact OE1-NZ 4Å; E278-K282 PolarHBondContact OE1-NZ 3.34Å; I280-K282 PolarHBondContact O-N 2.81Å; K282-N286 WeakPolarHBondContact O-CB 3.26Å; K282-N286 PolarHBondContact O-N 2.93Å
283	S	64.7	Low	56.1	Low	71 Å²	71	97 Å²	97	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-61.5	-45.7	176	-166.8	0	0	0	0	111.8	K279 I280 I281 M287	K279-S283 WeakPolarHBondContact O-CB 3.28Å; K279-S283 PolarHBondContact O-N 3.42Å; I280-S283 WeakPolarHBondContact O-CB 3.46Å; I280-S283 PolarHBondContact O-N 2.98Å; I281-S283 PolarHBondContact O-N 3.43Å; S283-M287 PolarHBondContact O-N 3.14Å; S283-M287 VanDerWaalsContact O-N 3.14Å
284	Q	50	Low	54.8	Low	61 Å²	61	98.7 Å²	98.7	29%	0.285	50%	0.497	S	S	.	.	H	α-helix	trans	-71.7	-40.5	-179.6	-68	-64.2	-41.8	0	0	111.8	I280 I281 N286 M287 V288	I280-Q284 WeakPolarHBondContact O-CG 3.47Å; I280-Q284 PolarHBondContact O-N 3.22Å; I281-Q284 PolarHBondContact O-N 3.28Å; Q284-N286 VanDerWaalsContact C-N 3.34Å; Q284-N286 PolarHBondContact O-N 3.31Å; Q284-M287 PolarHBondContact O-N 2.85Å; Q284-V288 WeakPolarHBondContact O-CG2 3.43Å; Q284-V288 PolarHBondContact O-N 3.4Å
285	I	57.7	Low	52.9	Low	95 Å²	95	102.6 Å²	102.6	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-62.6	-39.3	174.5	-71	173.1	0	0	0	111.5	I281 V288 K289	I281-I285 HydrophobicContact CG2-CD1 3.61Å; I281-I285 HydrophobicContact CG2-CG1 4.37Å; I281-I285 WeakPolarHBondContact O-CB 3.35Å; I281-I285 VanDerWaalsContact O-CG1 3.3Å; I281-I285 WeakPolarHBondContact O-CG1 3.46Å; I281-I285 PolarHBondContact O-N 3Å; I285-V288 PolarHBondContact O-N 2.93Å; I285-K289 WeakPolarHBondContact O-CB 3.37Å; I285-K289 PolarHBondContact O-N 3.22Å
286	N	51.8	Low	51	Low	91 Å²	91	102 Å²	102	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-67.3	-35.3	175	-80.8	16	0	0	0	112.6	K282 Q284 K289 N290	K282-N286 WeakPolarHBondContact O-CB 3.26Å; K282-N286 PolarHBondContact O-N 2.93Å; Q284-N286 VanDerWaalsContact C-N 3.34Å; Q284-N286 PolarHBondContact O-N 3.31Å; N286-K289 PolarHBondContact O-N 3.15Å; N286-N290 VanDerWaalsContact O-CB 3.3Å; N286-N290 WeakPolarHBondContact O-CB 3.34Å; N286-N290 PolarHBondContact O-N 2.91Å; N286-N290 PolarHBondContact O-OD1 3.04Å
287	M	44.4	Very low	49.1	Very low	93 Å²	93	103.3 Å²	103.3	46%	0.458	55%	0.545	S	S	.	.	H	α-helix	trans	-62.2	-43.9	171.6	-106.6	-178.7	76.1	0	0	111.9	S283 Q284 N291	S283-M287 PolarHBondContact O-N 3.14Å; S283-M287 VanDerWaalsContact O-N 3.14Å; Q284-M287 PolarHBondContact O-N 2.85Å; M287-N291 PolarHBondContact O-N 3.36Å; M287-N291 PolarHBondContact O-ND2 2.92Å
288	V	41.8	Very low	47.5	Very low	72 Å²	72	106.5 Å²	106.5	44%	0.436	57%	0.572	S	S	.	*	H	α-helix	trans	-65.9	-42.8	177.3	173.7	0	0	0	0	111.3	Q284 I285 N291 L292	Q284-V288 WeakPolarHBondContact O-CG2 3.43Å; Q284-V288 PolarHBondContact O-N 3.4Å; I285-V288 PolarHBondContact O-N 2.93Å; V288-N291 PolarHBondContact O-N 3.39Å; V288-L292 HydrophobicContact CG1-CD1 4.01Å; V288-L292 PolarHBondContact O-N 2.82Å
289	K	44.6	Very low	45.3	Very low	116 Å²	116	108.7 Å²	108.7	50%	0.504	59%	0.587	S	S	.	*	H	α-helix	trans	-65.7	-47.1	177.8	-100.6	-163.3	160.2	-134.2	0	113.4	I285 N286 N291 L292 D293	I285-K289 WeakPolarHBondContact O-CB 3.37Å; I285-K289 PolarHBondContact O-N 3.22Å; N286-K289 PolarHBondContact O-N 3.15Å; K289-N291 PolarHBondContact O-N 3.27Å; K289-N291 VanDerWaalsContact O-N 3.13Å; K289-L292 PolarHBondContact O-N 3.04Å; K289-D293 PolarHBondContact O-N 2.89Å
290	N	43.7	Very low	43.3	Very low	103 Å²	103	108.7 Å²	108.7	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-63.8	-21.3	-178	-69.7	7.2	0	0	0	112.7	N286 L294	N286-N290 VanDerWaalsContact O-CB 3.3Å; N286-N290 WeakPolarHBondContact O-CB 3.34Å; N286-N290 PolarHBondContact O-N 2.91Å; N286-N290 PolarHBondContact O-OD1 3.04Å; N290-L294 WeakPolarHBondContact O-CD1 3.39Å
291	N	39.5	Very low	41.6	Very low	128 Å²	128	109.9 Å²	109.9	68%	0.684	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-2.7	173.2	-68.9	-14	0	0	0	114.1	M287 V288 K289	M287-N291 PolarHBondContact O-N 3.36Å; M287-N291 PolarHBondContact O-ND2 2.92Å; V288-N291 PolarHBondContact O-N 3.39Å; K289-N291 PolarHBondContact O-N 3.27Å; K289-N291 VanDerWaalsContact O-N 3.13Å
292	L	39.4	Very low	40	Very low	127 Å²	127	111.8 Å²	111.8	67%	0.665	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-28.3	179	-98.8	155.7	0	0	0	112.8	V288 K289 L294	V288-L292 HydrophobicContact CG1-CD1 4.01Å; V288-L292 PolarHBondContact O-N 2.82Å; K289-L292 PolarHBondContact O-N 3.04Å; L292-L294 PolarHBondContact O-N 2.85Å
293	D	36.4	Very low	37.9	Very low	107 Å²	107	111.7 Å²	111.7	57%	0.572	63%	0.634	S	S	*	*	S	Bend	trans	-83.9	12	177.4	-68.2	-39.5	0	0	0	112.9	K289	K289-D293 PolarHBondContact O-N 2.89Å
294	L	33.4	Very low	36.2	Very low	143 Å²	143	115.3 Å²	115.3	75%	0.749	65%	0.646	S	S	*	*	S	Bend	trans	-116.5	36.5	-177.1	-86	177.5	0	0	0	114.8	N290 L292	N290-L294 WeakPolarHBondContact O-CD1 3.39Å; L292-L294 PolarHBondContact O-N 2.85Å
295	D	29.2	Very low	35.1	Very low	159 Å²	159	117 Å²	117	85%	0.85	67%	0.665	S	S	*	*	S	Bend	trans	-152.2	27.1	163.8	-121.5	-16	0	0	0	114.4
296	V	26.9	Very low	33.6	Very low	124 Å²	124	117.3 Å²	117.3	75%	0.752	68%	0.675	S	S	*	*			trans	-139.3	77.2	177.7	-170.1	0	0	0	0	111.6
297	S	28	Very low	32.5	Very low	114 Å²	114	119.9 Å²	119.9	80%	0.797	69%	0.687	S	S	*	*			trans	-152.4	54.2	177	53.9	0	0	0	0	116.1
298	S	29.8	Very low	31.8	Very low	123 Å²	123	123 Å²	123	86%	0.86	71%	0.706	S	S	*	*			trans	-133.6	57.4	162.4	50.6	0	0	0	0	112.3
299	N	25.6	Very low	31.2	Very low	145 Å²	145	124.9 Å²	124.9	78%	0.775	72%	0.722	S	S	*	*			trans	-70.9	126.7	167.3	-69.2	-39.7	0	0	0	110.9
300	T	28.4	Very low	30.5	Very low	126 Å²	126	124.4 Å²	124.4	77%	0.773	73%	0.734	S	S	*	*			trans	-176.2	93	143.9	30.3	0	0	0	0	107.4
301	T	27.5	Very low	29.8	Very low	112 Å²	112	124.3 Å²	124.3	69%	0.687	74%	0.741	S	S	*	*				80.1	140.1	84.3	54.5	0	0	0	0	114.6
302	T	28.8	Very low	29.2	Very low	121 Å²	121	123.4 Å²	123.4	74%	0.742	75%	0.745	S	S	*	*			trans	58.3	132.8	150	49.2	0	0	0	0	119.8
303	T	24.7	Very low	28.8	Very low	114 Å²	114	122.1 Å²	122.1	70%	0.699	75%	0.747	S	S	*	*			cis	179.9	179.5	-18.7	9.2	0	0	0	0	107.1
304	I	27.7	Very low	28.4	Very low	148 Å²	148	122.2 Å²	122.2	76%	0.759	76%	0.755	S	S	*	*			trans	83.5	115.1	153	-71.4	146.5	0	0	0	119
305	S	27.2	Very low	28.3	Very low	97 Å²	97	122.4 Å²	122.4	68%	0.678	76%	0.756	S	S	*	*			trans	66.5	114.9	145.1	72.7	0	0	0	0	123.9
306	S	27.3	Very low	28.2	Very low	100 Å²	100	120.3 Å²	120.3	70%	0.699	75%	0.745	S	S	*	*				65.9	120.1	123.1	70.2	0	0	0	0	121.7
307	I	29.1	Very low	28.3	Very low	145 Å²	145	122 Å²	122	74%	0.744	74%	0.742	S	S	*	*				176.3	127.5	103.1	-87.9	158.2	0	0	0	108.8
308	N	28.8	Very low	28.4	Very low	158 Å²	158	125.6 Å²	125.6	85%	0.845	74%	0.743	S	S	*	*			trans	56.1	139.4	168.6	-56.3	-16.3	0	0	0	118.3
309	S	29.4	Very low	28.3	Very low	112 Å²	112	123.6 Å²	123.6	78%	0.783	74%	0.742	S	S	*	*			cis	-138.1	165.1	10.3	52.9	0	0	0	0	113.9
310	S	29.2	Very low	28.4	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	75%	0.749	S	S	*	*			trans	-62.7	158.4	172.2	44	0	0	0	0	114.2
311	S	29.7	Very low	28.6	Very low	100 Å²	100	130 Å²	130	70%	0.699	75%	0.753	S	S	*	*			cis	-166.1	140.7	-1.4	37.1	0	0	0	0	113
312	S	27.8	Very low	28.7	Very low	110 Å²	110	131 Å²	131	77%	0.769	75%	0.754	S	S	*	*			trans	5.4	148.2	137.7	53.6	0	0	0	0	120.5
313	S	29.2	Very low	28.7	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	75%	0.751	S	S	*	*			cis	-166.9	153	16.9	39.3	0	0	0	0	115.7
314	S	29.9	Very low	28.9	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	75%	0.753	S	S	*	*			trans	72.1	152.1	147.8	80.8	0	0	0	0	117.5
315	I	29.5	Very low	29.2	Very low	147 Å²	147	130.8 Å²	130.8	75%	0.754	75%	0.745	S	S	*	*			cis	-133.4	149.7	10.7	-74.2	177.4	0	0	0	110.6
316	D	28.1	Very low	29.4	Very low	116 Å²	116	134 Å²	134	62%	0.62	76%	0.755	S	S	*	*			trans	5.4	152.1	154	-74.1	-29.1	0	0	0	122.2
317	K	28	Very low	29.7	Very low	159 Å²	159	136.6 Å²	136.6	69%	0.691	76%	0.759	S	S	*	*			cis	-163.1	155.1	12.3	-122.7	152.5	-166.7	140.3	0	112.3
318	K	30	Very low	30	Very low	190 Å²	190	140.5 Å²	140.5	83%	0.826	77%	0.765	S	S	*	*			trans	57.9	93.8	158.4	-63	-178.1	179.4	-176.9	0	118.2
319	G	28.8	Very low	30.2	Very low	81 Å²	81	139.9 Å²	139.9	84%	0.835	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-75.7	138.9	162.4	0	0	0	0	0	113
320	F	27.5	Very low	30.4	Very low	210 Å²	210	137 Å²	137	92%	0.921	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-70.5	142.8	167.9	-88.9	-116.4	0	0	0	110.3
321	K	32.2	Very low	30.9	Very low	196 Å²	196	134.1 Å²	134.1	85%	0.852	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-103.7	133.6	163.7	-83.1	-169.4	172.4	-174.4	0	109.6
322	N	30.1	Very low	31.3	Very low	132 Å²	132	136.4 Å²	136.4	71%	0.706	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-48.9	131	-168.1	-46.5	-11.9	0	0	0	114.8
323	N	28.7	Very low	32.1	Very low	130 Å²	130	137.2 Å²	137.2	70%	0.695	70%	0.702	S	S	*	*			trans	-101.4	110.3	151.7	-89.5	43.9	0	0	0	107.6	D325	N323-D325 WeakPolarHBondContact CB-OD2 3.48Å; N323-D325 PolarHBondContact ND2-OD2 2.9Å; N323-D325 PolarHBondContact O-N 2.88Å; N323-D325 VanDerWaalsContact O-N 3.13Å
324	D	29.7	Very low	32.7	Very low	138 Å²	138	136.1 Å²	136.1	74%	0.738	69%	0.686	S	S	*	*			trans	-84.7	63.3	166	-79	-49.9	0	0	0	109.8
325	D	33.6	Very low	33	Very low	111 Å²	111	135.4 Å²	135.4	59%	0.594	67%	0.673	S	S	*	*			trans	-76.5	135.2	173.3	-81.2	-55.2	0	0	0	110.7	N323 I327	N323-D325 WeakPolarHBondContact CB-OD2 3.48Å; N323-D325 PolarHBondContact ND2-OD2 2.9Å; N323-D325 PolarHBondContact O-N 2.88Å; N323-D325 VanDerWaalsContact O-N 3.13Å; D325-I327 PolarHBondContact O-N 2.94Å
326	N	31.3	Very low	33.8	Very low	164 Å²	164	132.4 Å²	132.4	88%	0.877	66%	0.657	S	S	*	*			trans	-58.8	94.7	-170.2	-76.3	-84.3	0	0	0	114	R328	N326-R328 PolarHBondContact O-N 2.98Å
327	I	33.7	Very low	34.6	Very low	154 Å²	154	131 Å²	131	79%	0.79	66%	0.662	S	S	*	*			trans	-69.8	91.5	173.6	-55	-178.5	0	0	0	109.7	D325 K329	D325-I327 PolarHBondContact O-N 2.94Å; I327-K329 PolarHBondContact O-N 3.19Å
328	R	35.9	Very low	35.1	Very low	227 Å²	227	130.1 Å²	130.1	86%	0.857	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-62.3	125.2	173.9	-168.1	179.8	-170.5	-176.6	2.8	109.7	N326	N326-R328 PolarHBondContact O-N 2.98Å
329	K	33.1	Very low	35.5	Very low	146 Å²	146	123 Å²	123	64%	0.635	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-53.6	125.8	171.9	-171	-177.9	-164.7	165.1	0	108.9	I327 S331 M435	I327-K329 PolarHBondContact O-N 3.19Å; K329-S331 PolarHBondContact O-N 2.71Å; K329-M435 HydrophobicContact CD-CE 3.9Å; K329-M435 HydrophobicContact CD-SD 3.6Å; K329-M435 VanDerWaalsContact CD-SD 3.6Å; K329-M435 HydrophobicContact CG-SD 4.37Å; K329-M435 PolarHBondContact NZ-SD 3.11Å
330	P	31.7	Very low	35.9	Very low	50 Å²	50	121.7 Å²	121.7	33%	0.325	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-63.1	138.3	-179	26.7	-34.9	0	0	0	109.7	E334 L335	P330-E334 WeakPolarHBondContact CA-OE2 3.34Å; P330-E334 HydrophobicContact CB-CB 4.28Å; P330-E334 HydrophobicContact CB-CG 4.41Å; P330-L335 HydrophobicContact CB-CD2 4.33Å; P330-L335 HydrophobicContact CB-CG 4.22Å; P330-L335 HydrophobicContact CG-CD2 3.96Å; P330-L335 HydrophobicContact CG-CG 4.16Å
331	S	40.5	Very low	36.6	Very low	48 Å²	48	117.1 Å²	117.1	34%	0.336	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-70.6	167.1	-178.2	89.5	0	0	0	0	111.5	K329 E333 E334 L335	K329-S331 PolarHBondContact O-N 2.71Å; S331-E333 WeakPolarHBondContact CB-OE2 3.23Å; S331-E333 PolarHBondContact O-N 2.67Å; S331-E333 PolarHBondContact OG-N 3.24Å; S331-E333 PolarHBondContact OG-OE2 3.42Å; S331-E334 PolarHBondContact O-N 3.28Å; S331-E334 VanDerWaalsContact O-N 3.13Å; S331-E334 PolarHBondContact OG-N 2.89Å; S331-L335 WeakPolarHBondContact O-CG 3.47Å; S331-L335 PolarHBondContact O-N 3.32Å
332	K	38.3	Very low	37.1	Very low	148 Å²	148	111.4 Å²	111.4	64%	0.643	57%	0.566	S	S	*	*	H	α-helix	trans	-59.4	-37.8	175.2	-174.4	179.6	-178.6	179.5	0	110.8	I336	K332-I336 HydrophobicContact CG-CD1 4.04Å; K332-I336 WeakPolarHBondContact O-CB 3.4Å; K332-I336 WeakPolarHBondContact O-CD1 3.23Å; K332-I336 WeakPolarHBondContact O-CG1 3.39Å; K332-I336 PolarHBondContact O-N 3.43Å
333	E	44.3	Very low	37.4	Very low	126 Å²	126	107.2 Å²	107.2	59%	0.589	54%	0.543	S	S	*	.	H	α-helix	trans	-68.7	-40.5	175.8	-52.4	65.1	-133.4	0	0	110.9	S331 I336 A337	S331-E333 WeakPolarHBondContact CB-OE2 3.23Å; S331-E333 PolarHBondContact O-N 2.67Å; S331-E333 PolarHBondContact OG-N 3.24Å; S331-E333 PolarHBondContact OG-OE2 3.42Å; E333-I336 PolarHBondContact O-N 3.47Å; E333-A337 WeakPolarHBondContact O-CB 3.13Å; E333-A337 PolarHBondContact O-N 2.87Å
334	E	42.4	Very low	38	Very low	77 Å²	77	103.7 Å²	103.7	36%	0.36	52%	0.522	S	S	.	.	H	α-helix	trans	-68.2	-39.9	178.1	-159.3	-167.2	146.2	0	0	112	P330 S331 A337 K338	P330-E334 WeakPolarHBondContact CA-OE2 3.34Å; P330-E334 HydrophobicContact CB-CB 4.28Å; P330-E334 HydrophobicContact CB-CG 4.41Å; S331-E334 PolarHBondContact O-N 3.28Å; S331-E334 VanDerWaalsContact O-N 3.13Å; S331-E334 PolarHBondContact OG-N 2.89Å; E334-A337 PolarHBondContact O-N 3.18Å; E334-K338 HydrophobicContact CG-CD 4.38Å; E334-K338 WeakPolarHBondContact O-CB 3.43Å; E334-K338 VanDerWaalsContact O-CG 3.31Å; E334-K338 WeakPolarHBondContact O-CG 3.33Å; E334-K338 PolarHBondContact O-N 3.06Å; E334-K338 WeakPolarHBondContact OE1-CE 3.1Å; E334-K338 IonicContact OE1-NZ 2.67Å; E334-K338 PolarHBondContact OE1-NZ 3.16Å
335	L	36.7	Very low	38.6	Very low	94 Å²	94	102.3 Å²	102.3	49%	0.492	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-44.9	171.5	-72.5	169.9	0	0	0	111.3	P330 S331 K338 T339	P330-L335 HydrophobicContact CB-CD2 4.33Å; P330-L335 HydrophobicContact CB-CG 4.22Å; P330-L335 HydrophobicContact CG-CD2 3.96Å; P330-L335 HydrophobicContact CG-CG 4.16Å; S331-L335 WeakPolarHBondContact O-CG 3.47Å; S331-L335 PolarHBondContact O-N 3.32Å; L335-K338 CarbonylContact O-C 3.53Å; L335-K338 PolarHBondContact O-N 3.33Å; L335-T339 WeakPolarHBondContact O-CB 3.48Å; L335-T339 PolarHBondContact O-N 3.41Å; L335-T339 PolarHBondContact O-OG1 3.44Å
336	I	45.6	Very low	39	Very low	83 Å²	83	97.8 Å²	97.8	43%	0.426	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-38.5	176.5	-71.6	166.8	0	0	0	111.4	K332 E333 T339	K332-I336 HydrophobicContact CG-CD1 4.04Å; K332-I336 WeakPolarHBondContact O-CB 3.4Å; K332-I336 WeakPolarHBondContact O-CD1 3.23Å; K332-I336 WeakPolarHBondContact O-CG1 3.39Å; K332-I336 PolarHBondContact O-N 3.43Å; E333-I336 PolarHBondContact O-N 3.47Å; I336-T339 PolarHBondContact O-N 3.12Å
337	A	45	Very low	39.4	Very low	87 Å²	87	93.8 Å²	93.8	72%	0.719	46%	0.461	S	S	*	.	H	α-helix	trans	-69	-33.2	176.4	0	0	0	0	0	112.7	E333 E334	E333-A337 WeakPolarHBondContact O-CB 3.13Å; E333-A337 PolarHBondContact O-N 2.87Å; E334-A337 PolarHBondContact O-N 3.18Å
338	K	38.5	Very low	39.9	Very low	141 Å²	141	91.2 Å²	91.2	61%	0.613	45%	0.445	S	S	*	.	H	α-helix	trans	-77.7	-19.6	172	-74.3	170.2	173.1	173.4	0	113	E334 L335 P340	E334-K338 HydrophobicContact CG-CD 4.38Å; E334-K338 WeakPolarHBondContact O-CB 3.43Å; E334-K338 VanDerWaalsContact O-CG 3.31Å; E334-K338 WeakPolarHBondContact O-CG 3.33Å; E334-K338 PolarHBondContact O-N 3.06Å; E334-K338 WeakPolarHBondContact OE1-CE 3.1Å; E334-K338 IonicContact OE1-NZ 2.67Å; E334-K338 PolarHBondContact OE1-NZ 3.16Å; L335-K338 CarbonylContact O-C 3.53Å; L335-K338 PolarHBondContact O-N 3.33Å; K338-P340 VanDerWaalsContact O-CD 3.28Å; K338-P340 WeakPolarHBondContact O-CD 3.27Å
339	T	38.7	Very low	40.2	Very low	41 Å²	41	86.1 Å²	86.1	25%	0.252	43%	0.426	S	S	.	.	S	Bend	trans	-84.8	110.8	179.5	-58.1	0	0	0	0	111	L335 I336 M343 F344	L335-T339 WeakPolarHBondContact O-CB 3.48Å; L335-T339 PolarHBondContact O-N 3.41Å; L335-T339 PolarHBondContact O-OG1 3.44Å; I336-T339 PolarHBondContact O-N 3.12Å; T339-M343 HydrophobicContact CG2-CB 4.24Å; T339-M343 HydrophobicContact CG2-CE 3.85Å; T339-M343 HydrophobicContact CG2-SD 3.76Å; T339-F344 HydrophobicContact CG2-CD2 4.28Å; T339-F344 HydrophobicContact CG2-CE1 4.44Å; T339-F344 HydrophobicContact CG2-CE2 3.47Å; T339-F344 VanDerWaalsContact CG2-CE2 3.47Å; T339-F344 HydrophobicContact CG2-CZ 3.57Å
340	P	37.1	Very low	40.6	Very low	53 Å²	53	80.3 Å²	80.3	34%	0.344	40%	0.401	S	S	.	.			trans	-67.3	141.1	-172.3	-26.1	39.3	0	0	0	113.9	K338 Y342 M343	K338-P340 VanDerWaalsContact O-CD 3.28Å; K338-P340 WeakPolarHBondContact O-CD 3.27Å; P340-Y342 HydrophobicContact CB-CD1 3.84Å; P340-Y342 HydrophobicContact CB-CE1 3.26Å; P340-Y342 HydrophobicContact CB-CE2 4.41Å; P340-Y342 HydrophobicContact CG-CE1 4.04Å; P340-Y342 WeakPolarHBondContact CG-OH 3.41Å; P340-Y342 PolarHBondContact O-N 3.21Å; P340-M343 WeakPolarHBondContact O-CB 3.42Å; P340-M343 PolarHBondContact O-N 3.27Å
341	N	41.4	Very low	41.1	Very low	114 Å²	114	82 Å²	82	61%	0.61	41%	0.406	S	S	*	.	H	α-helix	trans	-61.1	-13.6	-170.3	-140.7	-13.6	0	0	0	115.3
342	Y	43.7	Very low	41.1	Very low	76 Å²	76	84.4 Å²	84.4	30%	0.298	42%	0.415	S	S	.	.	H	α-helix	trans	-77.1	-25.3	171.6	64.1	-104.2	0	0	0	112.9	P340 K345 L346 V468	P340-Y342 HydrophobicContact CB-CD1 3.84Å; P340-Y342 HydrophobicContact CB-CE1 3.26Å; P340-Y342 HydrophobicContact CB-CE2 4.41Å; P340-Y342 HydrophobicContact CG-CE1 4.04Å; P340-Y342 WeakPolarHBondContact CG-OH 3.41Å; P340-Y342 PolarHBondContact O-N 3.21Å; Y342-K345 PolarHBondContact O-N 2.84Å; Y342-L346 HydrophobicContact CD2-CD1 4.24Å; Y342-L346 WeakPolarHBondContact O-CB 3.48Å; Y342-L346 PolarHBondContact O-N 3.05Å; Y342-V468 HydrophobicContact CE2-CG1 3.39Å; Y342-V468 VanDerWaalsContact CZ-CG1 3.46Å; Y342-V468 WeakPolarHBondContact OH-CG1 3.45Å
343	M	35.4	Very low	41.1	Very low	43 Å²	43	80.2 Å²	80.2	21%	0.212	40%	0.4	C	S	.	.	H	α-helix	trans	-63.9	-47.9	178.1	-73.7	179.8	54	0	0	110.4	T339 P340 K345 L346 H347 A469	T339-M343 HydrophobicContact CG2-CB 4.24Å; T339-M343 HydrophobicContact CG2-CE 3.85Å; T339-M343 HydrophobicContact CG2-SD 3.76Å; P340-M343 WeakPolarHBondContact O-CB 3.42Å; P340-M343 PolarHBondContact O-N 3.27Å; M343-K345 VanDerWaalsContact C-N 3.33Å; M343-K345 PolarHBondContact O-N 3.25Å; M343-L346 PolarHBondContact O-N 3.26Å; M343-L346 VanDerWaalsContact O-N 3.15Å; M343-H347 PolarHBondContact O-N 3.33Å; M343-A469 HydrophobicContact CE-CB 3.58Å; M343-A469 HydrophobicContact CG-CB 4.03Å; M343-A469 HydrophobicContact SD-CB 3.87Å
344	F	42.5	Very low	40.7	Very low	56 Å²	56	77.6 Å²	77.6	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-60.8	-40.4	177.1	-66.2	-65.1	0	0	0	112.6	T339 H347 E348	T339-F344 HydrophobicContact CG2-CD2 4.28Å; T339-F344 HydrophobicContact CG2-CE1 4.44Å; T339-F344 HydrophobicContact CG2-CE2 3.47Å; T339-F344 VanDerWaalsContact CG2-CE2 3.47Å; T339-F344 HydrophobicContact CG2-CZ 3.57Å; F344-H347 PolarHBondContact O-N 3.36Å; F344-E348 WeakPolarHBondContact O-CB 3.34Å; F344-E348 PolarHBondContact O-N 2.95Å
345	K	41.6	Very low	40.3	Very low	109 Å²	109	83.3 Å²	83.3	47%	0.474	40%	0.404	S	S	.	.	H	α-helix	trans	-71.4	-29.9	174.8	-68.9	-175.2	177.8	-175	0	113.5	Y342 M343 R349	Y342-K345 PolarHBondContact O-N 2.84Å; M343-K345 VanDerWaalsContact C-N 3.33Å; M343-K345 PolarHBondContact O-N 3.25Å; K345-R349 WeakPolarHBondContact O-CB 3.4Å; K345-R349 PolarHBondContact O-N 3.01Å
346	L	41.1	Very low	40.1	Very low	17 Å²	17	81.8 Å²	81.8	9%	0.089	40%	0.401	C	S	.	.	H	α-helix	trans	-71.6	-39	171.5	-94.8	158.5	0	0	0	111.5	Y342 M343 R349 H350 I404 H649	Y342-L346 HydrophobicContact CD2-CD1 4.24Å; Y342-L346 WeakPolarHBondContact O-CB 3.48Å; Y342-L346 PolarHBondContact O-N 3.05Å; M343-L346 PolarHBondContact O-N 3.26Å; M343-L346 VanDerWaalsContact O-N 3.15Å; L346-R349 PolarHBondContact O-N 3.27Å; L346-H350 WeakPolarHBondContact O-CB 3.47Å; L346-H350 PolarHBondContact O-CD2 3.34Å; L346-H350 PolarHBondContact O-N 2.75Å; L346-I404 HydrophobicContact CD2-CD1 4.08Å; L346-I404 HydrophobicContact CD2-CG1 3.66Å; L346-H649 HydrophobicContact CD1-CB 4.26Å
347	H	41.2	Very low	39.3	Very low	79 Å²	79	82.5 Å²	82.5	37%	0.366	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-46.5	174.1	-176.1	68	0	0	0	111.8	M343 F344 R349 H350 M351	M343-H347 PolarHBondContact O-N 3.33Å; F344-H347 PolarHBondContact O-N 3.36Å; H347-R349 VanDerWaalsContact C-N 3.35Å; H347-R349 PolarHBondContact O-N 2.62Å; H347-H350 PolarHBondContact O-N 3.47Å; H347-M351 WeakPolarHBondContact O-CG 3.34Å; H347-M351 PolarHBondContact O-N 3.16Å
348	E	43.4	Very low	38.6	Very low	101 Å²	101	81.9 Å²	81.9	47%	0.472	40%	0.404	S	S	.	.	H	α-helix	trans	-60.2	-42	173.1	-178.3	-177.9	-151.7	0	0	112.1	F344 M351 N352	F344-E348 WeakPolarHBondContact O-CB 3.34Å; F344-E348 PolarHBondContact O-N 2.95Å; E348-M351 PolarHBondContact O-N 2.97Å; E348-N352 PolarHBondContact O-N 3.15Å; E348-N352 PolarHBondContact O-ND2 2.85Å
349	R	42.8	Very low	38.3	Very low	120 Å²	120	85.8 Å²	85.8	45%	0.453	41%	0.414	S	S	.	.	H	α-helix	trans	-67	-43.1	176.8	-170.6	175.8	-170.5	172.2	4.7	112.1	K345 L346 H347 N352 D353 G402	K345-R349 WeakPolarHBondContact O-CB 3.4Å; K345-R349 PolarHBondContact O-N 3.01Å; L346-R349 PolarHBondContact O-N 3.27Å; H347-R349 VanDerWaalsContact C-N 3.35Å; H347-R349 PolarHBondContact O-N 2.62Å; R349-N352 PolarHBondContact O-N 2.88Å; R349-D353 WeakPolarHBondContact O-CB 3.45Å; R349-D353 VanDerWaalsContact O-CG 3.26Å; R349-D353 PolarHBondContact O-N 2.92Å; R349-G402 PolarHBondContact NH1-O 3.34Å
350	H	41.5	Very low	38	Very low	24 Å²	24	89.9 Å²	89.9	11%	0.111	43%	0.426	C	S	.	.	H	α-helix	trans	-55.9	-51.6	170.7	-89.5	-119.2	0	0	0	110.1	L346 H347 N352 D353 W354 H649	L346-H350 WeakPolarHBondContact O-CB 3.47Å; L346-H350 PolarHBondContact O-CD2 3.34Å; L346-H350 PolarHBondContact O-N 2.75Å; H347-H350 PolarHBondContact O-N 3.47Å; H350-N352 VanDerWaalsContact C-N 3.29Å; H350-N352 PolarHBondContact O-N 2.92Å; H350-D353 PolarHBondContact O-N 3.22Å; H350-W354 WeakPolarHBondContact O-CB 3.41Å; H350-W354 PolarHBondContact O-N 3.43Å; H350-H649 AromaticContact NE2-CE1 3.63Å
351	M	40.9	Very low	37.7	Very low	85 Å²	85	96.1 Å²	96.1	42%	0.419	45%	0.451	S	S	.	.	H	α-helix	trans	-54.4	-41.7	177.9	-74.3	-70.4	-175.2	0	0	113.1	H347 E348 Y355	H347-M351 WeakPolarHBondContact O-CG 3.34Å; H347-M351 PolarHBondContact O-N 3.16Å; E348-M351 PolarHBondContact O-N 2.97Å; M351-Y355 WeakPolarHBondContact O-CB 3.32Å; M351-Y355 PolarHBondContact O-N 2.91Å
352	N	40.4	Very low	37	Very low	99 Å²	99	95.6 Å²	95.6	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-73.3	-44	178.8	-77.3	-78.2	0	0	0	113.6	E348 R349 H350 W354 Y355 S356	E348-N352 PolarHBondContact O-N 3.15Å; E348-N352 PolarHBondContact O-ND2 2.85Å; R349-N352 PolarHBondContact O-N 2.88Å; H350-N352 VanDerWaalsContact C-N 3.29Å; H350-N352 PolarHBondContact O-N 2.92Å; N352-W354 PolarHBondContact O-N 2.8Å; N352-Y355 PolarHBondContact O-N 3.04Å; N352-S356 PolarHBondContact O-OG 3.48Å
353	D	38.3	Very low	36.3	Very low	60 Å²	60	98.4 Å²	98.4	32%	0.321	48%	0.476	S	S	.	.	H	α-helix	trans	-61.6	-37.9	174.8	-66.7	-22.1	0	0	0	109.5	R349 H350 S356 F357	R349-D353 WeakPolarHBondContact O-CB 3.45Å; R349-D353 VanDerWaalsContact O-CG 3.26Å; R349-D353 PolarHBondContact O-N 2.92Å; H350-D353 PolarHBondContact O-N 3.22Å; D353-S356 VanDerWaalsContact O-CB 3.3Å; D353-S356 WeakPolarHBondContact O-CB 3.5Å; D353-S356 PolarHBondContact O-N 3.42Å; D353-F357 VanDerWaalsContact O-CD2 3.25Å; D353-F357 WeakPolarHBondContact O-CD2 3.27Å; D353-F357 PolarHBondContact O-N 3.13Å
354	W	37	Very low	36.1	Very low	71 Å²	71	104.8 Å²	104.8	27%	0.269	51%	0.505	S	S	.	.	H	α-helix	trans	-77.2	-30.5	179.6	-82.7	78.4	0	0	0	115.5	H350 N352 S356 F357 G358 H644	H350-W354 WeakPolarHBondContact O-CB 3.41Å; H350-W354 PolarHBondContact O-N 3.43Å; N352-W354 PolarHBondContact O-N 2.8Å; W354-S356 PolarHBondContact O-N 3.28Å; W354-F357 HydrophobicContact CD2-CB 4.49Å; W354-F357 HydrophobicContact CD2-CD2 4.38Å; W354-F357 HydrophobicContact CE3-CB 4.05Å; W354-F357 HydrophobicContact CZ3-CB 4.2Å; W354-F357 PolarHBondContact O-N 3.12Å; W354-G358 PolarHBondContact O-N 3.16Å; W354-H644 AromaticContact CH2-CD2 3.12Å; W354-H644 WeakPolarHBondContact CH2-CD2 3.44Å; W354-H644 AromaticContact CH2-NE2 3.36Å; W354-H644 WeakPolarHBondContact CH2-NE2 3.26Å; W354-H644 AromaticContact CZ2-CD2 3.07Å; W354-H644 WeakPolarHBondContact CZ2-CD2 3.35Å; W354-H644 AromaticContact CZ2-CE1 3.97Å; W354-H644 AromaticContact CZ2-CG 3.77Å; W354-H644 AromaticContact CZ2-NE2 3.22Å; W354-H644 WeakPolarHBondContact CZ2-NE2 3.3Å
355	Y	32.9	Very low	35.5	Very low	196 Å²	196	110.4 Å²	110.4	77%	0.769	54%	0.537	S	S	*	.	H	α-helix	trans	-63.2	-21.9	169.8	-159.5	-88.9	0	0	0	111.7	M351 N352	M351-Y355 WeakPolarHBondContact O-CB 3.32Å; M351-Y355 PolarHBondContact O-N 2.91Å; N352-Y355 PolarHBondContact O-N 3.04Å
356	S	32.2	Very low	34.9	Very low	62 Å²	62	109.1 Å²	109.1	43%	0.434	54%	0.535	S	S	.	.	H	α-helix	trans	-76.6	-44.2	168.5	-51.8	0	0	0	0	111.8	N352 D353 W354 G358 R359 Y360	N352-S356 PolarHBondContact O-OG 3.48Å; D353-S356 VanDerWaalsContact O-CB 3.3Å; D353-S356 WeakPolarHBondContact O-CB 3.5Å; D353-S356 PolarHBondContact O-N 3.42Å; W354-S356 PolarHBondContact O-N 3.28Å; S356-G358 PolarHBondContact O-N 2.99Å; S356-G358 VanDerWaalsContact O-N 3.08Å; S356-R359 PolarHBondContact O-N 3.4Å; S356-Y360 VanDerWaalsContact O-CD2 3.26Å; S356-Y360 WeakPolarHBondContact O-CD2 3.46Å; S356-Y360 WeakPolarHBondContact O-CE2 3.38Å
357	F	29.9	Very low	34.6	Very low	99 Å²	99	114.1 Å²	114.1	43%	0.434	56%	0.557	S	S	.	*	H	α-helix	trans	-58.9	-20.3	-177.4	-84.3	-70.9	0	0	0	115.2	D353 W354 R359 Y360	D353-F357 VanDerWaalsContact O-CD2 3.25Å; D353-F357 WeakPolarHBondContact O-CD2 3.27Å; D353-F357 PolarHBondContact O-N 3.13Å; W354-F357 HydrophobicContact CD2-CB 4.49Å; W354-F357 HydrophobicContact CD2-CD2 4.38Å; W354-F357 HydrophobicContact CE3-CB 4.05Å; W354-F357 HydrophobicContact CZ3-CB 4.2Å; W354-F357 PolarHBondContact O-N 3.12Å; F357-R359 PolarHBondContact O-N 3.37Å; F357-Y360 HydrophobicContact CD1-CD2 4.28Å; F357-Y360 HydrophobicContact CD1-CG 4.22Å; F357-Y360 PolarHBondContact O-N 2.88Å; F357-Y360 VanDerWaalsContact O-N 3.14Å
358	G	31	Very low	34.3	Very low	74 Å²	74	114 Å²	114	76%	0.763	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	12.1	171.6	0	0	0	0	0	116.4	W354 S356	W354-G358 PolarHBondContact O-N 3.16Å; S356-G358 PolarHBondContact O-N 2.99Å; S356-G358 VanDerWaalsContact O-N 3.08Å
359	R	31.3	Very low	34	Very low	223 Å²	223	114.2 Å²	114.2	84%	0.842	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	7.7	175	-64.1	-175.7	174.1	-165.4	-4.6	113.8	S356 F357	S356-R359 PolarHBondContact O-N 3.4Å; F357-R359 PolarHBondContact O-N 3.37Å
360	Y	33.1	Very low	33.8	Very low	127 Å²	127	114.3 Å²	114.3	50%	0.498	57%	0.569	S	S	.	*			trans	-109.1	73.2	-168.6	-70.8	-104.8	0	0	0	110.3	S356 F357	S356-Y360 VanDerWaalsContact O-CD2 3.26Å; S356-Y360 WeakPolarHBondContact O-CD2 3.46Å; S356-Y360 WeakPolarHBondContact O-CE2 3.38Å; F357-Y360 HydrophobicContact CD1-CD2 4.28Å; F357-Y360 HydrophobicContact CD1-CG 4.22Å; F357-Y360 PolarHBondContact O-N 2.88Å; F357-Y360 VanDerWaalsContact O-N 3.14Å
361	E	29.7	Very low	33.9	Very low	183 Å²	183	115.6 Å²	115.6	86%	0.855	58%	0.579	S	S	*	*			trans	-68.8	179.1	161.3	-67.1	-178.7	144.3	0	0	110.5
362	S	27.6	Very low	34.1	Very low	103 Å²	103	117.2 Å²	117.2	72%	0.72	58%	0.583	S	S	*	*	S	Bend	trans	-49.7	135.5	-164.8	47.7	0	0	0	0	116.2
363	N	27.5	Very low	34.1	Very low	135 Å²	135	118.5 Å²	118.5	72%	0.722	58%	0.582	S	S	*	*	S	Bend	trans	90.2	136.6	163.9	-47.8	-45.2	0	0	0	118.5
364	H	32.6	Very low	34.3	Very low	178 Å²	178	119.4 Å²	119.4	82%	0.824	59%	0.586	S	S	*	*			trans	68.5	103.9	171.2	-57.4	-70	0	0	0	119.4	L366	H364-L366 PolarHBondContact O-N 3.1Å
365	L	28.5	Very low	35	Very low	173 Å²	173	122.1 Å²	122.1	91%	0.906	61%	0.606	S	S	*	*			trans	-71.7	115.8	169.5	-74.7	156.5	0	0	0	112.3
366	L	30.9	Very low	35.7	Very low	83 Å²	83	118.1 Å²	118.1	44%	0.435	60%	0.598	S	S	.	*			trans	-133.5	123.5	159.7	-65.5	177.8	0	0	0	110.3	H364 Y370 V371 L374	H364-L366 PolarHBondContact O-N 3.1Å; L366-Y370 HydrophobicContact CB-CD1 4.48Å; L366-Y370 HydrophobicContact CD2-CD1 3.76Å; L366-Y370 HydrophobicContact CD2-CE1 3.75Å; L366-V371 HydrophobicContact CB-CG2 3.71Å; L366-L374 HydrophobicContact CD1-CD1 4.04Å
367	H	34.2	Very low	36	Very low	121 Å²	121	118.6 Å²	118.6	56%	0.56	60%	0.596	S	S	*	*			trans	-62	143.6	-179.1	-177.5	-93.1	0	0	0	111.4	D369 Y370 V371	H367-D369 VanDerWaalsContact C-N 3.34Å; H367-D369 IonicContact CE1-OD2 2.83Å; H367-D369 PolarHBondContact ND1-N 3.04Å; H367-D369 PolarHBondContact O-N 3.11Å; H367-Y370 CarbonylContact O-C 3.59Å; H367-Y370 WeakPolarHBondContact O-CA 3.32Å; H367-Y370 VanDerWaalsContact O-CB 3.27Å; H367-Y370 WeakPolarHBondContact O-CB 3.45Å; H367-Y370 PolarHBondContact O-N 3.33Å; H367-V371 PolarHBondContact O-N 2.93Å
368	P	34.1	Very low	36.2	Very low	77 Å²	77	119.8 Å²	119.8	50%	0.5	61%	0.613	S	S	.	*	H	α-helix	trans	-58.1	-37.5	-175.3	18.4	-31.7	0	0	0	114.5	Y370 K372	P368-Y370 VanDerWaalsContact C-N 3.28Å; P368-Y370 PolarHBondContact O-N 3.39Å; P368-K372 WeakPolarHBondContact O-CB 3.38Å; P368-K372 PolarHBondContact O-N 2.96Å
369	D	38.7	Very low	36.5	Very low	105 Å²	105	122.9 Å²	122.9	56%	0.561	61%	0.609	S	S	*	*	H	α-helix	trans	-69.6	-22.2	171.9	-74.6	-51.3	0	0	0	113.5	H367 Y373	H367-D369 VanDerWaalsContact C-N 3.34Å; H367-D369 IonicContact CE1-OD2 2.83Å; H367-D369 PolarHBondContact ND1-N 3.04Å; H367-D369 PolarHBondContact O-N 3.11Å; D369-Y373 WeakPolarHBondContact O-CB 3.36Å; D369-Y373 PolarHBondContact O-N 2.78Å
370	Y	38.4	Very low	36.7	Very low	122 Å²	122	116.8 Å²	116.8	48%	0.478	60%	0.597	S	S	.	*	H	α-helix	trans	-80.7	-42.4	174.3	-168.4	-86.6	0	0	0	111.2	L366 H367 P368 K372 Y373 L374	L366-Y370 HydrophobicContact CB-CD1 4.48Å; L366-Y370 HydrophobicContact CD2-CD1 3.76Å; L366-Y370 HydrophobicContact CD2-CE1 3.75Å; H367-Y370 CarbonylContact O-C 3.59Å; H367-Y370 WeakPolarHBondContact O-CA 3.32Å; H367-Y370 VanDerWaalsContact O-CB 3.27Å; H367-Y370 WeakPolarHBondContact O-CB 3.45Å; H367-Y370 PolarHBondContact O-N 3.33Å; P368-Y370 VanDerWaalsContact C-N 3.28Å; P368-Y370 PolarHBondContact O-N 3.39Å; Y370-K372 PolarHBondContact O-N 3.35Å; Y370-Y373 WeakPolarHBondContact O-CB 3.38Å; Y370-Y373 PolarHBondContact O-N 2.87Å; Y370-Y373 VanDerWaalsContact O-N 3.09Å; Y370-L374 HydrophobicContact CD1-CD1 3.83Å; Y370-L374 HydrophobicContact CD1-CG 4.09Å; Y370-L374 HydrophobicContact CE1-CD1 3.74Å; Y370-L374 HydrophobicContact CE1-CD2 4.24Å; Y370-L374 HydrophobicContact CE1-CG 3.96Å; Y370-L374 WeakPolarHBondContact O-CG 3.43Å; Y370-L374 PolarHBondContact O-N 3.4Å
371	V	42.5	Very low	36.6	Very low	52 Å²	52	116.7 Å²	116.7	32%	0.315	61%	0.61	S	S	.	*	H	α-helix	trans	-55.8	-39.5	168.2	174.8	0	0	0	0	110.2	L366 H367 N375	L366-V371 HydrophobicContact CB-CG2 3.71Å; H367-V371 PolarHBondContact O-N 2.93Å; V371-N375 WeakPolarHBondContact O-CB 3.44Å; V371-N375 PolarHBondContact O-N 3.28Å; V371-N375 PolarHBondContact O-ND2 3.13Å
372	K	44.7	Very low	37	Very low	119 Å²	119	113.9 Å²	113.9	52%	0.517	60%	0.601	S	S	.	*	H	α-helix	trans	-68.2	-42.6	173.6	-171.6	175.5	178	-177.9	0	113.1	P368 Y370 L374 N375 D376	P368-K372 WeakPolarHBondContact O-CB 3.38Å; P368-K372 PolarHBondContact O-N 2.96Å; Y370-K372 PolarHBondContact O-N 3.35Å; K372-L374 VanDerWaalsContact C-N 3.33Å; K372-L374 PolarHBondContact O-N 3.33Å; K372-N375 PolarHBondContact O-N 3.32Å; K372-D376 WeakPolarHBondContact O-CB 3.33Å; K372-D376 PolarHBondContact O-N 3.46Å
373	Y	41.6	Very low	37.3	Very low	126 Å²	126	114.3 Å²	114.3	49%	0.494	60%	0.595	S	S	.	*	H	α-helix	trans	-59.6	-40.6	175	175.8	-104.8	0	0	0	112.6	D369 Y370 N377	D369-Y373 WeakPolarHBondContact O-CB 3.36Å; D369-Y373 PolarHBondContact O-N 2.78Å; Y370-Y373 WeakPolarHBondContact O-CB 3.38Å; Y370-Y373 PolarHBondContact O-N 2.87Å; Y370-Y373 VanDerWaalsContact O-N 3.09Å; Y373-N377 WeakPolarHBondContact O-CB 3.29Å; Y373-N377 PolarHBondContact O-N 2.96Å; Y373-N377 PolarHBondContact O-ND2 3.37Å
374	L	43.1	Very low	37.4	Very low	79 Å²	79	115.6 Å²	115.6	41%	0.414	60%	0.6	S	S	.	*	H	α-helix	trans	-64.2	-47	172.6	-69.5	171.6	0	0	0	112	L366 Y370 K372 D376 N377	L366-L374 HydrophobicContact CD1-CD1 4.04Å; Y370-L374 HydrophobicContact CD1-CD1 3.83Å; Y370-L374 HydrophobicContact CD1-CG 4.09Å; Y370-L374 HydrophobicContact CE1-CD1 3.74Å; Y370-L374 HydrophobicContact CE1-CD2 4.24Å; Y370-L374 HydrophobicContact CE1-CG 3.96Å; Y370-L374 WeakPolarHBondContact O-CG 3.43Å; Y370-L374 PolarHBondContact O-N 3.4Å; K372-L374 VanDerWaalsContact C-N 3.33Å; K372-L374 PolarHBondContact O-N 3.33Å; L374-D376 VanDerWaalsContact C-N 3.31Å; L374-D376 PolarHBondContact O-N 2.57Å; L374-N377 CarbonylContact O-C 3.24Å; L374-N377 VanDerWaalsContact O-C 3.24Å; L374-N377 PolarHBondContact O-N 3.06Å
375	N	50.2	Low	37.5	Very low	128 Å²	128	115.6 Å²	115.6	68%	0.684	60%	0.601	S	S	*	*	H	α-helix	trans	-66.6	-30.8	178.8	-78.4	-58.9	0	0	0	113.3	V371 K372	V371-N375 WeakPolarHBondContact O-CB 3.44Å; V371-N375 PolarHBondContact O-N 3.28Å; V371-N375 PolarHBondContact O-ND2 3.13Å; K372-N375 PolarHBondContact O-N 3.32Å
376	D	47.6	Very low	37.6	Very low	112 Å²	112	114.4 Å²	114.4	60%	0.599	59%	0.594	S	S	*	*	H	α-helix	trans	-85.1	-11.3	175.8	-73	-29.5	0	0	0	112.5	K372 L374	K372-D376 WeakPolarHBondContact O-CB 3.33Å; K372-D376 PolarHBondContact O-N 3.46Å; L374-D376 VanDerWaalsContact C-N 3.31Å; L374-D376 PolarHBondContact O-N 2.57Å
377	N	37.9	Very low	37.6	Very low	72 Å²	72	120 Å²	120	39%	0.385	61%	0.611	S	S	.	*			trans	-142.5	88.6	179.7	-55.8	-91.9	0	0	0	112.4	Y373 L374 M379	Y373-N377 WeakPolarHBondContact O-CB 3.29Å; Y373-N377 PolarHBondContact O-N 2.96Å; Y373-N377 PolarHBondContact O-ND2 3.37Å; L374-N377 CarbonylContact O-C 3.24Å; L374-N377 VanDerWaalsContact O-C 3.24Å; L374-N377 PolarHBondContact O-N 3.06Å; N377-M379 PolarHBondContact O-N 3.33Å
378	P	35.1	Very low	37.3	Very low	124 Å²	124	124.3 Å²	124.3	81%	0.805	63%	0.628	S	S	*	*			trans	-70.3	99.2	171.3	29.1	-33.6	0	0	0	110.4
379	M	36.3	Very low	37.1	Very low	138 Å²	138	123.7 Å²	123.7	68%	0.68	64%	0.636	S	S	*	*			trans	-77.9	127	174.1	-81.8	-74.1	-176.8	0	0	111	N377	N377-M379 PolarHBondContact O-N 3.33Å
380	T	35.9	Very low	36.9	Very low	96 Å²	96	127.7 Å²	127.7	59%	0.589	65%	0.649	S	S	*	*			trans	-71	160.7	160.6	53.2	0	0	0	0	110.3	D382	T380-D382 PolarHBondContact O-N 3.31Å
381	T	32.3	Very low	36.4	Very low	125 Å²	125	131.9 Å²	131.9	77%	0.767	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-6.8	-162.6	35.2	0	0	0	0	116.7
382	D	37.3	Very low	35.9	Very low	123 Å²	123	137.1 Å²	137.1	66%	0.658	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	3.5	-149.3	-39.8	-39.9	0	0	0	114.8	T380	T380-D382 PolarHBondContact O-N 3.31Å
383	N	33.5	Very low	35	Very low	113 Å²	113	140.9 Å²	140.9	60%	0.604	71%	0.711	S	S	*	*			trans	-120.6	26.3	-163	-75.6	-74.2	0	0	0	116.1	E385	N383-E385 PolarHBondContact O-N 3.15Å
384	I	30.9	Very low	34.3	Very low	161 Å²	161	140.3 Å²	140.3	83%	0.826	72%	0.721	S	S	*	*	S	Bend	trans	-73.6	-22.8	-169.8	-75.8	176.9	0	0	0	115.1
385	E	32.8	Very low	33.5	Very low	179 Å²	179	144 Å²	144	84%	0.836	74%	0.736	S	S	*	*	S	Bend	trans	-98.6	-20.2	-167.5	-61.6	-155.8	109.5	0	0	117	N383 Y387	N383-E385 PolarHBondContact O-N 3.15Å; E385-Y387 PolarHBondContact O-N 3.17Å
386	L	32.2	Very low	32.5	Very low	147 Å²	147	146.4 Å²	146.4	77%	0.77	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	17	-155.9	-146.8	83.7	0	0	0	118
387	Y	29.2	Very low	31.6	Very low	202 Å²	202	147.9 Å²	147.9	79%	0.792	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	32.6	-179.3	-88.7	-77.8	0	0	0	116.9	E385 G389	E385-Y387 PolarHBondContact O-N 3.17Å; Y387-G389 PolarHBondContact O-N 3.09Å
388	K	29.4	Very low	31.2	Very low	210 Å²	210	156 Å²	156	91%	0.913	78%	0.775	S	S	*	*	S	Bend	trans	-68.9	79.8	158.2	-79.3	177.6	179.9	164.5	0	111.5
389	G	28.6	Very low	30.9	Very low	65 Å²	65	156.7 Å²	156.7	67%	0.67	77%	0.767	S	S	*	*			trans	106.4	98.3	157.3	0	0	0	0	0	117.2	Y387	Y387-G389 PolarHBondContact O-N 3.09Å
390	K	34.2	Very low	30.5	Very low	189 Å²	189	157 Å²	157	82%	0.822	76%	0.762	S	S	*	*			trans	-148.9	125	148.3	-109.3	154	-174.1	169.2	0	109.6	L392	K390-L392 PolarHBondContact O-N 2.75Å
391	K	29.2	Very low	30.2	Very low	209 Å²	209	158.1 Å²	158.1	91%	0.909	76%	0.764	S	S	*	*			trans	-77.9	109	178.6	-69	171.8	-179.2	167.2	0	109.3
392	L	31.4	Very low	30	Very low	162 Å²	162	153 Å²	153	85%	0.848	74%	0.736	S	S	*	*			trans	-108.3	118.4	163	-127.4	75.8	0	0	0	110.5	K390	K390-L392 PolarHBondContact O-N 2.75Å
393	K	27	Very low	29.6	Very low	199 Å²	199	154 Å²	154	87%	0.865	74%	0.739	S	S	*	*			trans	-94.6	116.5	170.3	-63.3	173.5	-179.8	175.4	0	108.5
394	T	26.4	Very low	29.5	Very low	114 Å²	114	152 Å²	152	70%	0.699	73%	0.727	S	S	*	*			trans	-165.8	148.6	152.3	16.1	0	0	0	0	112.4
395	H	26.1	Very low	29.5	Very low	157 Å²	157	147.3 Å²	147.3	73%	0.727	71%	0.706	S	S	*	*			trans	16.7	122.5	162	-58.1	-73.9	0	0	0	120.9
396	H	29.9	Very low	29.6	Very low	178 Å²	178	140.4 Å²	140.4	82%	0.824	68%	0.679	S	S	*	*				-168.8	137.6	98.2	-99.7	-67.3	0	0	0	112.9	R398	H396-R398 PolarHBondContact O-N 2.69Å
397	N	27	Very low	29.8	Very low	143 Å²	143	136.8 Å²	136.8	77%	0.765	66%	0.66	S	S	*	*			trans	-78.1	88.3	177.8	-67.9	2.3	0	0	0	111.3
398	R	29.8	Very low	30.5	Very low	241 Å²	241	131.7 Å²	131.7	91%	0.909	64%	0.64	S	S	*	*			trans	-111.1	90.4	162.4	-75.2	-174.8	176	166.9	1	109.2	H396 Y400	H396-R398 PolarHBondContact O-N 2.69Å; R398-Y400 PolarHBondContact O-N 3.24Å
399	H	29.2	Very low	31.1	Very low	139 Å²	139	127.7 Å²	127.7	64%	0.644	62%	0.624	S	S	*	*			trans	-80.3	114.4	-174.1	-88.4	-127.2	0	0	0	112.4
400	Y	28.9	Very low	32.2	Very low	146 Å²	146	125.7 Å²	125.7	57%	0.573	60%	0.597	S	S	*	*			trans	39.1	90	143.1	-51.4	-82.3	0	0	0	118.1	R398 K656	R398-Y400 PolarHBondContact O-N 3.24Å; Y400-K656 HydrophobicContact CE1-CD 3.92Å; Y400-K656 WeakPolarHBondContact OH-CE 3.39Å; Y400-K656 PolarHBondContact OH-NZ 2.92Å; Y400-K656 VanDerWaalsContact OH-NZ 3.08Å
401	L	27.9	Very low	32.8	Very low	119 Å²	119	122.6 Å²	122.6	62%	0.623	58%	0.584	S	S	*	*			trans	-146.6	106.2	159.9	-110	167.3	0	0	0	110.9
402	G	28	Very low	33.9	Very low	18 Å²	18	113.6 Å²	113.6	19%	0.186	55%	0.545	C	S	.	.			trans	46.4	92.2	163.2	0	0	0	0	0	118	R349 I404	R349-G402 PolarHBondContact NH1-O 3.34Å; G402-I404 PolarHBondContact O-N 2.8Å
403	M	29.3	Very low	35	Very low	144 Å²	144	109.3 Å²	109.3	71%	0.709	52%	0.522	S	S	*	.			trans	-73.6	107.2	157.7	-73.7	-77.9	-71.4	0	0	108.8	T405	M403-T405 WeakPolarHBondContact O-CB 3.44Å; M403-T405 PolarHBondContact O-N 3.2Å; M403-T405 PolarHBondContact O-OG1 3.49Å
404	I	32.2	Very low	36.3	Very low	70 Å²	70	104.1 Å²	104.1	36%	0.359	50%	0.501	S	S	.	.			trans	-60.8	116.5	161.9	-58.4	168.6	0	0	0	105.9	L346 G402	L346-I404 HydrophobicContact CD2-CD1 4.08Å; L346-I404 HydrophobicContact CD2-CG1 3.66Å; G402-I404 PolarHBondContact O-N 2.8Å
405	T	31.8	Very low	37.7	Very low	62 Å²	62	101.1 Å²	101.1	38%	0.38	48%	0.483	S	S	.	.			trans	-147.3	0.9	-156.3	65.5	0	0	0	0	114.8	M403 R650	M403-T405 WeakPolarHBondContact O-CB 3.44Å; M403-T405 PolarHBondContact O-N 3.2Å; M403-T405 PolarHBondContact O-OG1 3.49Å; T405-R650 VanDerWaalsContact CB-NH1 3.31Å; T405-R650 VanDerWaalsContact CG2-NH1 3.26Å; T405-R650 PolarHBondContact O-NH1 3.13Å; T405-R650 PolarHBondContact O-NH2 2.93Å; T405-R650 PolarHBondContact OG1-NH1 3.43Å
406	A	34.1	Very low	39.2	Very low	34 Å²	34	96.8 Å²	96.8	28%	0.281	46%	0.462	S	S	.	.			trans	-151.1	141.2	143.5	0	0	0	0	0	109.6
407	I	37	Very low	40.4	Very low	72 Å²	72	93.2 Å²	93.2	37%	0.369	45%	0.446	S	S	.	.			trans	-110.2	131.3	153.9	-62.8	171.5	0	0	0	103.7	H644	I407-H644 WeakPolarHBondContact CG2-ND1 3.24Å
408	R	43.2	Very low	41.7	Very low	94 Å²	94	89.1 Å²	89.1	36%	0.355	42%	0.424	S	S	.	.			trans	-114.9	133.3	169.3	-71.4	-166.2	177.2	-141.1	9.2	108	H410 A459 D460	R408-H410 PolarHBondContact O-CD2 3.14Å; R408-A459 HydrophobicContact CB-CB 3.93Å; R408-D460 WeakPolarHBondContact CD-O 3.24Å; R408-D460 PolarHBondContact NE-O 3.05Å; R408-D460 PolarHBondContact NH1-O 3.48Å; R408-D460 PolarHBondContact NH2-O 3.47Å
409	H	41.9	Very low	42.6	Very low	127 Å²	127	83.5 Å²	83.5	59%	0.588	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-82.1	129.2	178.8	-50.2	122.2	0	0	0	108.7	P643	H409-P643 PolarHBondContact CD2-O 3.39Å; H409-P643 VanDerWaalsContact CD2-O 3.31Å
410	H	51.9	Low	43.3	Very low	23 Å²	23	80.2 Å²	80.2	11%	0.106	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-93.2	118.3	172.5	-69.5	-89.9	0	0	0	107.3	R408 H412 Q457 L458 A459 F646 Y648	R408-H410 PolarHBondContact O-CD2 3.14Å; H410-H412 PolarHBondContact O-N 2.88Å; H410-Q457 WeakPolarHBondContact CA-O 3.39Å; H410-Q457 WeakPolarHBondContact CB-O 3.44Å; H410-Q457 PolarHBondContact ND1-O 2.97Å; H410-L458 VanDerWaalsContact CE1-CD1 3.48Å; H410-L458 WeakPolarHBondContact CE1-CD1 3.46Å; H410-A459 PolarHBondContact CE1-N 3.28Å; H410-A459 PolarHBondContact ND1-N 3.47Å; H410-F646 HydrophobicContact CB-CD2 4.43Å; H410-Y648 AromaticContact CE1-CE2 3.79Å; H410-Y648 PolarHBondContact CE1-OH 2.7Å; H410-Y648 AromaticContact NE2-CE2 3.39Å; H410-Y648 WeakPolarHBondContact NE2-CE2 3.45Å; H410-Y648 AromaticContact NE2-CZ 3.8Å
411	K	47.4	Very low	43.7	Very low	124 Å²	124	78.4 Å²	78.4	54%	0.539	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-71	122.7	-178.8	-167.8	-166.6	169.4	-172.5	0	108.3	F456 Q457	K411-F456 WeakPolarHBondContact O-CA 3.38Å; K411-Q457 HydrophobicContact CB-CB 4.16Å; K411-Q457 PolarHBondContact O-N 3.49Å
412	H	50.9	Low	44	Very low	19 Å²	19	81.8 Å²	81.8	9%	0.088	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	133.6	165.9	-172.6	-118.6	0	0	0	109.2	H410 E414 T415 V455 F456 L639	H410-H412 PolarHBondContact O-N 2.88Å; H412-E414 PolarHBondContact NE2-O 3.1Å; H412-T415 PolarHBondContact CE1-OG1 2.97Å; H412-T415 VanDerWaalsContact CE1-OG1 3.26Å; H412-V455 PolarHBondContact CD2-O 3.18Å; H412-F456 HydrophobicContact CB-CD1 4.43Å; H412-F456 HydrophobicContact CB-CE1 4.14Å; H412-F456 AromaticContact CD2-CE1 3.47Å; H412-F456 VanDerWaalsContact CD2-CE1 3.47Å; H412-F456 WeakPolarHBondContact CD2-CE1 3.29Å; H412-F456 AromaticContact CD2-CZ 3.65Å; H412-L639 HydrophobicContact CB-CB 4.16Å; H412-L639 HydrophobicContact CB-CD2 3.68Å
413	I	55.2	Low	44.4	Very low	73 Å²	73	85.3 Å²	85.3	37%	0.374	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-52.1	-179.5	-54.3	-175.4	0	0	0	109.6	V455 Q457 Q585	I413-V455 HydrophobicContact CB-CB 4.21Å; I413-V455 HydrophobicContact CB-CG1 3.99Å; I413-V455 HydrophobicContact CD1-CG1 4.1Å; I413-V455 HydrophobicContact CG1-CG1 4.35Å; I413-V455 PolarHBondContact N-O 3.27Å; I413-Q457 HydrophobicContact CD1-CB 4.07Å; I413-Q457 HydrophobicContact CG1-CB 4.39Å; I413-Q585 HydrophobicContact CD1-CG 3.95Å
414	E	53.7	Low	44.5	Very low	89 Å²	89	83 Å²	83	42%	0.416	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	144.3	-165.3	-166.5	177.5	176.2	0	0	111.8	H412 Q416 V455	H412-E414 PolarHBondContact NE2-O 3.1Å; E414-Q416 VanDerWaalsContact CD-NE2 3.31Å; E414-Q416 HydrophobicContact CG-CG 4.07Å; E414-Q416 WeakPolarHBondContact OE1-CG 3.49Å; E414-Q416 PolarHBondContact OE1-NE2 2.93Å; E414-V455 HydrophobicContact CB-CB 4.3Å; E414-V455 HydrophobicContact CB-CG2 4.3Å; E414-V455 PolarHBondContact O-N 2.79Å
415	T	55.5	Low	44.4	Very low	52 Å²	52	85.6 Å²	85.6	32%	0.319	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.7	163.3	-56.3	0	0	0	0	108.4	H412 K453 L454	H412-T415 PolarHBondContact CE1-OG1 2.97Å; H412-T415 VanDerWaalsContact CE1-OG1 3.26Å; T415-K453 CarbonylContact C-O 3.52Å; T415-K453 WeakPolarHBondContact CA-O 3.35Å; T415-L454 HydrophobicContact CG2-CD2 3.75Å; T415-L454 WeakPolarHBondContact OG1-CD2 3.28Å
416	Q	58.7	Low	44.3	Very low	65 Å²	65	92 Å²	92	30%	0.304	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.4	169.7	-61.7	175.7	-25.9	0	0	108.9	E414 K453	E414-Q416 VanDerWaalsContact CD-NE2 3.31Å; E414-Q416 HydrophobicContact CG-CG 4.07Å; E414-Q416 WeakPolarHBondContact OE1-CG 3.49Å; E414-Q416 PolarHBondContact OE1-NE2 2.93Å; Q416-K453 HydrophobicContact CB-CB 4.25Å; Q416-K453 PolarHBondContact N-O 3.32Å; Q416-K453 PolarHBondContact O-N 3.37Å
417	E	54.9	Low	44.2	Very low	104 Å²	104	94 Å²	94	49%	0.486	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.2	171.2	-65.7	-158.4	-172.9	0	0	109.6	H452	E417-H452 IonicContact OE1-CE1 2.7Å; E417-H452 PolarHBondContact OE1-CE1 3.43Å; E417-H452 VanDerWaalsContact OE1-CE1 3.22Å; E417-H452 IonicContact OE1-ND1 2.71Å; E417-H452 IonicContact OE2-CE1 2.76Å
418	D	54.8	Low	43.9	Very low	57 Å²	57	95.9 Å²	95.9	31%	0.305	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	105.4	178.2	-67.2	-39.9	0	0	0	110.9	N420 Q451	D418-N420 VanDerWaalsContact C-N 3.27Å; D418-N420 PolarHBondContact O-N 2.77Å; D418-N420 VanDerWaalsContact O-N 3.13Å; D418-Q451 HydrophobicContact CB-CB 4.3Å; D418-Q451 PolarHBondContact N-O 2.93Å; D418-Q451 PolarHBondContact O-N 3.48Å
419	E	47.1	Very low	43.3	Very low	122 Å²	122	96 Å²	96	57%	0.57	48%	0.477	S	S	*	.			trans	-83.2	68.9	165.1	-68.8	-159.4	162	0	0	111.3	N421 K450	E419-N421 VanDerWaalsContact C-N 3.28Å; E419-N421 PolarHBondContact O-N 3.12Å; E419-K450 WeakPolarHBondContact OE1-CE 3.48Å; E419-K450 IonicContact OE1-NZ 3.59Å; E419-K450 PolarHBondContact OE1-NZ 3.42Å
420	N	44.7	Very low	42.6	Very low	71 Å²	71	101.1 Å²	101.1	38%	0.38	49%	0.491	S	S	.	.			trans	-71.2	81.5	175.8	-82.9	-56.7	0	0	0	111.9	D418 L423	D418-N420 VanDerWaalsContact C-N 3.27Å; D418-N420 PolarHBondContact O-N 2.77Å; D418-N420 VanDerWaalsContact O-N 3.13Å; N420-L423 HydrophobicContact CB-CD1 3.72Å; N420-L423 HydrophobicContact CB-CG 4.11Å
421	N	38.3	Very low	41.7	Very low	108 Å²	108	102.1 Å²	102.1	58%	0.578	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	132.5	155.9	-72.2	-57.5	0	0	0	109.1	E419	E419-N421 VanDerWaalsContact C-N 3.28Å; E419-N421 PolarHBondContact O-N 3.12Å
422	E	34.2	Very low	41	Very low	190 Å²	190	105 Å²	105	89%	0.888	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	45.9	172.8	-52.5	-162	131.5	0	0	117.6	D424	E422-D424 PolarHBondContact O-N 3.34Å
423	L	35.6	Very low	40.1	Very low	92 Å²	92	112 Å²	112	48%	0.482	54%	0.54	S	S	.	.			trans	-73	106.6	159.5	-99.1	172.1	0	0	0	111.2	N420 F425	N420-L423 HydrophobicContact CB-CD1 3.72Å; N420-L423 HydrophobicContact CB-CG 4.11Å; L423-F425 PolarHBondContact O-N 3.37Å; L423-F425 VanDerWaalsContact O-N 3.12Å
424	D	30.6	Very low	39	Very low	96 Å²	96	112.8 Å²	112.8	51%	0.513	54%	0.541	S	S	.	.			trans	-59.2	112.8	176.2	-179.2	5	0	0	0	111.3	E422 R426 S427	E422-D424 PolarHBondContact O-N 3.34Å; D424-R426 PolarHBondContact O-N 3.35Å; D424-R426 WeakPolarHBondContact OD1-CB 3.47Å; D424-R426 WeakPolarHBondContact OD1-CD 3.36Å; D424-R426 VanDerWaalsContact OD1-CG 3.24Å; D424-R426 WeakPolarHBondContact OD1-CG 3.24Å; D424-R426 PolarHBondContact OD1-N 3.36Å; D424-R426 WeakPolarHBondContact OD2-CD 3.47Å; D424-S427 PolarHBondContact O-N 3.04Å; D424-S427 VanDerWaalsContact O-N 3.11Å; D424-S427 PolarHBondContact O-OG 3.05Å
425	F	31	Very low	37.8	Very low	123 Å²	123	114 Å²	114	54%	0.539	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-55.3	-18.1	-179.9	-88.7	-92.1	0	0	0	113.8	L423 S427 L428 L440	L423-F425 PolarHBondContact O-N 3.37Å; L423-F425 VanDerWaalsContact O-N 3.12Å; F425-S427 PolarHBondContact O-N 3Å; F425-L428 HydrophobicContact CD1-CD1 4.07Å; F425-L428 PolarHBondContact O-N 3.18Å; F425-L440 HydrophobicContact CE1-CD2 4.29Å
426	R	29.3	Very low	36.4	Very low	198 Å²	198	121 Å²	121	75%	0.747	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-63.6	-27.4	176.7	-67.3	170.8	170.8	-170.6	-2.1	113.5	D424 L428 S429	D424-R426 PolarHBondContact O-N 3.35Å; D424-R426 WeakPolarHBondContact OD1-CB 3.47Å; D424-R426 WeakPolarHBondContact OD1-CD 3.36Å; D424-R426 VanDerWaalsContact OD1-CG 3.24Å; D424-R426 WeakPolarHBondContact OD1-CG 3.24Å; D424-R426 PolarHBondContact OD1-N 3.36Å; D424-R426 WeakPolarHBondContact OD2-CD 3.47Å; R426-L428 VanDerWaalsContact C-N 3.28Å; R426-L428 PolarHBondContact O-N 3.49Å; R426-S429 PolarHBondContact O-N 3.41Å; R426-S429 PolarHBondContact O-OG 3.3Å
427	S	31.6	Very low	35.1	Very low	76 Å²	76	121.4 Å²	121.4	53%	0.531	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-61.9	-32	179.1	57.9	0	0	0	0	113.5	D424 F425 S429	D424-S427 PolarHBondContact O-N 3.04Å; D424-S427 VanDerWaalsContact O-N 3.11Å; D424-S427 PolarHBondContact O-OG 3.05Å; F425-S427 PolarHBondContact O-N 3Å; S427-S429 PolarHBondContact O-N 2.89Å; S427-S429 VanDerWaalsContact O-N 3.1Å
428	L	32.2	Very low	33.8	Very low	111 Å²	111	121.4 Å²	121.4	58%	0.581	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-70.2	-2.3	-178.2	-74.6	150.7	0	0	0	114.6	F425 R426	F425-L428 HydrophobicContact CD1-CD1 4.07Å; F425-L428 PolarHBondContact O-N 3.18Å; R426-L428 VanDerWaalsContact C-N 3.28Å; R426-L428 PolarHBondContact O-N 3.49Å
429	S	29.7	Very low	32.7	Very low	97 Å²	97	127.4 Å²	127.4	68%	0.678	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-89.5	0.9	-174.5	66.7	0	0	0	0	115.8	R426 S427	R426-S429 PolarHBondContact O-N 3.41Å; R426-S429 PolarHBondContact O-OG 3.3Å; S427-S429 PolarHBondContact O-N 2.89Å; S427-S429 VanDerWaalsContact O-N 3.1Å
430	R	28	Very low	32	Very low	234 Å²	234	125.4 Å²	125.4	88%	0.883	60%	0.6	S	S	*	*			trans	-102.8	-9.9	-164.9	-91.5	-174.9	170.3	-177.7	-2.3	118.3
431	S	33.2	Very low	31.4	Very low	44 Å²	44	129.9 Å²	129.9	31%	0.308	62%	0.624	S	S	.	*			trans	-88.5	136.3	168.7	74.1	0	0	0	0	110.8	Y433	S431-Y433 VanDerWaalsContact C-N 3.29Å; S431-Y433 PolarHBondContact O-N 2.99Å
432	K	31.2	Very low	31.1	Very low	183 Å²	183	134.6 Å²	134.6	80%	0.796	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-5.6	-166.8	-79.6	-174.6	172.1	-176.4	0	115.5
433	Y	32.3	Very low	31.2	Very low	168 Å²	168	130.4 Å²	130.4	66%	0.659	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	5.3	-168.7	-65.8	-64	0	0	0	115.5	S431	S431-Y433 VanDerWaalsContact C-N 3.29Å; S431-Y433 PolarHBondContact O-N 2.99Å
434	H	32.9	Very low	31.3	Very low	88 Å²	88	129.4 Å²	129.4	41%	0.407	62%	0.615	S	S	.	*			trans	-74.2	132.9	179.1	-110.8	-88.9	0	0	0	113	K436 W516	H434-K436 PolarHBondContact O-N 3.12Å; H434-W516 AromaticContact CE1-CZ3 3.91Å
435	M	28.3	Very low	31.9	Very low	114 Å²	114	129 Å²	129	56%	0.562	63%	0.625	S	S	*	*			trans	-57.5	127.6	169.6	-77.9	-173.8	63.7	0	0	110.7	K329 L437	K329-M435 HydrophobicContact CD-CE 3.9Å; K329-M435 HydrophobicContact CD-SD 3.6Å; K329-M435 VanDerWaalsContact CD-SD 3.6Å; K329-M435 HydrophobicContact CG-SD 4.37Å; K329-M435 PolarHBondContact NZ-SD 3.11Å; M435-L437 PolarHBondContact O-N 3.16Å
436	K	25.4	Very low	32.7	Very low	201 Å²	201	125.9 Å²	125.9	87%	0.874	61%	0.614	S	S	*	*			trans	-65.6	97.4	165.8	-71.4	-178.9	176.8	177.2	0	109.8	H434 P438	H434-K436 PolarHBondContact O-N 3.12Å; K436-P438 WeakPolarHBondContact O-CD 3.46Å
437	L	31.6	Very low	33.7	Very low	72 Å²	72	119.3 Å²	119.3	38%	0.377	59%	0.591	S	S	.	*			trans	-68.2	116.5	168.6	-94.8	154.4	0	0	0	109	M435 Y439 L440	M435-L437 PolarHBondContact O-N 3.16Å; L437-Y439 PolarHBondContact O-N 3.21Å; L437-Y439 VanDerWaalsContact O-N 3.09Å; L437-L440 HydrophobicContact CB-CD1 4Å; L437-L440 HydrophobicContact CD1-CD1 3.83Å
438	P	28.2	Very low	34.5	Very low	105 Å²	105	117 Å²	117	68%	0.682	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-13.6	-168.9	-23.9	35	0	0	0	116.2	K436	K436-P438 WeakPolarHBondContact O-CD 3.46Å
439	Y	31.2	Very low	35.6	Very low	183 Å²	183	113.9 Å²	113.9	72%	0.718	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-5	-167.6	-62.5	-72.4	0	0	0	115	L437 N441 Y442	L437-Y439 PolarHBondContact O-N 3.21Å; L437-Y439 VanDerWaalsContact O-N 3.09Å; Y439-N441 PolarHBondContact O-N 3Å; Y439-Y442 PolarHBondContact O-N 3.49Å; Y439-Y442 VanDerWaalsContact O-N 3.15Å
440	L	33.1	Very low	37	Very low	79 Å²	79	110.8 Å²	110.8	41%	0.414	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-66.1	-18.8	-178.5	-106.1	165.5	0	0	0	113.8	F425 L437 Y442 F443	F425-L440 HydrophobicContact CE1-CD2 4.29Å; L437-L440 HydrophobicContact CB-CD1 4Å; L437-L440 HydrophobicContact CD1-CD1 3.83Å; L440-Y442 PolarHBondContact O-N 2.93Å; L440-F443 HydrophobicContact CD2-CD2 4.09Å; L440-F443 HydrophobicContact CD2-CE2 4.31Å
441	N	32.1	Very low	38.7	Very low	166 Å²	166	100.4 Å²	100.4	89%	0.888	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-76	-0.4	175.4	-72.2	8.2	0	0	0	114.2	Y439	Y439-N441 PolarHBondContact O-N 3Å
442	Y	31.3	Very low	40.2	Very low	207 Å²	207	98.3 Å²	98.3	81%	0.812	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-98.2	-4.5	-177.3	-122.6	-82.1	0	0	0	114.6	Y439 L440 S444	Y439-Y442 PolarHBondContact O-N 3.49Å; Y439-Y442 VanDerWaalsContact O-N 3.15Å; L440-Y442 PolarHBondContact O-N 2.93Å; Y442-S444 PolarHBondContact O-N 2.88Å
443	F	35.4	Very low	41.8	Very low	102 Å²	102	91.3 Å²	91.3	45%	0.447	45%	0.451	S	S	.	.			trans	-81.6	102.9	176.2	-67.1	-77.7	0	0	0	110.4	L440 H447	L440-F443 HydrophobicContact CD2-CD2 4.09Å; L440-F443 HydrophobicContact CD2-CE2 4.31Å; F443-H447 AromaticContact CD1-CD2 3.8Å; F443-H447 AromaticContact CD1-NE2 3.76Å
444	S	38.4	Very low	43.3	Very low	70 Å²	70	84.2 Å²	84.2	49%	0.49	42%	0.424	S	S	.	.			trans	-71.2	-178.8	172.1	59.6	0	0	0	0	112	Y442 D446	Y442-S444 PolarHBondContact O-N 2.88Å; S444-D446 PolarHBondContact O-N 2.9Å; S444-D446 PolarHBondContact OG-OD1 3.31Å
445	A	44.5	Very low	44.8	Very low	89 Å²	89	80.3 Å²	80.3	74%	0.736	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-8.3	-179.2	0	0	0	0	0	115.1	H447	A445-H447 PolarHBondContact O-N 3.2Å
446	D	46.1	Very low	46.6	Very low	57 Å²	57	75 Å²	75	31%	0.305	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	1	-179.2	-66.8	52.4	0	0	0	116	S444 R595 K596	S444-D446 PolarHBondContact O-N 2.9Å; S444-D446 PolarHBondContact OG-OD1 3.31Å; D446-R595 HydrophobicContact CB-CG 4.21Å; D446-R595 CarbonylContact O-C 3.57Å; D446-R595 WeakPolarHBondContact O-CA 3.31Å; D446-R595 WeakPolarHBondContact O-CG 3.33Å; D446-R595 IonicContact OD2-CZ 2.71Å; D446-R595 IonicContact OD2-NE 2.94Å; D446-R595 PolarHBondContact OD2-NE 3.35Å; D446-R595 IonicContact OD2-NH2 3.48Å; D446-R595 PolarHBondContact OD2-NH2 2.93Å; D446-K596 PolarHBondContact O-N 3.38Å
447	H	50.2	Low	48.5	Very low	59 Å²	59	69 Å²	69	27%	0.273	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145	-167.6	-68.7	-80.2	0	0	0	114.9	F443 A445 V593 V594 K596	F443-H447 AromaticContact CD1-CD2 3.8Å; F443-H447 AromaticContact CD1-NE2 3.76Å; A445-H447 PolarHBondContact O-N 3.2Å; H447-V593 HydrophobicContact CB-CG1 4.25Å; H447-V594 WeakPolarHBondContact CA-O 3.22Å; H447-V594 PolarHBondContact ND1-O 3.44Å; H447-K596 WeakPolarHBondContact O-CE 3.1Å
448	T	48.4	Very low	50.2	Low	29 Å²	29	66 Å²	66	18%	0.178	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.6	165.3	36.1	0	0	0	0	109.8	V593 V594 K596	T448-V593 WeakPolarHBondContact O-CA 3.15Å; T448-V594 PolarHBondContact N-O 3.43Å; T448-V594 PolarHBondContact O-N 3.08Å; T448-V594 WeakPolarHBondContact OG1-CB 3.43Å; T448-V594 PolarHBondContact OG1-O 2.74Å; T448-K596 HydrophobicContact CG2-CD 4.47Å; T448-K596 HydrophobicContact CG2-CG 3.72Å
449	V	55.9	Low	51.9	Low	45 Å²	45	62.2 Å²	62.2	27%	0.273	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	106.4	172.1	-174.1	0	0	0	0	108.4	Q451 R591 S592 V593	V449-Q451 HydrophobicContact CG1-CG 4.05Å; V449-R591 HydrophobicContact CG1-CB 4.2Å; V449-S592 WeakPolarHBondContact CA-O 3.11Å; V449-V593 HydrophobicContact CG1-CG2 4.48Å; V449-V593 HydrophobicContact CG2-CG1 4.33Å; V449-V593 HydrophobicContact CG2-CG2 4.22Å
450	K	59.5	Low	53.5	Low	32 Å²	32	57.5 Å²	57.5	14%	0.139	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.6	170.3	-76.6	-135.7	-175.9	-160.4	0	109.6	E419 R591 S592 F619	E419-K450 WeakPolarHBondContact OE1-CE 3.48Å; E419-K450 IonicContact OE1-NZ 3.59Å; E419-K450 PolarHBondContact OE1-NZ 3.42Å; K450-R591 WeakPolarHBondContact O-CA 3.2Å; K450-S592 PolarHBondContact N-O 3.38Å; K450-S592 PolarHBondContact O-N 2.97Å; K450-F619 HydrophobicContact CD-CB 4.19Å; K450-F619 HydrophobicContact CD-CD1 4.05Å; K450-F619 HydrophobicContact CD-CG 4.24Å; K450-F619 HydrophobicContact CG-CD1 3.85Å; K450-F619 HydrophobicContact CG-CE1 4.39Å
451	Q	64.1	Low	55	Low	15 Å²	15	54.7 Å²	54.7	7%	0.07	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.2	-178.7	-46.3	-172.6	33	0	0	109.6	D418 V449 I590 R591	D418-Q451 HydrophobicContact CB-CB 4.3Å; D418-Q451 PolarHBondContact N-O 2.93Å; D418-Q451 PolarHBondContact O-N 3.48Å; V449-Q451 HydrophobicContact CG1-CG 4.05Å; Q451-I590 WeakPolarHBondContact CA-O 3.44Å; Q451-R591 HydrophobicContact CB-CG 4.21Å; Q451-R591 HydrophobicContact CG-CB 4.28Å; Q451-R591 HydrophobicContact CG-CG 3.87Å; Q451-R591 VanDerWaalsContact OE1-NE 3.16Å
452	H	63.5	Low	56.6	Low	1 Å²	1	48 Å²	48	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.3	178.3	-71.1	-97.2	0	0	0	108.7	E417 Q589 I590 L620 I622	E417-H452 IonicContact OE1-CE1 2.7Å; E417-H452 PolarHBondContact OE1-CE1 3.43Å; E417-H452 VanDerWaalsContact OE1-CE1 3.22Å; E417-H452 IonicContact OE1-ND1 2.71Å; E417-H452 IonicContact OE2-CE1 2.76Å; H452-Q589 CarbonylContact O-C 3.58Å; H452-Q589 WeakPolarHBondContact O-CA 3.36Å; H452-I590 HydrophobicContact CB-CB 4.33Å; H452-I590 PolarHBondContact N-O 2.89Å; H452-I590 PolarHBondContact O-N 2.92Å; H452-L620 PolarHBondContact NE2-O 3.16Å; H452-I622 HydrophobicContact CB-CD1 3.72Å; H452-I622 WeakPolarHBondContact ND1-CD1 3.45Å
453	K	65	Low	58.1	Low	36 Å²	36	44.7 Å²	44.7	16%	0.157	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.1	-179.8	-176.9	-170.5	174.1	-172.3	0	109.3	T415 Q416 D520 V587	T415-K453 CarbonylContact C-O 3.52Å; T415-K453 WeakPolarHBondContact CA-O 3.35Å; Q416-K453 HydrophobicContact CB-CB 4.25Å; Q416-K453 PolarHBondContact N-O 3.32Å; Q416-K453 PolarHBondContact O-N 3.37Å; K453-D520 WeakPolarHBondContact CE-OD2 3.43Å; K453-D520 IonicContact NZ-OD2 3.87Å; K453-D520 PolarHBondContact NZ-OD2 2.95Å; K453-V587 HydrophobicContact CD-CG1 4.16Å; K453-V587 HydrophobicContact CG-CG1 3.34Å
454	L	64.9	Low	59.3	Low	19 Å²	19	43.3 Å²	43.3	10%	0.099	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.4	-177.3	-60.4	170	0	0	0	110.2	T415 F456 V587 I588 I590 I622	T415-L454 HydrophobicContact CG2-CD2 3.75Å; T415-L454 WeakPolarHBondContact OG1-CD2 3.28Å; L454-F456 HydrophobicContact CB-CE2 3.51Å; L454-F456 HydrophobicContact CB-CZ 3.82Å; L454-F456 WeakPolarHBondContact O-CD2 3.14Å; L454-F456 VanDerWaalsContact O-CE2 3.31Å; L454-F456 WeakPolarHBondContact O-CE2 3.2Å; L454-V587 WeakPolarHBondContact O-CA 3.49Å; L454-I588 HydrophobicContact CB-CB 4.39Å; L454-I588 PolarHBondContact N-O 3.35Å; L454-I588 PolarHBondContact O-N 2.74Å; L454-I590 HydrophobicContact CD1-CD1 3.77Å; L454-I590 HydrophobicContact CD1-CG1 4.29Å; L454-I622 HydrophobicContact CD1-CD1 4.47Å; L454-I622 HydrophobicContact CD2-CD1 4.24Å
455	V	64.8	Low	60.1	Low	5 Å²	5	41.2 Å²	41.2	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.3	-172	-175.7	0	0	0	0	111.7	H412 I413 E414 Q585 V587	H412-V455 PolarHBondContact CD2-O 3.18Å; I413-V455 HydrophobicContact CB-CB 4.21Å; I413-V455 HydrophobicContact CB-CG1 3.99Å; I413-V455 HydrophobicContact CD1-CG1 4.1Å; I413-V455 HydrophobicContact CG1-CG1 4.35Å; I413-V455 PolarHBondContact N-O 3.27Å; E414-V455 HydrophobicContact CB-CB 4.3Å; E414-V455 HydrophobicContact CB-CG2 4.3Å; E414-V455 PolarHBondContact O-N 2.79Å; V455-Q585 HydrophobicContact CG1-CG 4.45Å; V455-Q585 VanDerWaalsContact CG1-OE1 3.29Å; V455-V587 HydrophobicContact CB-CG2 4.45Å; V455-V587 HydrophobicContact CG1-CG2 4.23Å; V455-V587 HydrophobicContact CG2-CG1 4.27Å; V455-V587 HydrophobicContact CG2-CG2 4.06Å
456	F	64.6	Low	60.8	Low	2 Å²	2	43.9 Å²	43.9	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.2	-175.1	-61.1	-79.5	0	0	0	113.1	K411 H412 L454 Q585 I586 I588 L639 L645 F646	K411-F456 WeakPolarHBondContact O-CA 3.38Å; H412-F456 HydrophobicContact CB-CD1 4.43Å; H412-F456 HydrophobicContact CB-CE1 4.14Å; H412-F456 AromaticContact CD2-CE1 3.47Å; H412-F456 VanDerWaalsContact CD2-CE1 3.47Å; H412-F456 WeakPolarHBondContact CD2-CE1 3.29Å; H412-F456 AromaticContact CD2-CZ 3.65Å; L454-F456 HydrophobicContact CB-CE2 3.51Å; L454-F456 HydrophobicContact CB-CZ 3.82Å; L454-F456 WeakPolarHBondContact O-CD2 3.14Å; L454-F456 VanDerWaalsContact O-CE2 3.31Å; L454-F456 WeakPolarHBondContact O-CE2 3.2Å; F456-Q585 VanDerWaalsContact O-CA 3.31Å; F456-Q585 WeakPolarHBondContact O-CA 3.18Å; F456-I586 PolarHBondContact N-O 3.01Å; F456-I586 PolarHBondContact O-N 2.7Å; F456-I588 HydrophobicContact CD2-CD1 3.95Å; F456-I588 HydrophobicContact CD2-CG1 4.13Å; F456-I588 HydrophobicContact CE2-CB 4.28Å; F456-I588 HydrophobicContact CE2-CD1 3.53Å; F456-I588 HydrophobicContact CE2-CG1 3.92Å; F456-I588 HydrophobicContact CZ-CD1 4.29Å; F456-L639 HydrophobicContact CE1-CD2 3.59Å; F456-L639 HydrophobicContact CZ-CD2 4.11Å; F456-L645 HydrophobicContact CD1-CD2 3.99Å; F456-L645 HydrophobicContact CE1-CD2 3.2Å; F456-L645 HydrophobicContact CE2-CD2 3.9Å; F456-L645 HydrophobicContact CZ-CD2 3.16Å; F456-F646 HydrophobicContact CG-CE2 4.49Å
457	Q	65.9	Low	61.6	Low	77 Å²	77	41.3 Å²	41.3	36%	0.36	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.8	169.1	-156.9	173.3	10.1	0	0	110.5	H410 K411 I413 A459 K584	H410-Q457 WeakPolarHBondContact CA-O 3.39Å; H410-Q457 WeakPolarHBondContact CB-O 3.44Å; H410-Q457 PolarHBondContact ND1-O 2.97Å; K411-Q457 HydrophobicContact CB-CB 4.16Å; K411-Q457 PolarHBondContact O-N 3.49Å; I413-Q457 HydrophobicContact CD1-CB 4.07Å; I413-Q457 HydrophobicContact CG1-CB 4.39Å; Q457-A459 PolarHBondContact O-N 3.24Å; Q457-K584 WeakPolarHBondContact CA-O 3.36Å
458	L	67.2	Low	61.9	Low	8 Å²	8	39.4 Å²	39.4	4%	0.042	22%	0.216	C	C	.	.			trans	-79.3	114.2	175.4	-174.5	76.2	0	0	0	110.3	H410 I573 I576 N577 K584 I586 Y648	H410-L458 VanDerWaalsContact CE1-CD1 3.48Å; H410-L458 WeakPolarHBondContact CE1-CD1 3.46Å; L458-I573 HydrophobicContact CD1-CG2 4.06Å; L458-I576 HydrophobicContact CD2-CB 4.06Å; L458-I576 HydrophobicContact CD2-CG2 3.74Å; L458-N577 HydrophobicContact CD2-CB 3.95Å; L458-K584 HydrophobicContact CB-CB 3.74Å; L458-K584 HydrophobicContact CD2-CB 4.41Å; L458-K584 HydrophobicContact CD2-CD 4.33Å; L458-K584 PolarHBondContact N-O 3.43Å; L458-I586 HydrophobicContact CD1-CD1 3.59Å; L458-I586 HydrophobicContact CG-CD1 4.5Å; L458-Y648 WeakPolarHBondContact CD1-OH 3.2Å
459	A	63.7	Low	62.3	Low	26 Å²	26	38.2 Å²	38.2	22%	0.215	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-77.8	128.3	171.1	0	0	0	0	0	110.8	R408 H410 Q457 I461	R408-A459 HydrophobicContact CB-CB 3.93Å; H410-A459 PolarHBondContact CE1-N 3.28Å; H410-A459 PolarHBondContact ND1-N 3.47Å; Q457-A459 PolarHBondContact O-N 3.24Å; A459-I461 PolarHBondContact O-N 2.98Å
460	D	64.6	Low	62.7	Low	84 Å²	84	36.3 Å²	36.3	45%	0.449	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-50.8	134.2	-169.6	-61	-63.5	0	0	0	114.7	R408 K584	R408-D460 WeakPolarHBondContact CD-O 3.24Å; R408-D460 PolarHBondContact NE-O 3.05Å; R408-D460 PolarHBondContact NH1-O 3.48Å; R408-D460 PolarHBondContact NH2-O 3.47Å; D460-K584 IonicContact OD1-NZ 3.44Å; D460-K584 PolarHBondContact OD1-NZ 2.71Å
461	I	66.1	Low	62.9	Low	19 Å²	19	35.4 Å²	35.4	10%	0.097	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-92.3	117.3	164.6	-50.2	175.2	0	0	0	106.8	A459 S463 E465 L467 I573 N577 Y648	A459-I461 PolarHBondContact O-N 2.98Å; I461-S463 PolarHBondContact O-N 3.12Å; I461-E465 HydrophobicContact CG2-CB 4.26Å; I461-E465 WeakPolarHBondContact CG2-O 3.42Å; I461-L467 HydrophobicContact CD1-CB 4.42Å; I461-L467 HydrophobicContact CD1-CD2 4.32Å; I461-I573 HydrophobicContact CD1-CG2 4.06Å; I461-N577 PolarHBondContact N-OD1 2.75Å; I461-N577 PolarHBondContact O-ND2 3.23Å; I461-N577 PolarHBondContact O-OD1 2.96Å; I461-Y648 HydrophobicContact CD1-CD2 4.1Å; I461-Y648 HydrophobicContact CD1-CE2 3.89Å; I461-Y648 HydrophobicContact CG1-CD2 4.21Å; I461-Y648 HydrophobicContact CG1-CE2 4.08Å
462	P	64.8	Low	62.9	Low	27 Å²	27	34.8 Å²	34.8	18%	0.175	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-59.1	139.5	-179.9	-26.9	37.4	0	0	0	111.9	N464 E465	P462-N464 WeakPolarHBondContact CB-OD1 3.46Å; P462-N464 PolarHBondContact O-N 2.77Å; P462-E465 HydrophobicContact CB-CG 4.23Å; P462-E465 HydrophobicContact CG-CG 4.46Å; P462-E465 WeakPolarHBondContact O-CA 3.26Å; P462-E465 WeakPolarHBondContact O-CB 3.5Å; P462-E465 PolarHBondContact O-N 3.23Å
463	S	61.8	Low	62.7	Low	136 Å²	136	36.8 Å²	36.8	95%	0.951	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-5.3	-177.2	55	0	0	0	0	115.8	I461	I461-S463 PolarHBondContact O-N 3.12Å
464	N	60.6	Low	62.5	Low	74 Å²	74	37.3 Å²	37.3	40%	0.396	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	12.2	170.1	67.5	-12.9	0	0	0	113.9	P462 L658	P462-N464 WeakPolarHBondContact CB-OD1 3.46Å; P462-N464 PolarHBondContact O-N 2.77Å; N464-L658 WeakPolarHBondContact ND2-CD2 3.3Å
465	E	55.8	Low	62.3	Low	25 Å²	25	41.8 Å²	41.8	12%	0.117	22%	0.219	C	C	.	.	S	Bend	trans	-124.6	112.7	176	-62.7	178.3	-156.8	0	0	109.1	I461 P462 R650 R660	I461-E465 HydrophobicContact CG2-CB 4.26Å; I461-E465 WeakPolarHBondContact CG2-O 3.42Å; P462-E465 HydrophobicContact CB-CG 4.23Å; P462-E465 HydrophobicContact CG-CG 4.46Å; P462-E465 WeakPolarHBondContact O-CA 3.26Å; P462-E465 WeakPolarHBondContact O-CB 3.5Å; P462-E465 PolarHBondContact O-N 3.23Å; E465-R650 VanDerWaalsContact CD-CZ 3.47Å; E465-R650 IonicContact OE1-CZ 2.59Å; E465-R650 IonicContact OE1-NE 3.75Å; E465-R650 IonicContact OE1-NH2 3.15Å; E465-R650 PolarHBondContact OE1-NH2 2.64Å; E465-R650 IonicContact OE2-CZ 2.75Å; E465-R650 IonicContact OE2-NE 2.67Å; E465-R650 PolarHBondContact OE2-NE 2.89Å; E465-R650 IonicContact OE2-NH2 3.6Å; E465-R650 PolarHBondContact OE2-NH2 2.96Å; E465-R660 IonicContact OE1-CZ 2.7Å; E465-R660 IonicContact OE1-NH1 2.68Å; E465-R660 PolarHBondContact OE1-NH1 3.24Å; E465-R660 IonicContact OE1-NH2 3.17Å; E465-R660 PolarHBondContact OE1-NH2 3.36Å
466	K	59.4	Low	62.1	Low	145 Å²	145	42.9 Å²	42.9	63%	0.63	22%	0.223	S	C	*	.			trans	-74	141.4	173.8	179.8	163.3	-175	161.8	0	111	V468	K466-V468 PolarHBondContact O-N 2.86Å
467	L	62.7	Low	61.5	Low	3 Å²	3	47.9 Å²	47.9	2%	0.016	25%	0.247	C	C	.	.			trans	-75.4	112	170.4	176.5	53.4	0	0	0	109.6	I461 A469 L570 I573 E574 Y648	I461-L467 HydrophobicContact CD1-CB 4.42Å; I461-L467 HydrophobicContact CD1-CD2 4.32Å; L467-A469 WeakPolarHBondContact CD1-O 3.46Å; L467-L570 HydrophobicContact CD2-CB 4.2Å; L467-L570 HydrophobicContact CD2-CD2 4.04Å; L467-L570 HydrophobicContact CG-CD2 4.22Å; L467-I573 HydrophobicContact CD2-CB 3.73Å; L467-I573 HydrophobicContact CD2-CD1 4.47Å; L467-I573 HydrophobicContact CD2-CG2 3.55Å; L467-E574 HydrophobicContact CB-CG 3.65Å; L467-E574 WeakPolarHBondContact CB-OE1 2.94Å; L467-E574 HydrophobicContact CD2-CG 4.16Å; L467-E574 HydrophobicContact CG-CG 4.47Å; L467-E574 PolarHBondContact N-OE1 2.88Å; L467-E574 VanDerWaalsContact N-OE1 3.08Å; L467-Y648 HydrophobicContact CD1-CD1 3.3Å; L467-Y648 HydrophobicContact CD1-CE1 3.92Å; L467-Y648 HydrophobicContact CD1-CG 3.81Å; L467-Y648 HydrophobicContact CD2-CE1 4.4Å
468	V	57.7	Low	60.8	Low	20 Å²	20	45 Å²	45	12%	0.121	24%	0.236	C	C	.	.			trans	-93.3	-35.4	-175.2	-174.4	0	0	0	0	112.7	Y342 K466 H649	Y342-V468 HydrophobicContact CE2-CG1 3.39Å; Y342-V468 VanDerWaalsContact CZ-CG1 3.46Å; Y342-V468 WeakPolarHBondContact OH-CG1 3.45Å; K466-V468 PolarHBondContact O-N 2.86Å; V468-H649 HydrophobicContact CB-CB 4.31Å; V468-H649 VanDerWaalsContact CB-O 3.29Å; V468-H649 WeakPolarHBondContact CB-O 3.41Å; V468-H649 VanDerWaalsContact CG2-O 3.3Å; V468-H649 WeakPolarHBondContact CG2-O 3.2Å; V468-H649 PolarHBondContact N-O 2.83Å
469	A	56.9	Low	59.9	Low	3 Å²	3	53.1 Å²	53.1	3%	0.025	27%	0.271	C	S	.	.			trans	-169.3	160	179.9	0	0	0	0	0	110.5	M343 L467 Y648 H649	M343-A469 HydrophobicContact CE-CB 3.58Å; M343-A469 HydrophobicContact CG-CB 4.03Å; M343-A469 HydrophobicContact SD-CB 3.87Å; L467-A469 WeakPolarHBondContact CD1-O 3.46Å; A469-Y648 WeakPolarHBondContact O-CA 3.48Å; A469-H649 HydrophobicContact CB-CB 4.43Å; A469-H649 PolarHBondContact O-N 2.95Å
470	A	63.7	Low	58.7	Low	5 Å²	5	58.3 Å²	58.3	4%	0.041	29%	0.292	C	S	.	.			trans	-146.8	158.8	174.5	0	0	0	0	0	111.3	L565 L570 T647 Y648	A470-L565 HydrophobicContact CB-CB 4.22Å; A470-L565 HydrophobicContact CB-CD1 3.72Å; A470-L565 HydrophobicContact CB-CG 4Å; A470-L565 PolarHBondContact O-N 3.06Å; A470-L570 HydrophobicContact CB-CD2 3.51Å; A470-T647 WeakPolarHBondContact CA-O 3.42Å; A470-Y648 HydrophobicContact CB-CD1 3.8Å; A470-Y648 HydrophobicContact CB-CE1 3.76Å
471	S	62.3	Low	57.4	Low	13 Å²	13	59.8 Å²	59.8	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	146.8	169.8	73.4	0	0	0	0	111.6	H562 I563 F646 T647	S471-H562 PolarHBondContact OG-ND1 3.37Å; S471-I563 CarbonylContact C-O 3.4Å; S471-I563 WeakPolarHBondContact CA-O 3.45Å; S471-I563 WeakPolarHBondContact CB-O 3.46Å; S471-F646 WeakPolarHBondContact O-CA 3.37Å; S471-T647 PolarHBondContact OG-OG1 3.16Å
472	I	64.7	Low	55.8	Low	2 Å²	2	63.8 Å²	63.8	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	145	168	-70.2	161.4	0	0	0	109.4	I474 L515 L517 H562 I563 L565 I588 L645 F646	I472-I474 HydrophobicContact CG2-CD1 4.2Å; I472-I474 HydrophobicContact CG2-CG1 3.83Å; I472-L515 HydrophobicContact CD1-CD2 3.98Å; I472-L517 HydrophobicContact CD1-CD1 3.47Å; I472-L517 VanDerWaalsContact CD1-CD1 3.47Å; I472-L517 HydrophobicContact CD1-CD2 4.41Å; I472-L517 HydrophobicContact CD1-CG 4.14Å; I472-H562 CarbonylContact O-C 3.58Å; I472-H562 WeakPolarHBondContact O-CA 3.45Å; I472-I563 PolarHBondContact N-O 2.84Å; I472-I563 PolarHBondContact O-N 2.94Å; I472-L565 HydrophobicContact CD1-CD2 3.79Å; I472-L565 HydrophobicContact CG1-CD2 3.99Å; I472-I588 HydrophobicContact CD1-CD1 3.49Å; I472-I588 VanDerWaalsContact CD1-CD1 3.49Å; I472-I588 HydrophobicContact CD1-CG1 4.04Å; I472-I588 HydrophobicContact CD1-CG2 4.49Å; I472-I588 HydrophobicContact CG1-CD1 3.94Å; I472-I588 HydrophobicContact CG2-CD1 4.42Å; I472-L645 WeakPolarHBondContact CA-O 3.29Å; I472-L645 HydrophobicContact CG2-CG 4.44Å; I472-F646 HydrophobicContact CG1-CZ 4.29Å
473	R	60.5	Low	54.2	Low	43 Å²	43	68.3 Å²	68.3	16%	0.162	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.9	175.4	-176.9	178.6	173.7	169.1	-0.4	111.2	W560 F561 L645	R473-W560 HydrophobicContact CG-CE3 3.57Å; R473-W560 HydrophobicContact CG-CZ3 3.87Å; R473-F561 CarbonylContact C-O 3.42Å; R473-F561 VanDerWaalsContact CA-O 3.29Å; R473-F561 WeakPolarHBondContact CA-O 3.34Å; R473-L645 WeakPolarHBondContact O-CD1 3.45Å
474	I	61	Low	52.9	Low	48 Å²	48	69.5 Å²	69.5	25%	0.246	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.5	-179.5	-54.4	-172.8	0	0	0	109.4	I472 L515 W560 F561 I563 I590	I472-I474 HydrophobicContact CG2-CD1 4.2Å; I472-I474 HydrophobicContact CG2-CG1 3.83Å; I474-L515 HydrophobicContact CD1-CD1 3.76Å; I474-W560 CarbonylContact O-C 3.6Å; I474-W560 WeakPolarHBondContact O-CA 3.45Å; I474-F561 PolarHBondContact N-O 3.07Å; I474-F561 PolarHBondContact O-N 3.28Å; I474-I563 HydrophobicContact CD1-CD1 3.71Å; I474-I563 HydrophobicContact CG1-CD1 4.32Å; I474-I590 HydrophobicContact CD1-CD1 4.46Å
475	R	60.5	Low	51.7	Low	112 Å²	112	71.5 Å²	71.5	42%	0.423	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.3	166.3	-172.3	176.1	177.1	168.8	-6.3	108.3	E477 G559 W560	R475-E477 HydrophobicContact CG-CG 4.34Å; R475-E477 IonicContact CZ-OE1 2.66Å; R475-E477 IonicContact NE-OE1 3.1Å; R475-E477 PolarHBondContact NE-OE1 3.28Å; R475-E477 IonicContact NH2-OE1 3.17Å; R475-E477 PolarHBondContact NH2-OE1 2.93Å; R475-G559 WeakPolarHBondContact CA-O 3.5Å; R475-W560 HydrophobicContact CB-CD2 3.93Å; R475-W560 HydrophobicContact CB-CE3 3.72Å; R475-W560 HydrophobicContact CB-CH2 4.1Å; R475-W560 HydrophobicContact CB-CZ2 4.27Å; R475-W560 HydrophobicContact CB-CZ3 3.81Å; R475-W560 HydrophobicContact CG-CD2 4.3Å
476	Y	59.6	Low	50.5	Low	29 Å²	29	74.5 Å²	74.5	11%	0.114	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137	172.8	174.7	-97.6	0	0	0	109.2	A478 Y510 L513 L556 N558 G559	Y476-A478 HydrophobicContact CE1-CB 3.96Å; Y476-Y510 HydrophobicContact CE1-CD1 4.47Å; Y476-L513 HydrophobicContact CD2-CD1 4.28Å; Y476-L513 HydrophobicContact CE2-CD1 4.24Å; Y476-L556 HydrophobicContact CD1-CB 3.61Å; Y476-L556 HydrophobicContact CD1-CD1 4.46Å; Y476-L556 HydrophobicContact CD2-CD1 4.34Å; Y476-L556 HydrophobicContact CE1-CB 3.88Å; Y476-L556 WeakPolarHBondContact CE1-O 3.5Å; Y476-L556 HydrophobicContact CG-CB 4.16Å; Y476-L556 HydrophobicContact CG-CD1 4.23Å; Y476-N558 CarbonylContact O-C 3.49Å; Y476-N558 VanDerWaalsContact O-CA 3.32Å; Y476-N558 WeakPolarHBondContact O-CA 3.48Å; Y476-G559 PolarHBondContact N-O 2.88Å; Y476-G559 PolarHBondContact O-N 3.48Å
477	E	52.9	Low	49.4	Very low	107 Å²	107	71.7 Å²	71.7	50%	0.5	36%	0.359	S	S	.	.			trans	-139.2	108.2	176.6	-62.3	-168.4	156.5	0	0	109.3	R475 K479	R475-E477 HydrophobicContact CG-CG 4.34Å; R475-E477 IonicContact CZ-OE1 2.66Å; R475-E477 IonicContact NE-OE1 3.1Å; R475-E477 PolarHBondContact NE-OE1 3.28Å; R475-E477 IonicContact NH2-OE1 3.17Å; R475-E477 PolarHBondContact NH2-OE1 2.93Å; E477-K479 PolarHBondContact O-N 2.88Å
478	A	50.9	Low	48	Very low	16 Å²	16	73.8 Å²	73.8	13%	0.132	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-71.2	121.7	168.6	0	0	0	0	0	109.2	Y476 Y510 N558	Y476-A478 HydrophobicContact CE1-CB 3.96Å; A478-Y510 HydrophobicContact CB-CE1 4.47Å; A478-N558 WeakPolarHBondContact CB-OD1 3.46Å; A478-N558 PolarHBondContact N-OD1 3.05Å; A478-N558 PolarHBondContact O-ND2 3.43Å
479	K	47.1	Very low	47	Very low	179 Å²	179	78 Å²	78	78%	0.778	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-70.6	126.6	163.9	-71.6	-171.8	174.4	-173.8	0	108.6	E477	E477-K479 PolarHBondContact O-N 2.88Å
480	M	38.3	Very low	45.9	Very low	134 Å²	134	85.7 Å²	85.7	66%	0.66	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-85.7	127.3	168.6	-62.1	-175.2	82.6	0	0	108.7
481	Y	37.5	Very low	44.5	Very low	116 Å²	116	90.4 Å²	90.4	46%	0.455	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-80.9	123.5	169.1	-68.4	-73.7	0	0	0	109.6	T483 S617	Y481-T483 PolarHBondContact O-N 2.86Å; Y481-S617 VanDerWaalsContact OH-C 3.25Å; Y481-S617 VanDerWaalsContact OH-CB 3.25Å; Y481-S617 WeakPolarHBondContact OH-CB 3.48Å; Y481-S617 PolarHBondContact OH-O 3.48Å; Y481-S617 PolarHBondContact OH-OG 3.46Å
482	S	34.3	Very low	43.3	Very low	103 Å²	103	91.1 Å²	91.1	72%	0.72	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-76.3	118.9	174.6	51.1	0	0	0	0	110.7	N484	S482-N484 PolarHBondContact O-N 3.32Å
483	T	30.7	Very low	41.8	Very low	121 Å²	121	100.8 Å²	100.8	74%	0.742	50%	0.498	S	S	*	.	S	Bend	trans	19.3	84.5	149.1	53.5	0	0	0	0	116.4	Y481	Y481-T483 PolarHBondContact O-N 2.86Å
484	N	33.7	Very low	40.3	Very low	161 Å²	161	108 Å²	108	86%	0.861	53%	0.531	S	S	*	.			trans	-173.7	-7.6	155.5	-99.5	-9.6	0	0	0	113.2	S482 T486	S482-N484 PolarHBondContact O-N 3.32Å; N484-T486 PolarHBondContact O-N 2.03Å
485	Y	34.8	Very low	38.8	Very low	117 Å²	117	107.5 Å²	107.5	46%	0.459	53%	0.532	S	S	.	.			trans	-74.6	109.4	173.3	-96.9	-96.4	0	0	0	112.5	M614	Y485-M614 VanDerWaalsContact OH-CG 3.27Å; Y485-M614 WeakPolarHBondContact OH-CG 3.41Å; Y485-M614 PolarHBondContact OH-SD 3.4Å
486	T	32.4	Very low	37.3	Very low	87 Å²	87	106.9 Å²	106.9	53%	0.534	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-73	122.8	159.6	33.5	0	0	0	0	109.7	N484 H602	N484-T486 PolarHBondContact O-N 2.03Å; T486-H602 WeakPolarHBondContact CB-NE2 2.98Å; T486-H602 PolarHBondContact OG1-CD2 2.84Å; T486-H602 PolarHBondContact OG1-NE2 3.01Å
487	I	34.9	Very low	35.9	Very low	87 Å²	87	112 Å²	112	45%	0.446	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-80.5	129.2	179.8	-62.1	174.1	0	0	0	109.3	T489 T492	I487-T489 PolarHBondContact O-N 3.07Å; I487-T492 HydrophobicContact CB-CG2 4.44Å; I487-T492 HydrophobicContact CG2-CG2 4.03Å
488	P	34.5	Very low	34.7	Very low	46 Å²	46	111.9 Å²	111.9	30%	0.299	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-52	128.9	177.7	-29.5	36	0	0	0	113.1	E490 L491 T601	P488-E490 PolarHBondContact O-N 2.79Å; P488-L491 PolarHBondContact O-N 3.39Å; P488-T601 WeakPolarHBondContact CB-OG1 3.34Å; P488-T601 WeakPolarHBondContact CG-OG1 2.96Å
489	T	35.3	Very low	33.8	Very low	110 Å²	110	116.2 Å²	116.2	68%	0.675	60%	0.597	S	S	*	*	H	α-helix	trans	-69.7	-4.4	-168.4	41.7	0	0	0	0	115.1	I487 T492	I487-T489 PolarHBondContact O-N 3.07Å; T489-T492 WeakPolarHBondContact CA-OG1 3.28Å; T489-T492 PolarHBondContact O-OG1 3Å
490	E	34.6	Very low	32.9	Very low	164 Å²	164	113.8 Å²	113.8	77%	0.766	60%	0.597	S	S	*	*	H	α-helix	trans	-82.7	-30.3	173.9	-56.6	-149.1	129.7	0	0	112.8	P488	P488-E490 PolarHBondContact O-N 2.79Å
491	L	34.6	Very low	32.7	Very low	104 Å²	104	114.5 Å²	114.5	55%	0.545	60%	0.604	S	S	.	*	H	α-helix	trans	-77.1	-24.1	170.9	-78	99	0	0	0	112.6	P488 R493	P488-L491 PolarHBondContact O-N 3.39Å; L491-R493 VanDerWaalsContact C-N 3.35Å; L491-R493 PolarHBondContact O-N 3.44Å
492	T	36.4	Very low	32.3	Very low	28 Å²	28	116.9 Å²	116.9	17%	0.172	62%	0.624	C	S	.	*	H	α-helix	trans	-74.4	-22	-174.2	63.1	0	0	0	0	113.5	I487 T489 F494 C495 I496	I487-T492 HydrophobicContact CB-CG2 4.44Å; I487-T492 HydrophobicContact CG2-CG2 4.03Å; T489-T492 WeakPolarHBondContact CA-OG1 3.28Å; T489-T492 PolarHBondContact O-OG1 3Å; T492-F494 PolarHBondContact O-N 3.01Å; T492-C495 PolarHBondContact O-N 2.89Å; T492-I496 HydrophobicContact CG2-CD1 3.88Å; T492-I496 PolarHBondContact O-N 3.5Å
493	R	32.4	Very low	32.1	Very low	205 Å²	205	120.1 Å²	120.1	77%	0.774	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-19.7	-177.5	-87.8	-175.7	171.1	160	0.5	116	L491	L491-R493 VanDerWaalsContact C-N 3.35Å; L491-R493 PolarHBondContact O-N 3.44Å
494	F	30.7	Very low	32.2	Very low	193 Å²	193	121.9 Å²	121.9	85%	0.846	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-9.3	174.3	-78.6	-79.9	0	0	0	114.5	T492	T492-F494 PolarHBondContact O-N 3.01Å
495	C	29.1	Very low	32	Very low	39 Å²	39	120 Å²	120	26%	0.264	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.7	-28.2	-172.9	-51.5	0	0	0	0	113	T492 C542 L544	T492-C495 PolarHBondContact O-N 2.89Å; C495-C542 VanDerWaalsContact SG-CB 3.58Å; C495-C542 PolarHBondContact SG-O 2.96Å; C495-L544 WeakPolarHBondContact O-CB 2.98Å; C495-L544 VanDerWaalsContact O-CD1 3.3Å; C495-L544 WeakPolarHBondContact O-CD1 3.39Å
496	I	29.6	Very low	31.8	Very low	99 Å²	99	118.5 Å²	118.5	51%	0.508	63%	0.628	S	S	.	*			trans	-122	109.1	-173	-54.1	-175.4	0	0	0	109.1	T492 L544	T492-I496 HydrophobicContact CG2-CD1 3.88Å; T492-I496 PolarHBondContact O-N 3.5Å; I496-L544 HydrophobicContact CG1-CD1 4.49Å
497	N	28.5	Very low	31.8	Very low	135 Å²	135	119.3 Å²	119.3	72%	0.722	63%	0.633	S	S	*	*			trans	-142.1	119.7	160.6	-135.5	-11.7	0	0	0	110.5
498	T	28.6	Very low	31.9	Very low	106 Å²	106	117.8 Å²	117.8	65%	0.65	63%	0.63	S	S	*	*			trans	37.4	102	163.5	59.4	0	0	0	0	117.6	K546	T498-K546 PolarHBondContact O-NZ 2.94Å
499	T	31	Very low	32.1	Very low	107 Å²	107	122.1 Å²	122.1	66%	0.656	64%	0.644	S	S	*	*				-159.5	142.7	83.4	49.5	0	0	0	0	110	N501 K546	T499-N501 PolarHBondContact O-N 3.21Å; T499-K546 PolarHBondContact OG1-NZ 2.87Å
500	T	29.5	Very low	32.4	Very low	128 Å²	128	120.6 Å²	120.6	79%	0.785	63%	0.626	S	S	*	*			trans	-39.6	121.4	164.1	46.4	0	0	0	0	113.7
501	N	32.7	Very low	33.1	Very low	149 Å²	149	116.7 Å²	116.7	80%	0.797	61%	0.605	S	S	*	*				-170.8	150.4	125.7	-91.6	-3.4	0	0	0	108.9	T499 E503	T499-N501 PolarHBondContact O-N 3.21Å; N501-E503 PolarHBondContact O-N 3.03Å
502	N	30.1	Very low	33.6	Very low	166 Å²	166	113.3 Å²	113.3	89%	0.888	59%	0.589	S	S	*	*	S	Bend	trans	-83.3	99.4	-167.5	-62.8	-21.4	0	0	0	111.9
503	E	30.3	Very low	34.3	Very low	170 Å²	170	113 Å²	113	79%	0.794	59%	0.586	S	S	*	*			trans	-169.4	60.3	160.3	-116.8	175.3	-137.2	0	0	112.6	N501 N505	N501-E503 PolarHBondContact O-N 3.03Å; E503-N505 VanDerWaalsContact C-N 3.29Å; E503-N505 PolarHBondContact O-N 3.28Å
504	I	31.9	Very low	35.1	Very low	159 Å²	159	104.3 Å²	104.3	82%	0.815	56%	0.557	S	S	*	*			trans	-85.8	70.8	176.3	-50.5	-177.9	0	0	0	110.1
505	N	29.8	Very low	36.1	Very low	120 Å²	120	95.3 Å²	95.3	64%	0.642	52%	0.518	S	S	*	.			trans	-84.3	120.1	176.8	-81.4	-43	0	0	0	111.9	E503	E503-N505 VanDerWaalsContact C-N 3.29Å; E503-N505 PolarHBondContact O-N 3.28Å
506	S	31	Very low	37.2	Very low	87 Å²	87	95.1 Å²	95.1	61%	0.608	51%	0.511	S	S	*	.			trans	43.6	96.6	164.3	51.9	0	0	0	0	118.7
507	T	33.4	Very low	38.4	Very low	104 Å²	104	90.5 Å²	90.5	64%	0.638	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-90.5	122.3	157.1	45.4	0	0	0	0	110.1
508	S	35.1	Very low	39.6	Very low	54 Å²	54	86.2 Å²	86.2	38%	0.378	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-91.9	126.8	174.9	37.8	0	0	0	0	111.1	Y510	S508-Y510 VanDerWaalsContact O-CD2 3.27Å; S508-Y510 WeakPolarHBondContact O-CD2 3.35Å; S508-Y510 VanDerWaalsContact O-CE2 3.26Å; S508-Y510 WeakPolarHBondContact O-CE2 3.18Å; S508-Y510 WeakPolarHBondContact OG-CE2 3.37Å; S508-Y510 PolarHBondContact OG-OH 3.24Å
509	F	38.9	Very low	40.4	Very low	137 Å²	137	82.4 Å²	82.4	60%	0.601	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-82.7	141.6	171.5	-69	-91.3	0	0	0	110.4
510	Y	42.7	Very low	41.3	Very low	78 Å²	78	80.4 Å²	80.4	31%	0.306	43%	0.426	S	S	.	.			trans	-131	134.1	178.6	-62.5	-92.6	0	0	0	109.6	Y476 A478 S508 N555	Y476-Y510 HydrophobicContact CE1-CD1 4.47Å; A478-Y510 HydrophobicContact CB-CE1 4.47Å; S508-Y510 VanDerWaalsContact O-CD2 3.27Å; S508-Y510 WeakPolarHBondContact O-CD2 3.35Å; S508-Y510 VanDerWaalsContact O-CE2 3.26Å; S508-Y510 WeakPolarHBondContact O-CE2 3.18Å; S508-Y510 WeakPolarHBondContact OG-CE2 3.37Å; S508-Y510 PolarHBondContact OG-OH 3.24Å; Y510-N555 HydrophobicContact CD1-CB 4.08Å; Y510-N555 HydrophobicContact CD2-CB 4.46Å; Y510-N555 WeakPolarHBondContact CD2-OD1 3.42Å; Y510-N555 HydrophobicContact CE1-CB 3.82Å; Y510-N555 HydrophobicContact CE2-CB 4.21Å; Y510-N555 VanDerWaalsContact CE2-CG 3.41Å; Y510-N555 VanDerWaalsContact CE2-ND2 3.31Å; Y510-N555 WeakPolarHBondContact CE2-ND2 3.41Å; Y510-N555 WeakPolarHBondContact CE2-OD1 3.25Å; Y510-N555 HydrophobicContact CG-CB 4.4Å
511	W	48.7	Very low	42.2	Very low	82 Å²	82	76.5 Å²	76.5	31%	0.311	40%	0.399	S	S	.	.			trans	-98.3	141.7	-177.2	-56.9	107.6	0	0	0	111.6	V594 N618	W511-V594 HydrophobicContact CD2-CG2 4.05Å; W511-V594 HydrophobicContact CE3-CB 4.36Å; W511-V594 HydrophobicContact CE3-CG2 3.9Å; W511-V594 HydrophobicContact CH2-CB 4.46Å; W511-V594 HydrophobicContact CH2-CG1 3.84Å; W511-V594 HydrophobicContact CH2-CG2 4.41Å; W511-V594 HydrophobicContact CZ2-CG1 4.37Å; W511-V594 HydrophobicContact CZ3-CB 4.13Å; W511-V594 HydrophobicContact CZ3-CG1 3.96Å; W511-V594 HydrophobicContact CZ3-CG2 4.1Å; W511-N618 WeakPolarHBondContact CZ2-O 3.01Å
512	P	45	Very low	42.8	Very low	34 Å²	34	76.2 Å²	76.2	22%	0.221	40%	0.398	C	S	.	.			trans	-65.3	140.6	172.3	29	-35.5	0	0	0	111	V593	P512-V593 HydrophobicContact CG-CB 3.94Å; P512-V593 HydrophobicContact CG-CG2 4.46Å
513	L	51	Low	43.3	Very low	20 Å²	20	76.6 Å²	76.6	11%	0.105	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.2	-174.1	-85.9	160	0	0	0	110.4	Y476 F535 L556 I590 L620	Y476-L513 HydrophobicContact CD2-CD1 4.28Å; Y476-L513 HydrophobicContact CE2-CD1 4.24Å; L513-F535 PolarHBondContact N-O 3.04Å; L513-F535 WeakPolarHBondContact O-CA 2.95Å; L513-F535 WeakPolarHBondContact O-CB 3.46Å; L513-F535 PolarHBondContact O-N 2.98Å; L513-L556 HydrophobicContact CD1-CD1 3.66Å; L513-I590 HydrophobicContact CD2-CG2 3.89Å; L513-L620 HydrophobicContact CD2-CD1 4.18Å; L513-L620 HydrophobicContact CD2-CD2 3.78Å
514	S	49.5	Very low	43.6	Very low	23 Å²	23	75.8 Å²	75.8	16%	0.161	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.8	173.7	65.7	0	0	0	0	111.3	W516 R591	S514-W516 PolarHBondContact OG-NE1 2.85Å; S514-R591 PolarHBondContact N-O 2.86Å; S514-R591 PolarHBondContact O-N 3.15Å
515	L	52.7	Low	43.9	Very low	4 Å²	4	71 Å²	71	2%	0.021	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108.3	-176.5	-163.8	93	0	0	0	110.5	I472 I474 A532 A533 I563 I588 I590	I472-L515 HydrophobicContact CD1-CD2 3.98Å; I474-L515 HydrophobicContact CD1-CD1 3.76Å; L515-A532 HydrophobicContact CD2-CB 4.34Å; L515-A532 PolarHBondContact O-N 3.48Å; L515-A533 CarbonylContact C-O 3.49Å; L515-A533 WeakPolarHBondContact CA-O 3.01Å; L515-A533 HydrophobicContact CB-CB 4.39Å; L515-A533 PolarHBondContact N-O 2.94Å; L515-A533 PolarHBondContact O-N 2.86Å; L515-A533 VanDerWaalsContact O-N 3.15Å; L515-A533 VanDerWaalsContact O-O 3.08Å; L515-I563 HydrophobicContact CD2-CD1 3.88Å; L515-I563 HydrophobicContact CD2-CG2 4.15Å; L515-I588 HydrophobicContact CD1-CG2 3.81Å; L515-I588 HydrophobicContact CG-CG2 4.1Å; L515-I590 HydrophobicContact CD1-CD1 4.18Å; L515-I590 HydrophobicContact CD1-CG1 3.86Å; L515-I590 HydrophobicContact CD1-CG2 4.44Å
516	W	52.1	Low	44.3	Very low	35 Å²	35	73.4 Å²	73.4	13%	0.133	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.9	178.9	-54.8	77.6	0	0	0	109.2	H434 S514 I529 T531 I588 Q589	H434-W516 AromaticContact CE1-CZ3 3.91Å; S514-W516 PolarHBondContact OG-NE1 2.85Å; W516-I529 HydrophobicContact CE3-CG2 3.76Å; W516-I529 HydrophobicContact CZ3-CG2 4.02Å; W516-T531 HydrophobicContact CD2-CG2 3.81Å; W516-T531 HydrophobicContact CE3-CG2 3.9Å; W516-T531 HydrophobicContact CG-CG2 4.36Å; W516-T531 HydrophobicContact CH2-CG2 4.2Å; W516-T531 WeakPolarHBondContact CH2-OG1 3.03Å; W516-T531 HydrophobicContact CZ2-CG2 4.1Å; W516-T531 HydrophobicContact CZ3-CG2 4.12Å; W516-T531 WeakPolarHBondContact CZ3-OG1 3.47Å; W516-I588 WeakPolarHBondContact O-CA 3.41Å; W516-Q589 HydrophobicContact CB-CB 4.24Å; W516-Q589 PolarHBondContact N-O 2.86Å; W516-Q589 PolarHBondContact O-N 2.83Å
517	L	53.5	Low	44.9	Very low	2 Å²	2	72.3 Å²	72.3	1%	0.01	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.2	175.1	-102.9	152.6	0	0	0	107.5	I472 A532 L565 V569 I586 I588 F646	I472-L517 HydrophobicContact CD1-CD1 3.47Å; I472-L517 VanDerWaalsContact CD1-CD1 3.47Å; I472-L517 HydrophobicContact CD1-CD2 4.41Å; I472-L517 HydrophobicContact CD1-CG 4.14Å; L517-A532 HydrophobicContact CB-CB 4.1Å; L517-A532 HydrophobicContact CD1-CB 3.43Å; L517-A532 VanDerWaalsContact CD1-CB 3.43Å; L517-A532 HydrophobicContact CG-CB 4.21Å; L517-L565 HydrophobicContact CD1-CD1 4.22Å; L517-L565 HydrophobicContact CD1-CD2 3.61Å; L517-V569 HydrophobicContact CB-CG1 4.46Å; L517-V569 HydrophobicContact CB-CG2 4.47Å; L517-V569 HydrophobicContact CD1-CG1 3.88Å; L517-I586 HydrophobicContact CD2-CG2 3.49Å; L517-I586 VanDerWaalsContact CD2-CG2 3.49Å; L517-I588 HydrophobicContact CD2-CG1 3.75Å; L517-I588 HydrophobicContact CG-CG1 4.18Å; L517-F646 HydrophobicContact CD2-CZ 4.33Å
518	H	53.5	Low	45.5	Very low	46 Å²	46	71.4 Å²	71.4	21%	0.213	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	158.5	177.6	60.5	112.2	0	0	0	110.8	V587	H518-V587 PolarHBondContact CD2-O 3.46Å; H518-V587 VanDerWaalsContact CE1-CG1 3.48Å; H518-V587 WeakPolarHBondContact CE1-CG1 3.38Å; H518-V587 PolarHBondContact N-O 2.8Å; H518-V587 VanDerWaalsContact NE2-CG1 3.28Å; H518-V587 WeakPolarHBondContact NE2-CG1 3.35Å; H518-V587 PolarHBondContact O-N 3.32Å; H518-V587 VanDerWaalsContact O-O 3.12Å
519	S	45.9	Very low	46	Very low	26 Å²	26	73.8 Å²	73.8	18%	0.182	38%	0.381	C	S	.	.			trans	-90.2	131.9	157.8	-162.9	0	0	0	0	107.3	I576 Q585	S519-I576 WeakPolarHBondContact OG-CD1 3.09Å; S519-Q585 PolarHBondContact OG-O 3.28Å
520	D	50.6	Low	46.5	Very low	65 Å²	65	70 Å²	70	35%	0.348	37%	0.365	S	S	.	.			trans	-99.8	85.8	173.1	-160.6	-9.2	0	0	0	107.7	K453 V587	K453-D520 WeakPolarHBondContact CE-OD2 3.43Å; K453-D520 IonicContact NZ-OD2 3.87Å; K453-D520 PolarHBondContact NZ-OD2 2.95Å; D520-V587 HydrophobicContact CB-CB 4.41Å; D520-V587 HydrophobicContact CB-CG2 3.52Å
521	Q	47.7	Very low	46.7	Very low	45 Å²	45	68.1 Å²	68.1	21%	0.21	36%	0.362	C	S	.	.			trans	-119.7	86.9	177.9	-79.5	-167.6	-33.3	0	0	111	N523	Q521-N523 VanDerWaalsContact C-N 3.3Å; Q521-N523 PolarHBondContact O-N 3.24Å
522	N	45.1	Very low	46.5	Very low	143 Å²	143	65 Å²	65	77%	0.765	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	44.2	157.6	-66.1	-11.7	0	0	0	115.6	I524	N522-I524 WeakPolarHBondContact O-CB 3.18Å; N522-I524 VanDerWaalsContact O-CG1 3.26Å; N522-I524 WeakPolarHBondContact O-CG1 3.16Å; N522-I524 PolarHBondContact O-N 3.01Å
523	N	42	Very low	46.3	Very low	175 Å²	175	64.2 Å²	64.2	94%	0.936	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	8.7	164	-108.4	-14.9	0	0	0	118	Q521	Q521-N523 VanDerWaalsContact C-N 3.3Å; Q521-N523 PolarHBondContact O-N 3.24Å
524	I	36.4	Very low	45.8	Very low	153 Å²	153	66.8 Å²	66.8	79%	0.785	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-19.6	-163.7	-73.9	167.2	0	0	0	114	N522	N522-I524 WeakPolarHBondContact O-CB 3.18Å; N522-I524 VanDerWaalsContact O-CG1 3.26Å; N522-I524 WeakPolarHBondContact O-CG1 3.16Å; N522-I524 PolarHBondContact O-N 3.01Å
525	S	37.5	Very low	45.5	Very low	58 Å²	58	69 Å²	69	41%	0.406	37%	0.37	S	S	.	.			trans	-92.2	120.6	-179	63.2	0	0	0	0	112.9	V527	S525-V527 PolarHBondContact O-N 2.88Å
526	N	38.5	Very low	44.7	Very low	170 Å²	170	74.1 Å²	74.1	91%	0.909	39%	0.394	S	S	*	.			trans	-70.5	47.9	174.6	-73.8	-37	0	0	0	113.6	D528	N526-D528 PolarHBondContact O-N 3.28Å
527	V	44.3	Very low	43.8	Very low	65 Å²	65	75.9 Å²	75.9	39%	0.394	41%	0.41	S	S	.	.			trans	-91.7	86	177.1	-171.3	0	0	0	0	107.6	S525 L572	S525-V527 PolarHBondContact O-N 2.88Å; V527-L572 HydrophobicContact CG1-CD1 3.54Å
528	D	44.3	Very low	42.8	Very low	84 Å²	84	81.9 Å²	81.9	45%	0.449	44%	0.442	S	S	.	.			trans	-46.2	137.2	-168.8	-99.2	-39.2	0	0	0	113.8	N526 Q530	N526-D528 PolarHBondContact O-N 3.28Å; D528-Q530 WeakPolarHBondContact O-CG 3.31Å; D528-Q530 PolarHBondContact O-N 2.87Å
529	I	46.3	Very low	41.9	Very low	104 Å²	104	83.4 Å²	83.4	53%	0.533	45%	0.451	S	S	.	.			trans	-55.7	126.2	-178.2	-59.5	167.4	0	0	0	110.4	W516	W516-I529 HydrophobicContact CE3-CG2 3.76Å; W516-I529 HydrophobicContact CZ3-CG2 4.02Å
530	Q	49	Very low	41.5	Very low	58 Å²	58	88.3 Å²	88.3	27%	0.271	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.5	-178.4	-75.6	165.6	28.7	0	0	111.6	D528 A532 P568 V569	D528-Q530 WeakPolarHBondContact O-CG 3.31Å; D528-Q530 PolarHBondContact O-N 2.87Å; Q530-A532 PolarHBondContact O-N 3.19Å; Q530-P568 PolarHBondContact OE1-O 3.08Å; Q530-V569 HydrophobicContact CB-CG2 4.45Å
531	T	46.7	Very low	40.7	Very low	39 Å²	39	91.2 Å²	91.2	24%	0.239	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	121.4	173.3	-31.9	0	0	0	0	110.1	W516 I534	W516-T531 HydrophobicContact CD2-CG2 3.81Å; W516-T531 HydrophobicContact CE3-CG2 3.9Å; W516-T531 HydrophobicContact CG-CG2 4.36Å; W516-T531 HydrophobicContact CH2-CG2 4.2Å; W516-T531 WeakPolarHBondContact CH2-OG1 3.03Å; W516-T531 HydrophobicContact CZ2-CG2 4.1Å; W516-T531 HydrophobicContact CZ3-CG2 4.12Å; W516-T531 WeakPolarHBondContact CZ3-OG1 3.47Å; T531-I534 HydrophobicContact CG2-CD1 3.97Å; T531-I534 HydrophobicContact CG2-CG1 3.49Å; T531-I534 VanDerWaalsContact CG2-CG1 3.49Å
532	A	45.2	Very low	39.8	Very low	16 Å²	16	93.8 Å²	93.8	13%	0.132	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-40.3	-179.2	0	0	0	0	0	112.1	L515 L517 Q530 V569	L515-A532 HydrophobicContact CD2-CB 4.34Å; L515-A532 PolarHBondContact O-N 3.48Å; L517-A532 HydrophobicContact CB-CB 4.1Å; L517-A532 HydrophobicContact CD1-CB 3.43Å; L517-A532 VanDerWaalsContact CD1-CB 3.43Å; L517-A532 HydrophobicContact CG-CB 4.21Å; Q530-A532 PolarHBondContact O-N 3.19Å; A532-V569 HydrophobicContact CB-CG2 4.38Å
533	A	40.2	Very low	39.1	Very low	18 Å²	18	92.3 Å²	92.3	15%	0.149	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	149.8	172.1	0	0	0	0	0	111.1	L515 F535 I563	L515-A533 CarbonylContact C-O 3.49Å; L515-A533 WeakPolarHBondContact CA-O 3.01Å; L515-A533 HydrophobicContact CB-CB 4.39Å; L515-A533 PolarHBondContact N-O 2.94Å; L515-A533 PolarHBondContact O-N 2.86Å; L515-A533 VanDerWaalsContact O-N 3.15Å; L515-A533 VanDerWaalsContact O-O 3.08Å; A533-F535 HydrophobicContact CB-CD2 4.31Å; A533-F535 HydrophobicContact CB-CE2 3.47Å; A533-F535 VanDerWaalsContact CB-CE2 3.47Å; A533-F535 HydrophobicContact CB-CZ 3.72Å; A533-I563 HydrophobicContact CB-CG2 3.78Å
534	I	41	Very low	38.5	Very low	73 Å²	73	89.7 Å²	89.7	37%	0.374	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.6	169.5	-57.8	177.1	0	0	0	106.7	T531 E536	T531-I534 HydrophobicContact CG2-CD1 3.97Å; T531-I534 HydrophobicContact CG2-CG1 3.49Å; T531-I534 VanDerWaalsContact CG2-CG1 3.49Å; I534-E536 HydrophobicContact CG2-CG 3.8Å; I534-E536 WeakPolarHBondContact CG2-OE1 3.37Å
535	F	42.2	Very low	38.2	Very low	70 Å²	70	87.5 Å²	87.5	31%	0.307	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	89.8	174.7	-55.5	-84.1	0	0	0	108.8	L513 A533 I563	L513-F535 PolarHBondContact N-O 3.04Å; L513-F535 WeakPolarHBondContact O-CA 2.95Å; L513-F535 WeakPolarHBondContact O-CB 3.46Å; L513-F535 PolarHBondContact O-N 2.98Å; A533-F535 HydrophobicContact CB-CD2 4.31Å; A533-F535 HydrophobicContact CB-CE2 3.47Å; A533-F535 VanDerWaalsContact CB-CE2 3.47Å; A533-F535 HydrophobicContact CB-CZ 3.72Å; F535-I563 HydrophobicContact CE2-CD1 3.88Å; F535-I563 HydrophobicContact CE2-CG1 4.4Å; F535-I563 HydrophobicContact CZ-CD1 4.14Å; F535-I563 HydrophobicContact CZ-CG1 4.17Å
536	E	35.9	Very low	37.8	Very low	112 Å²	112	90.8 Å²	90.8	52%	0.523	48%	0.483	S	S	.	.			trans	-99	142.5	172.1	-75.7	164.5	-163.7	0	0	109.3	I534	I534-E536 HydrophobicContact CG2-CG 3.8Å; I534-E536 WeakPolarHBondContact CG2-OE1 3.37Å
537	P	34.4	Very low	37.3	Very low	72 Å²	72	88.9 Å²	88.9	47%	0.468	48%	0.483	S	S	.	.			trans	-73.2	128.5	168.3	29.8	-31.9	0	0	0	110	N539	P537-N539 PolarHBondContact O-N 3.41Å
538	D	33.1	Very low	36.4	Very low	128 Å²	128	88.4 Å²	88.4	68%	0.684	49%	0.492	S	S	*	.	S	Bend	trans	-62.2	-0.8	-173	-71.7	-53.2	0	0	0	116
539	N	33.7	Very low	35.7	Very low	77 Å²	77	90.2 Å²	90.2	41%	0.412	50%	0.496	S	S	.	.			trans	-150.9	127.7	-175.1	-166.6	1.2	0	0	0	112.9	P537 H541	P537-N539 PolarHBondContact O-N 3.41Å; N539-H541 PolarHBondContact ND2-O 3.16Å; N539-H541 PolarHBondContact OD1-N 2.94Å
540	T	37.4	Very low	34.8	Very low	129 Å²	129	87.7 Å²	87.7	79%	0.791	48%	0.483	S	S	*	.	S	Bend	trans	-87.5	-4.3	176.4	49.2	0	0	0	0	113.8
541	H	33.6	Very low	33.7	Very low	126 Å²	126	87.9 Å²	87.9	58%	0.583	49%	0.491	S	S	*	.	S	Bend	trans	-113.8	115.9	-179.2	-65.1	-71.8	0	0	0	112.2	N539 I543	N539-H541 PolarHBondContact ND2-O 3.16Å; N539-H541 PolarHBondContact OD1-N 2.94Å; H541-I543 VanDerWaalsContact C-N 3.34Å; H541-I543 HydrophobicContact CB-CG1 4.46Å; H541-I543 PolarHBondContact O-N 3.46Å
542	C	29.7	Very low	32.8	Very low	100 Å²	100	89.8 Å²	89.8	68%	0.676	51%	0.506	S	S	*	.			trans	-68.1	86.1	168	-82.8	0	0	0	0	111.2	C495 L544	C495-C542 VanDerWaalsContact SG-CB 3.58Å; C495-C542 PolarHBondContact SG-O 2.96Å; C542-L544 PolarHBondContact O-N 2.92Å
543	I	29	Very low	32	Very low	112 Å²	112	94.1 Å²	94.1	57%	0.574	53%	0.526	S	S	*	.			trans	-83.1	102.9	169.1	-56.3	176	0	0	0	108	H541 Q545	H541-I543 VanDerWaalsContact C-N 3.34Å; H541-I543 HydrophobicContact CB-CG1 4.46Å; H541-I543 PolarHBondContact O-N 3.46Å; I543-Q545 HydrophobicContact CG2-CG 3.93Å; I543-Q545 PolarHBondContact O-N 3.47Å
544	L	30.5	Very low	31.4	Very low	120 Å²	120	100.4 Å²	100.4	63%	0.628	55%	0.554	S	S	*	*			trans	-74.6	76.6	179.3	-138.6	172.1	0	0	0	110.1	C495 I496 C542 K546	C495-L544 WeakPolarHBondContact O-CB 2.98Å; C495-L544 VanDerWaalsContact O-CD1 3.3Å; C495-L544 WeakPolarHBondContact O-CD1 3.39Å; I496-L544 HydrophobicContact CG1-CD1 4.49Å; C542-L544 PolarHBondContact O-N 2.92Å; L544-K546 PolarHBondContact O-N 3.3Å
545	Q	28.7	Very low	31.3	Very low	106 Å²	106	99.8 Å²	99.8	50%	0.495	55%	0.551	S	S	.	*			trans	-66.8	92.2	180	-77.5	-173.2	-31.1	0	0	111.3	I543 S547 N550 S551	I543-Q545 HydrophobicContact CG2-CG 3.93Å; I543-Q545 PolarHBondContact O-N 3.47Å; Q545-S547 PolarHBondContact O-N 3.28Å; Q545-N550 PolarHBondContact OE1-O 2.92Å; Q545-S551 PolarHBondContact OE1-OG 2.97Å
546	K	30.4	Very low	31.3	Very low	127 Å²	127	98 Å²	98	55%	0.552	55%	0.545	S	S	*	.			trans	-47.2	122	162.3	-85	179.7	161.9	-176.2	0	110.5	T498 T499 L544	T498-K546 PolarHBondContact O-NZ 2.94Å; T499-K546 PolarHBondContact OG1-NZ 2.87Å; L544-K546 PolarHBondContact O-N 3.3Å
547	S	27.6	Very low	31.6	Very low	130 Å²	130	96.6 Å²	96.6	91%	0.909	55%	0.545	S	S	*	.	S	Bend	trans	44.7	86.6	162.8	-162.1	0	0	0	0	116.6	Q545	Q545-S547 PolarHBondContact O-N 3.28Å
548	G	25.9	Very low	32.3	Very low	56 Å²	56	97.6 Å²	97.6	58%	0.577	55%	0.547	S	S	*	.	S	Bend	trans	127.9	92	152.4	0	0	0	0	0	117.5
549	K	29	Very low	32.9	Very low	121 Å²	121	92.7 Å²	92.7	53%	0.526	53%	0.526	S	S	.	.			trans	66.6	119.9	151.9	-56.2	-169.4	178.5	-141.7	0	118.2	D887 R890	K549-D887 WeakPolarHBondContact CE-OD2 3.32Å; K549-D887 IonicContact NZ-OD2 3.22Å; K549-D887 PolarHBondContact NZ-OD2 3.46Å; K549-R890 HydrophobicContact CD-CG 4.2Å; K549-R890 PolarHBondContact O-NH2 2.92Å
550	N	27.6	Very low	34	Very low	51 Å²	51	94.3 Å²	94.3	27%	0.273	53%	0.527	S	S	.	.			trans	73.8	97.2	159.1	-51.1	33.8	0	0	0	118.2	Q545 A889 R890	Q545-N550 PolarHBondContact OE1-O 2.92Å; N550-A889 WeakPolarHBondContact ND2-CA 3.34Å; N550-A889 PolarHBondContact ND2-O 3.32Å; N550-A889 VanDerWaalsContact ND2-O 3.1Å; N550-R890 VanDerWaalsContact CG-NE 3.33Å; N550-R890 VanDerWaalsContact ND2-CB 3.26Å; N550-R890 WeakPolarHBondContact ND2-CB 3.49Å; N550-R890 WeakPolarHBondContact ND2-CG 3.43Å; N550-R890 PolarHBondContact ND2-N 2.91Å; N550-R890 VanDerWaalsContact ND2-N 3.16Å; N550-R890 PolarHBondContact ND2-NE 3.36Å; N550-R890 WeakPolarHBondContact OD1-CG 3.38Å; N550-R890 PolarHBondContact OD1-NE 2.89Å
551	S	26.5	Very low	34.7	Very low	63 Å²	63	90.5 Å²	90.5	44%	0.441	50%	0.499	S	S	.	.			trans	-135.5	148.5	133.3	40.5	0	0	0	0	108.8	Q545 I553	Q545-S551 PolarHBondContact OE1-OG 2.97Å; S551-I553 PolarHBondContact O-N 2.85Å
552	S	26.4	Very low	35.8	Very low	78 Å²	78	86.8 Å²	86.8	55%	0.545	48%	0.482	S	S	.	.			trans	-76.9	119.2	-170.7	44.7	0	0	0	0	112
553	I	29.5	Very low	37.2	Very low	107 Å²	107	82.7 Å²	82.7	55%	0.549	45%	0.453	S	S	.	.			trans	-137	104.6	167.6	-40.1	179.3	0	0	0	109.2	S551 N555	S551-I553 PolarHBondContact O-N 2.85Å; I553-N555 WeakPolarHBondContact CG2-OD1 3.45Å; I553-N555 PolarHBondContact O-N 3.15Å
554	M	28.1	Very low	38.5	Very low	151 Å²	151	81.6 Å²	81.6	74%	0.744	45%	0.453	S	S	*	.			trans	-82.4	65.2	172.2	-172.6	165.6	165.3	0	0	110.2
555	N	38	Very low	40.1	Very low	59 Å²	59	76.4 Å²	76.4	32%	0.316	43%	0.426	S	S	.	.			trans	-58.7	137.5	170.4	-72.3	-25.9	0	0	0	109.9	Y510 I553 P557	Y510-N555 HydrophobicContact CD1-CB 4.08Å; Y510-N555 HydrophobicContact CD2-CB 4.46Å; Y510-N555 WeakPolarHBondContact CD2-OD1 3.42Å; Y510-N555 HydrophobicContact CE1-CB 3.82Å; Y510-N555 HydrophobicContact CE2-CB 4.21Å; Y510-N555 VanDerWaalsContact CE2-CG 3.41Å; Y510-N555 VanDerWaalsContact CE2-ND2 3.31Å; Y510-N555 WeakPolarHBondContact CE2-ND2 3.41Å; Y510-N555 WeakPolarHBondContact CE2-OD1 3.25Å; Y510-N555 HydrophobicContact CG-CB 4.4Å; I553-N555 WeakPolarHBondContact CG2-OD1 3.45Å; I553-N555 PolarHBondContact O-N 3.15Å; N555-P557 WeakPolarHBondContact O-CD 3.45Å
556	L	41.9	Very low	41.4	Very low	33 Å²	33	73.6 Å²	73.6	17%	0.173	42%	0.418	C	S	.	.			trans	-70.5	112.1	162.5	-68.4	170.6	0	0	0	107.8	Y476 L513 F561	Y476-L556 HydrophobicContact CD1-CB 3.61Å; Y476-L556 HydrophobicContact CD1-CD1 4.46Å; Y476-L556 HydrophobicContact CD2-CD1 4.34Å; Y476-L556 HydrophobicContact CE1-CB 3.88Å; Y476-L556 WeakPolarHBondContact CE1-O 3.5Å; Y476-L556 HydrophobicContact CG-CB 4.16Å; Y476-L556 HydrophobicContact CG-CD1 4.23Å; L513-L556 HydrophobicContact CD1-CD1 3.66Å; L556-F561 HydrophobicContact CB-CE1 4.45Å; L556-F561 HydrophobicContact CB-CE2 4.38Å; L556-F561 HydrophobicContact CB-CZ 3.9Å; L556-F561 HydrophobicContact CD2-CD1 3.83Å; L556-F561 HydrophobicContact CD2-CE1 3.46Å; L556-F561 VanDerWaalsContact CD2-CE1 3.46Å; L556-F561 HydrophobicContact CD2-CE2 4.28Å; L556-F561 HydrophobicContact CD2-CG 4.37Å; L556-F561 HydrophobicContact CD2-CZ 3.72Å; L556-F561 HydrophobicContact CG-CZ 4.41Å
557	P	43.2	Very low	42.8	Very low	83 Å²	83	73.3 Å²	73.3	54%	0.539	42%	0.419	S	S	.	.			trans	-63.3	158.9	169.1	26.9	-36.5	0	0	0	111.2	N555 G559 F561	N555-P557 WeakPolarHBondContact O-CD 3.45Å; P557-G559 PolarHBondContact O-N 2.85Å; P557-F561 HydrophobicContact CG-CE1 4.26Å; P557-F561 HydrophobicContact CG-CZ 3.82Å; P557-F561 VanDerWaalsContact O-CE2 3.27Å; P557-F561 WeakPolarHBondContact O-CE2 3.49Å; P557-F561 WeakPolarHBondContact O-CZ 3.26Å
558	N	48.6	Very low	44.3	Very low	93 Å²	93	70.3 Å²	70.3	50%	0.497	40%	0.396	S	S	.	.	S	Bend	trans	-65.1	123	170.9	-68.5	11.4	0	0	0	109	Y476 A478	Y476-N558 CarbonylContact O-C 3.49Å; Y476-N558 VanDerWaalsContact O-CA 3.32Å; Y476-N558 WeakPolarHBondContact O-CA 3.48Å; A478-N558 WeakPolarHBondContact CB-OD1 3.46Å; A478-N558 PolarHBondContact N-OD1 3.05Å; A478-N558 PolarHBondContact O-ND2 3.43Å
559	G	46.4	Very low	46.1	Very low	24 Å²	24	67.7 Å²	67.7	25%	0.247	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.9	-166.9	-175.4	0	0	0	0	0	115.4	R475 Y476 P557	R475-G559 WeakPolarHBondContact CA-O 3.5Å; Y476-G559 PolarHBondContact N-O 2.88Å; Y476-G559 PolarHBondContact O-N 3.48Å; P557-G559 PolarHBondContact O-N 2.85Å
560	W	56.7	Low	48	Very low	111 Å²	111	62.1 Å²	62.1	42%	0.42	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.8	179.9	-73.1	102.2	0	0	0	112.1	R473 I474 R475	R473-W560 HydrophobicContact CG-CE3 3.57Å; R473-W560 HydrophobicContact CG-CZ3 3.87Å; I474-W560 CarbonylContact O-C 3.6Å; I474-W560 WeakPolarHBondContact O-CA 3.45Å; R475-W560 HydrophobicContact CB-CD2 3.93Å; R475-W560 HydrophobicContact CB-CE3 3.72Å; R475-W560 HydrophobicContact CB-CH2 4.1Å; R475-W560 HydrophobicContact CB-CZ2 4.27Å; R475-W560 HydrophobicContact CB-CZ3 3.81Å; R475-W560 HydrophobicContact CG-CD2 4.3Å
561	F	51.2	Low	49.9	Very low	50 Å²	50	66.1 Å²	66.1	22%	0.219	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.4	179.3	-64.2	-89.3	0	0	0	110.7	R473 I474 L556 P557	R473-F561 CarbonylContact C-O 3.42Å; R473-F561 VanDerWaalsContact CA-O 3.29Å; R473-F561 WeakPolarHBondContact CA-O 3.34Å; I474-F561 PolarHBondContact N-O 3.07Å; I474-F561 PolarHBondContact O-N 3.28Å; L556-F561 HydrophobicContact CB-CE1 4.45Å; L556-F561 HydrophobicContact CB-CE2 4.38Å; L556-F561 HydrophobicContact CB-CZ 3.9Å; L556-F561 HydrophobicContact CD2-CD1 3.83Å; L556-F561 HydrophobicContact CD2-CE1 3.46Å; L556-F561 VanDerWaalsContact CD2-CE1 3.46Å; L556-F561 HydrophobicContact CD2-CE2 4.28Å; L556-F561 HydrophobicContact CD2-CG 4.37Å; L556-F561 HydrophobicContact CD2-CZ 3.72Å; L556-F561 HydrophobicContact CG-CZ 4.41Å; P557-F561 HydrophobicContact CG-CE1 4.26Å; P557-F561 HydrophobicContact CG-CZ 3.82Å; P557-F561 VanDerWaalsContact O-CE2 3.27Å; P557-F561 WeakPolarHBondContact O-CE2 3.49Å; P557-F561 WeakPolarHBondContact O-CZ 3.26Å
562	H	57.5	Low	51.8	Low	48 Å²	48	63.8 Å²	63.8	22%	0.222	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.2	170.4	-82.3	-94.2	0	0	0	109.1	S471 I472 P564	S471-H562 PolarHBondContact OG-ND1 3.37Å; I472-H562 CarbonylContact O-C 3.58Å; I472-H562 WeakPolarHBondContact O-CA 3.45Å; H562-P564 WeakPolarHBondContact O-CD 3.48Å
563	I	59.3	Low	54	Low	14 Å²	14	60.2 Å²	60.2	7%	0.072	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	105.5	-179.6	-57.8	174.3	0	0	0	107.2	S471 I472 I474 L515 A533 F535	S471-I563 CarbonylContact C-O 3.4Å; S471-I563 WeakPolarHBondContact CA-O 3.45Å; S471-I563 WeakPolarHBondContact CB-O 3.46Å; I472-I563 PolarHBondContact N-O 2.84Å; I472-I563 PolarHBondContact O-N 2.94Å; I474-I563 HydrophobicContact CD1-CD1 3.71Å; I474-I563 HydrophobicContact CG1-CD1 4.32Å; L515-I563 HydrophobicContact CD2-CD1 3.88Å; L515-I563 HydrophobicContact CD2-CG2 4.15Å; A533-I563 HydrophobicContact CB-CG2 3.78Å; F535-I563 HydrophobicContact CE2-CD1 3.88Å; F535-I563 HydrophobicContact CE2-CG1 4.4Å; F535-I563 HydrophobicContact CZ-CD1 4.14Å; F535-I563 HydrophobicContact CZ-CG1 4.17Å
564	P	56.5	Low	56	Low	89 Å²	89	57.1 Å²	57.1	58%	0.578	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.7	178.1	29.5	-34.2	0	0	0	110.2	H562	H562-P564 WeakPolarHBondContact O-CD 3.48Å
565	L	63.5	Low	58.1	Low	11 Å²	11	53 Å²	53	6%	0.058	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-83.6	137.2	-179.2	-53.5	-168.4	0	0	0	110.7	A470 I472 L517 V569 L570 I573 F646	A470-L565 HydrophobicContact CB-CB 4.22Å; A470-L565 HydrophobicContact CB-CD1 3.72Å; A470-L565 HydrophobicContact CB-CG 4Å; A470-L565 PolarHBondContact O-N 3.06Å; I472-L565 HydrophobicContact CD1-CD2 3.79Å; I472-L565 HydrophobicContact CG1-CD2 3.99Å; L517-L565 HydrophobicContact CD1-CD1 4.22Å; L517-L565 HydrophobicContact CD1-CD2 3.61Å; L565-V569 HydrophobicContact CB-CB 4.28Å; L565-V569 HydrophobicContact CB-CG1 3.93Å; L565-V569 HydrophobicContact CD1-CG1 3.81Å; L565-V569 HydrophobicContact CG-CG1 4.3Å; L565-L570 HydrophobicContact CB-CD2 4.09Å; L565-I573 HydrophobicContact CD1-CD1 3.81Å; L565-F646 HydrophobicContact CD1-CD1 4.05Å; L565-F646 HydrophobicContact CD1-CE1 3.63Å
566	S	56.3	Low	59.7	Low	46 Å²	46	50.4 Å²	50.4	32%	0.322	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-70.6	154.7	179.7	63.3	0	0	0	0	111.4	P568 V569 L570	S566-P568 VanDerWaalsContact C-CD 3.42Å; S566-P568 VanDerWaalsContact C-N 3.3Å; S566-V569 WeakPolarHBondContact O-CA 3.42Å; S566-V569 WeakPolarHBondContact O-CB 3.37Å; S566-V569 PolarHBondContact O-N 3.26Å; S566-L570 PolarHBondContact O-N 3.32Å
567	Q	59.6	Low	61.2	Low	122 Å²	122	49.9 Å²	49.9	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-53.6	-37.1	-178.9	-167	65.7	47.7	0	0	114.4	L570 Y571	Q567-L570 PolarHBondContact O-N 2.99Å; Q567-Y571 PolarHBondContact O-N 2.78Å
568	P	59.8	Low	62.6	Low	67 Å²	67	53.4 Å²	53.4	44%	0.435	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-42.1	172.5	-26.6	38.5	0	0	0	113.4	Q530 S566 L570 Y571 L572	Q530-P568 PolarHBondContact OE1-O 3.08Å; S566-P568 VanDerWaalsContact C-CD 3.42Å; S566-P568 VanDerWaalsContact C-N 3.3Å; P568-L570 VanDerWaalsContact C-N 3.35Å; P568-L570 PolarHBondContact O-N 3.2Å; P568-Y571 WeakPolarHBondContact O-CB 3.48Å; P568-Y571 PolarHBondContact O-N 3.21Å; P568-L572 PolarHBondContact O-N 3.04Å
569	V	62.6	Low	63.6	Low	1 Å²	1	52 Å²	52	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-36.1	174.4	174.2	0	0	0	0	111.4	L517 Q530 A532 L565 S566 Y571 L572 I573	L517-V569 HydrophobicContact CB-CG1 4.46Å; L517-V569 HydrophobicContact CB-CG2 4.47Å; L517-V569 HydrophobicContact CD1-CG1 3.88Å; Q530-V569 HydrophobicContact CB-CG2 4.45Å; A532-V569 HydrophobicContact CB-CG2 4.38Å; L565-V569 HydrophobicContact CB-CB 4.28Å; L565-V569 HydrophobicContact CB-CG1 3.93Å; L565-V569 HydrophobicContact CD1-CG1 3.81Å; L565-V569 HydrophobicContact CG-CG1 4.3Å; S566-V569 WeakPolarHBondContact O-CA 3.42Å; S566-V569 WeakPolarHBondContact O-CB 3.37Å; S566-V569 PolarHBondContact O-N 3.26Å; V569-Y571 VanDerWaalsContact C-N 3.32Å; V569-Y571 PolarHBondContact O-N 3.03Å; V569-L572 WeakPolarHBondContact O-CB 3.27Å; V569-L572 PolarHBondContact O-N 3Å; V569-I573 HydrophobicContact CG1-CD1 4.23Å; V569-I573 VanDerWaalsContact O-CG1 3.27Å; V569-I573 WeakPolarHBondContact O-CG1 3.49Å; V569-I573 PolarHBondContact O-N 3.35Å
570	L	68.6	Low	64.2	Low	3 Å²	3	57.5 Å²	57.5	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-40.7	173	-59.9	179.5	0	0	0	111.4	L467 A470 L565 S566 Q567 P568 I573 E574	L467-L570 HydrophobicContact CD2-CB 4.2Å; L467-L570 HydrophobicContact CD2-CD2 4.04Å; L467-L570 HydrophobicContact CG-CD2 4.22Å; A470-L570 HydrophobicContact CB-CD2 3.51Å; L565-L570 HydrophobicContact CB-CD2 4.09Å; S566-L570 PolarHBondContact O-N 3.32Å; Q567-L570 PolarHBondContact O-N 2.99Å; P568-L570 VanDerWaalsContact C-N 3.35Å; P568-L570 PolarHBondContact O-N 3.2Å; L570-I573 PolarHBondContact O-N 2.7Å; L570-E574 PolarHBondContact O-N 2.79Å
571	Y	67.4	Low	64.5	Low	135 Å²	135	56.6 Å²	56.6	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-40	175.8	-178	-110.7	0	0	0	112.3	Q567 P568 V569 I573 E574 Q575	Q567-Y571 PolarHBondContact O-N 2.78Å; P568-Y571 WeakPolarHBondContact O-CB 3.48Å; P568-Y571 PolarHBondContact O-N 3.21Å; V569-Y571 VanDerWaalsContact C-N 3.32Å; V569-Y571 PolarHBondContact O-N 3.03Å; Y571-I573 VanDerWaalsContact C-N 3.32Å; Y571-I573 PolarHBondContact O-N 3.07Å; Y571-E574 PolarHBondContact O-N 2.82Å; Y571-Q575 HydrophobicContact CD1-CG 4.45Å; Y571-Q575 HydrophobicContact CE1-CG 4.05Å; Y571-Q575 VanDerWaalsContact CE1-NE2 3.32Å; Y571-Q575 HydrophobicContact CE2-CG 4.38Å; Y571-Q575 PolarHBondContact O-N 3.09Å; Y571-Q575 PolarHBondContact OH-NE2 2.03Å; Y571-Q575 VanDerWaalsContact OH-NE2 3.16Å
572	L	67.9	Low	65	Low	15 Å²	15	59.9 Å²	59.9	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-57.1	-43.8	171	176.5	62.4	0	0	0	111.7	V527 P568 V569 Q575 I576	V527-L572 HydrophobicContact CG1-CD1 3.54Å; P568-L572 PolarHBondContact O-N 3.04Å; V569-L572 WeakPolarHBondContact O-CB 3.27Å; V569-L572 PolarHBondContact O-N 3Å; L572-Q575 PolarHBondContact O-N 3.28Å; L572-I576 HydrophobicContact CD1-CD1 4.05Å; L572-I576 HydrophobicContact CD1-CG1 4.28Å; L572-I576 HydrophobicContact CG-CD1 3.94Å; L572-I576 VanDerWaalsContact O-CG1 3.26Å; L572-I576 WeakPolarHBondContact O-CG1 3.45Å; L572-I576 PolarHBondContact O-N 2.03Å
573	I	70.7	Confident	65.3	Low	2 Å²	2	62.8 Å²	62.8	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-38.9	176.7	-64	170.3	0	0	0	111.5	L458 I461 L467 L565 V569 L570 Y571 N577 I586 F646 Y648	L458-I573 HydrophobicContact CD1-CG2 4.06Å; I461-I573 HydrophobicContact CD1-CG2 4.06Å; L467-I573 HydrophobicContact CD2-CB 3.73Å; L467-I573 HydrophobicContact CD2-CD1 4.47Å; L467-I573 HydrophobicContact CD2-CG2 3.55Å; L565-I573 HydrophobicContact CD1-CD1 3.81Å; V569-I573 HydrophobicContact CG1-CD1 4.23Å; V569-I573 VanDerWaalsContact O-CG1 3.27Å; V569-I573 WeakPolarHBondContact O-CG1 3.49Å; V569-I573 PolarHBondContact O-N 3.35Å; L570-I573 PolarHBondContact O-N 2.7Å; Y571-I573 VanDerWaalsContact C-N 3.32Å; Y571-I573 PolarHBondContact O-N 3.07Å; I573-N577 VanDerWaalsContact O-CB 3.25Å; I573-N577 WeakPolarHBondContact O-CB 3.26Å; I573-N577 PolarHBondContact O-N 3.03Å; I573-I586 HydrophobicContact CD1-CD1 4.5Å; I573-I586 HydrophobicContact CG1-CD1 3.86Å; I573-F646 HydrophobicContact CD1-CD1 4.35Å; I573-F646 HydrophobicContact CD1-CE1 3.99Å; I573-Y648 HydrophobicContact CD1-CE1 4.38Å; I573-Y648 HydrophobicContact CG2-CE1 4.24Å; I573-Y648 WeakPolarHBondContact CG2-OH 3.42Å
574	E	72.6	Confident	65.6	Low	43 Å²	43	62.9 Å²	62.9	20%	0.201	33%	0.333	C	S	.	.	H	α-helix	trans	-62.6	-43.2	173.1	-71.1	-173.3	136.3	0	0	111.1	L467 L570 Y571 N577 E578	L467-E574 HydrophobicContact CB-CG 3.65Å; L467-E574 WeakPolarHBondContact CB-OE1 2.94Å; L467-E574 HydrophobicContact CD2-CG 4.16Å; L467-E574 HydrophobicContact CG-CG 4.47Å; L467-E574 PolarHBondContact N-OE1 2.88Å; L467-E574 VanDerWaalsContact N-OE1 3.08Å; L570-E574 PolarHBondContact O-N 2.79Å; Y571-E574 PolarHBondContact O-N 2.82Å; E574-N577 WeakPolarHBondContact O-CB 3.42Å; E574-N577 PolarHBondContact O-N 3.26Å; E574-E578 WeakPolarHBondContact O-CG 3.42Å; E574-E578 PolarHBondContact O-N 3.12Å
575	Q	72.3	Confident	66.1	Low	65 Å²	65	61.2 Å²	61.2	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-47.7	176.6	-73.4	-171.4	-37.1	0	0	113.5	Y571 L572 N577 E578 Q579	Y571-Q575 HydrophobicContact CD1-CG 4.45Å; Y571-Q575 HydrophobicContact CE1-CG 4.05Å; Y571-Q575 VanDerWaalsContact CE1-NE2 3.32Å; Y571-Q575 HydrophobicContact CE2-CG 4.38Å; Y571-Q575 PolarHBondContact O-N 3.09Å; Y571-Q575 PolarHBondContact OH-NE2 2.03Å; Y571-Q575 VanDerWaalsContact OH-NE2 3.16Å; L572-Q575 PolarHBondContact O-N 3.28Å; Q575-N577 PolarHBondContact O-N 2.8Å; Q575-E578 PolarHBondContact O-N 2.91Å; Q575-Q579 PolarHBondContact O-N 3.33Å
576	I	71.6	Confident	66.2	Low	3 Å²	3	60.9 Å²	60.9	2%	0.015	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-32.2	176.5	-59.6	160.6	0	0	0	110.4	L458 S519 L572 K584 I586	L458-I576 HydrophobicContact CD2-CB 4.06Å; L458-I576 HydrophobicContact CD2-CG2 3.74Å; S519-I576 WeakPolarHBondContact OG-CD1 3.09Å; L572-I576 HydrophobicContact CD1-CD1 4.05Å; L572-I576 HydrophobicContact CD1-CG1 4.28Å; L572-I576 HydrophobicContact CG-CD1 3.94Å; L572-I576 VanDerWaalsContact O-CG1 3.26Å; L572-I576 WeakPolarHBondContact O-CG1 3.45Å; L572-I576 PolarHBondContact O-N 2.03Å; I576-K584 HydrophobicContact CG2-CB 4.03Å; I576-K584 WeakPolarHBondContact O-CD 3.48Å; I576-I586 HydrophobicContact CD1-CD1 4.31Å; I576-I586 HydrophobicContact CD1-CG1 3.67Å
577	N	74.1	Confident	66.7	Low	23 Å²	23	58.7 Å²	58.7	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-70.6	-37.7	177.3	-177	69.7	0	0	0	113.6	L458 I461 I573 E574 Q575 Q579 K584	L458-N577 HydrophobicContact CD2-CB 3.95Å; I461-N577 PolarHBondContact N-OD1 2.75Å; I461-N577 PolarHBondContact O-ND2 3.23Å; I461-N577 PolarHBondContact O-OD1 2.96Å; I573-N577 VanDerWaalsContact O-CB 3.25Å; I573-N577 WeakPolarHBondContact O-CB 3.26Å; I573-N577 PolarHBondContact O-N 3.03Å; E574-N577 WeakPolarHBondContact O-CB 3.42Å; E574-N577 PolarHBondContact O-N 3.26Å; Q575-N577 PolarHBondContact O-N 2.8Å; N577-Q579 PolarHBondContact O-N 3.16Å; N577-K584 PolarHBondContact O-NZ 2.75Å
578	E	72.1	Confident	66.9	Low	157 Å²	157	53 Å²	53	73%	0.734	28%	0.275	S	S	*	.	H	α-helix	trans	-68.2	-20.2	179.1	-75.8	-178.8	165.5	0	0	113.5	E574 Q575	E574-E578 WeakPolarHBondContact O-CG 3.42Å; E574-E578 PolarHBondContact O-N 3.12Å; Q575-E578 PolarHBondContact O-N 2.91Å
579	Q	69.4	Low	67.1	Low	64 Å²	64	51.1 Å²	51.1	30%	0.299	26%	0.26	S	S	.	.	S	Bend	trans	-64.4	149.7	175.2	-66.9	167.4	-18.4	0	0	112.3	Q575 N577 K584	Q575-Q579 PolarHBondContact O-N 3.33Å; N577-Q579 PolarHBondContact O-N 3.16Å; Q579-K584 WeakPolarHBondContact O-CE 3.49Å; Q579-K584 PolarHBondContact O-NZ 3.46Å
580	T	58.6	Low	67.1	Low	139 Å²	139	52 Å²	52	85%	0.853	26%	0.264	S	S	*	.			trans	-86.4	-12.3	-177	45	0	0	0	0	114.6
581	D	63.7	Low	66.7	Low	92 Å²	92	54.4 Å²	54.4	49%	0.492	27%	0.273	S	S	.	.			trans	-68.9	145	-171.6	-64	-15.2	0	0	0	112.3	N583 K584	D581-N583 PolarHBondContact O-N 3.1Å; D581-K584 WeakPolarHBondContact O-CE 3.41Å; D581-K584 VanDerWaalsContact O-CG 3.29Å; D581-K584 WeakPolarHBondContact O-CG 3.44Å
582	T	60.7	Low	66.2	Low	118 Å²	118	48 Å²	48	72%	0.724	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-17.7	174.9	52.9	0	0	0	0	113.1
583	N	63.8	Low	65.3	Low	109 Å²	109	49.2 Å²	49.2	58%	0.583	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	39.5	-168.7	-62.9	7.6	0	0	0	111.4	D581 Q585	D581-N583 PolarHBondContact O-N 3.1Å; N583-Q585 PolarHBondContact O-N 3.01Å; N583-Q585 VanDerWaalsContact O-N 3.15Å
584	K	66.7	Low	64.3	Low	16 Å²	16	49.3 Å²	49.3	7%	0.07	26%	0.257	C	S	.	.			trans	-59.9	115.3	175.8	-56.3	179.9	-177.4	180	0	109.8	Q457 L458 D460 I576 N577 Q579 D581	Q457-K584 WeakPolarHBondContact CA-O 3.36Å; L458-K584 HydrophobicContact CB-CB 3.74Å; L458-K584 HydrophobicContact CD2-CB 4.41Å; L458-K584 HydrophobicContact CD2-CD 4.33Å; L458-K584 PolarHBondContact N-O 3.43Å; D460-K584 IonicContact OD1-NZ 3.44Å; D460-K584 PolarHBondContact OD1-NZ 2.71Å; I576-K584 HydrophobicContact CG2-CB 4.03Å; I576-K584 WeakPolarHBondContact O-CD 3.48Å; N577-K584 PolarHBondContact O-NZ 2.75Å; Q579-K584 WeakPolarHBondContact O-CE 3.49Å; Q579-K584 PolarHBondContact O-NZ 3.46Å; D581-K584 WeakPolarHBondContact O-CE 3.41Å; D581-K584 VanDerWaalsContact O-CG 3.29Å; D581-K584 WeakPolarHBondContact O-CG 3.44Å
585	Q	67	Low	62.9	Low	55 Å²	55	52.6 Å²	52.6	26%	0.257	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.8	-179.2	-69.3	-176.8	18.6	0	0	112.2	I413 V455 F456 S519 N583	I413-Q585 HydrophobicContact CD1-CG 3.95Å; V455-Q585 HydrophobicContact CG1-CG 4.45Å; V455-Q585 VanDerWaalsContact CG1-OE1 3.29Å; F456-Q585 VanDerWaalsContact O-CA 3.31Å; F456-Q585 WeakPolarHBondContact O-CA 3.18Å; S519-Q585 PolarHBondContact OG-O 3.28Å; N583-Q585 PolarHBondContact O-N 3.01Å; N583-Q585 VanDerWaalsContact O-N 3.15Å
586	I	65.7	Low	61.7	Low	4 Å²	4	54.3 Å²	54.3	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.5	168	-69.2	168.7	0	0	0	107	F456 L458 L517 I573 I576 F646	F456-I586 PolarHBondContact N-O 3.01Å; F456-I586 PolarHBondContact O-N 2.7Å; L458-I586 HydrophobicContact CD1-CD1 3.59Å; L458-I586 HydrophobicContact CG-CD1 4.5Å; L517-I586 HydrophobicContact CD2-CG2 3.49Å; L517-I586 VanDerWaalsContact CD2-CG2 3.49Å; I573-I586 HydrophobicContact CD1-CD1 4.5Å; I573-I586 HydrophobicContact CG1-CD1 3.86Å; I576-I586 HydrophobicContact CD1-CD1 4.31Å; I576-I586 HydrophobicContact CD1-CG1 3.67Å; I586-F646 HydrophobicContact CG2-CZ 4Å
587	V	65	Low	60.3	Low	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.2	178.7	-174.2	0	0	0	0	109.9	K453 L454 V455 H518 D520	K453-V587 HydrophobicContact CD-CG1 4.16Å; K453-V587 HydrophobicContact CG-CG1 3.34Å; L454-V587 WeakPolarHBondContact O-CA 3.49Å; V455-V587 HydrophobicContact CB-CG2 4.45Å; V455-V587 HydrophobicContact CG1-CG2 4.23Å; V455-V587 HydrophobicContact CG2-CG1 4.27Å; V455-V587 HydrophobicContact CG2-CG2 4.06Å; H518-V587 PolarHBondContact CD2-O 3.46Å; H518-V587 VanDerWaalsContact CE1-CG1 3.48Å; H518-V587 WeakPolarHBondContact CE1-CG1 3.38Å; H518-V587 PolarHBondContact N-O 2.8Å; H518-V587 VanDerWaalsContact NE2-CG1 3.28Å; H518-V587 WeakPolarHBondContact NE2-CG1 3.35Å; H518-V587 PolarHBondContact O-N 3.32Å; H518-V587 VanDerWaalsContact O-O 3.12Å; D520-V587 HydrophobicContact CB-CB 4.41Å; D520-V587 HydrophobicContact CB-CG2 3.52Å
588	I	64.9	Low	58.7	Low	3 Å²	3	62.9 Å²	62.9	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.1	175.6	-56.5	170.7	0	0	0	107	L454 F456 I472 L515 W516 L517 I590 L645 F646	L454-I588 HydrophobicContact CB-CB 4.39Å; L454-I588 PolarHBondContact N-O 3.35Å; L454-I588 PolarHBondContact O-N 2.74Å; F456-I588 HydrophobicContact CD2-CD1 3.95Å; F456-I588 HydrophobicContact CD2-CG1 4.13Å; F456-I588 HydrophobicContact CE2-CB 4.28Å; F456-I588 HydrophobicContact CE2-CD1 3.53Å; F456-I588 HydrophobicContact CE2-CG1 3.92Å; F456-I588 HydrophobicContact CZ-CD1 4.29Å; I472-I588 HydrophobicContact CD1-CD1 3.49Å; I472-I588 VanDerWaalsContact CD1-CD1 3.49Å; I472-I588 HydrophobicContact CD1-CG1 4.04Å; I472-I588 HydrophobicContact CD1-CG2 4.49Å; I472-I588 HydrophobicContact CG1-CD1 3.94Å; I472-I588 HydrophobicContact CG2-CD1 4.42Å; L515-I588 HydrophobicContact CD1-CG2 3.81Å; L515-I588 HydrophobicContact CG-CG2 4.1Å; W516-I588 WeakPolarHBondContact O-CA 3.41Å; L517-I588 HydrophobicContact CD2-CG1 3.75Å; L517-I588 HydrophobicContact CG-CG1 4.18Å; I588-I590 HydrophobicContact CG2-CG1 4.23Å; I588-L645 HydrophobicContact CD1-CD2 4.19Å; I588-F646 HydrophobicContact CD1-CE2 4.13Å; I588-F646 HydrophobicContact CD1-CZ 4.25Å
589	Q	63.4	Low	56.8	Low	27 Å²	27	58.4 Å²	58.4	13%	0.126	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.1	175.5	-167.4	-172.1	46	0	0	109.8	H452 W516 R591	H452-Q589 CarbonylContact O-C 3.58Å; H452-Q589 WeakPolarHBondContact O-CA 3.36Å; W516-Q589 HydrophobicContact CB-CB 4.24Å; W516-Q589 PolarHBondContact N-O 2.86Å; W516-Q589 PolarHBondContact O-N 2.83Å; Q589-R591 HydrophobicContact CG-CG 4.36Å; Q589-R591 VanDerWaalsContact OE1-CZ 3.26Å
590	I	63.7	Low	54.8	Low	18 Å²	18	62.7 Å²	62.7	9%	0.092	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.2	177.4	-40.6	-170.8	0	0	0	107.9	Q451 H452 L454 I474 L513 L515 I588 L620	Q451-I590 WeakPolarHBondContact CA-O 3.44Å; H452-I590 HydrophobicContact CB-CB 4.33Å; H452-I590 PolarHBondContact N-O 2.89Å; H452-I590 PolarHBondContact O-N 2.92Å; L454-I590 HydrophobicContact CD1-CD1 3.77Å; L454-I590 HydrophobicContact CD1-CG1 4.29Å; I474-I590 HydrophobicContact CD1-CD1 4.46Å; L513-I590 HydrophobicContact CD2-CG2 3.89Å; L515-I590 HydrophobicContact CD1-CD1 4.18Å; L515-I590 HydrophobicContact CD1-CG1 3.86Å; L515-I590 HydrophobicContact CD1-CG2 4.44Å; I588-I590 HydrophobicContact CG2-CG1 4.23Å; I590-L620 HydrophobicContact CG2-CD2 4.28Å
591	R	59.4	Low	53.4	Low	54 Å²	54	60.6 Å²	60.6	20%	0.204	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.6	176.1	-45.5	-176.9	-175.1	160.4	1.4	110.8	V449 K450 Q451 S514 Q589	V449-R591 HydrophobicContact CG1-CB 4.2Å; K450-R591 WeakPolarHBondContact O-CA 3.2Å; Q451-R591 HydrophobicContact CB-CG 4.21Å; Q451-R591 HydrophobicContact CG-CB 4.28Å; Q451-R591 HydrophobicContact CG-CG 3.87Å; Q451-R591 VanDerWaalsContact OE1-NE 3.16Å; S514-R591 PolarHBondContact N-O 2.86Å; S514-R591 PolarHBondContact O-N 3.15Å; Q589-R591 HydrophobicContact CG-CG 4.36Å; Q589-R591 VanDerWaalsContact OE1-CZ 3.26Å
592	S	55.9	Low	52	Low	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.2	174	-179.7	0	0	0	0	110	V449 K450	V449-S592 WeakPolarHBondContact CA-O 3.11Å; K450-S592 PolarHBondContact N-O 3.38Å; K450-S592 PolarHBondContact O-N 2.97Å
593	V	50.9	Low	50.5	Low	42 Å²	42	64 Å²	64	26%	0.255	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.3	179.4	-170.4	0	0	0	0	109.6	H447 T448 V449 P512	H447-V593 HydrophobicContact CB-CG1 4.25Å; T448-V593 WeakPolarHBondContact O-CA 3.15Å; V449-V593 HydrophobicContact CG1-CG2 4.48Å; V449-V593 HydrophobicContact CG2-CG1 4.33Å; V449-V593 HydrophobicContact CG2-CG2 4.22Å; P512-V593 HydrophobicContact CG-CB 3.94Å; P512-V593 HydrophobicContact CG-CG2 4.46Å
594	V	48	Very low	49	Very low	4 Å²	4	66.8 Å²	66.8	2%	0.024	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	160.9	-178.7	174.7	0	0	0	0	108.4	H447 T448 W511 F619	H447-V594 WeakPolarHBondContact CA-O 3.22Å; H447-V594 PolarHBondContact ND1-O 3.44Å; T448-V594 PolarHBondContact N-O 3.43Å; T448-V594 PolarHBondContact O-N 3.08Å; T448-V594 WeakPolarHBondContact OG1-CB 3.43Å; T448-V594 PolarHBondContact OG1-O 2.74Å; W511-V594 HydrophobicContact CD2-CG2 4.05Å; W511-V594 HydrophobicContact CE3-CB 4.36Å; W511-V594 HydrophobicContact CE3-CG2 3.9Å; W511-V594 HydrophobicContact CH2-CB 4.46Å; W511-V594 HydrophobicContact CH2-CG1 3.84Å; W511-V594 HydrophobicContact CH2-CG2 4.41Å; W511-V594 HydrophobicContact CZ2-CG1 4.37Å; W511-V594 HydrophobicContact CZ3-CB 4.13Å; W511-V594 HydrophobicContact CZ3-CG1 3.96Å; W511-V594 HydrophobicContact CZ3-CG2 4.1Å; V594-F619 HydrophobicContact CB-CD1 4.16Å; V594-F619 HydrophobicContact CB-CE1 4.03Å; V594-F619 HydrophobicContact CG1-CD1 4.13Å; V594-F619 HydrophobicContact CG1-CE1 3.81Å; V594-F619 HydrophobicContact CG1-CZ 4.48Å; V594-F619 HydrophobicContact CG2-CD1 3.91Å; V594-F619 HydrophobicContact CG2-CE1 4.3Å
595	R	44.4	Very low	47.1	Very low	112 Å²	112	74.4 Å²	74.4	42%	0.423	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.2	174.6	-157.4	178.5	-176.2	176.9	-1.5	109.4	D446 N597	D446-R595 HydrophobicContact CB-CG 4.21Å; D446-R595 CarbonylContact O-C 3.57Å; D446-R595 WeakPolarHBondContact O-CA 3.31Å; D446-R595 WeakPolarHBondContact O-CG 3.33Å; D446-R595 IonicContact OD2-CZ 2.71Å; D446-R595 IonicContact OD2-NE 2.94Å; D446-R595 PolarHBondContact OD2-NE 3.35Å; D446-R595 IonicContact OD2-NH2 3.48Å; D446-R595 PolarHBondContact OD2-NH2 2.93Å; R595-N597 PolarHBondContact O-N 3.45Å
596	K	46.8	Very low	45.4	Very low	100 Å²	100	75.7 Å²	75.7	44%	0.435	40%	0.395	S	S	.	.	S	Bend	trans	-59.7	-40.3	-174.8	-88.5	-178	176.1	-177.6	0	113.6	D446 H447 T448	D446-K596 PolarHBondContact O-N 3.38Å; H447-K596 WeakPolarHBondContact O-CE 3.1Å; T448-K596 HydrophobicContact CG2-CD 4.47Å; T448-K596 HydrophobicContact CG2-CG 3.72Å
597	N	42.3	Very low	43.6	Very low	112 Å²	112	82.4 Å²	82.4	60%	0.599	44%	0.436	S	S	*	.			trans	-107.6	93.2	-173	-62.5	16.5	0	0	0	110.4	R595	R595-N597 PolarHBondContact O-N 3.45Å
598	L	40.9	Very low	42.1	Very low	94 Å²	94	89 Å²	89	49%	0.492	47%	0.471	S	S	.	.	S	Bend	trans	-117.6	-0.9	158.9	-149.5	78.3	0	0	0	112.3
599	S	30.5	Very low	40.4	Very low	64 Å²	64	96.5 Å²	96.5	45%	0.448	51%	0.512	S	S	.	.			trans	-88.2	165.7	158	47.5	0	0	0	0	109.9
600	L	29.4	Very low	39	Very low	153 Å²	153	101 Å²	101	80%	0.801	54%	0.537	S	S	*	.			trans	71.7	70.5	-177.5	-51.6	171.4	0	0	0	116.5
601	T	28.8	Very low	37.4	Very low	95 Å²	95	107.6 Å²	107.6	58%	0.583	57%	0.567	S	S	*	*				-166	95.9	121.7	51.9	0	0	0	0	110	P488	P488-T601 WeakPolarHBondContact CB-OG1 3.34Å; P488-T601 WeakPolarHBondContact CG-OG1 2.96Å
602	H	33.6	Very low	36.1	Very low	117 Å²	117	112.1 Å²	112.1	54%	0.542	60%	0.595	S	S	.	*			trans	-164.4	99	149.2	-113.4	-60.7	0	0	0	110.2	T486 F604	T486-H602 WeakPolarHBondContact CB-NE2 2.98Å; T486-H602 PolarHBondContact OG1-CD2 2.84Å; T486-H602 PolarHBondContact OG1-NE2 3.01Å; H602-F604 AromaticContact CE1-CD2 3.92Å; H602-F604 AromaticContact CE1-CE2 3.9Å; H602-F604 AromaticContact ND1-CD2 3.45Å; H602-F604 WeakPolarHBondContact ND1-CD2 3.41Å; H602-F604 AromaticContact ND1-CE2 3.82Å; H602-F604 PolarHBondContact O-N 2.71Å
603	D	28.4	Very low	35.1	Very low	164 Å²	164	119.3 Å²	119.3	88%	0.877	63%	0.629	S	S	*	*			trans	-72.4	102.9	159	-63	-48.3	0	0	0	107.6
604	F	32.4	Very low	34.1	Very low	169 Å²	169	122.3 Å²	122.3	74%	0.741	64%	0.641	S	S	*	*			trans	-149.6	120.4	158.2	-89.4	-60.5	0	0	0	109.1	H602 A606	H602-F604 AromaticContact CE1-CD2 3.92Å; H602-F604 AromaticContact CE1-CE2 3.9Å; H602-F604 AromaticContact ND1-CD2 3.45Å; H602-F604 WeakPolarHBondContact ND1-CD2 3.41Å; H602-F604 AromaticContact ND1-CE2 3.82Å; H602-F604 PolarHBondContact O-N 2.71Å; F604-A606 PolarHBondContact O-N 2.72Å
605	D	27.5	Very low	33.4	Very low	176 Å²	176	128.6 Å²	128.6	94%	0.941	67%	0.67	S	S	*	*			trans	-64.2	99.9	178	-66.6	-67.9	0	0	0	111.3
606	A	30.8	Very low	33	Very low	82 Å²	82	128.9 Å²	128.9	68%	0.678	68%	0.676	S	S	*	*			trans	-136.1	87	173.2	0	0	0	0	0	109.4	F604 N608	F604-A606 PolarHBondContact O-N 2.72Å; A606-N608 PolarHBondContact O-N 2.94Å
607	T	29.1	Very low	32.8	Very low	144 Å²	144	126 Å²	126	88%	0.883	67%	0.669	S	S	*	*			trans	-62.8	96	179.5	51.4	0	0	0	0	111.5
608	N	32.9	Very low	32.8	Very low	138 Å²	138	122 Å²	122	74%	0.738	65%	0.648	S	S	*	*			trans	-151.4	128.3	168.7	-120.7	-29.2	0	0	0	112.2	A606 N610	A606-N608 PolarHBondContact O-N 2.94Å; N608-N610 PolarHBondContact O-N 2.71Å
609	N	29.7	Very low	33.2	Very low	161 Å²	161	120.2 Å²	120.2	86%	0.861	64%	0.636	S	S	*	*	S	Bend	trans	-82.5	70	-163.7	-67.1	-32.9	0	0	0	113.8
610	N	33.1	Very low	34.3	Very low	122 Å²	122	118.7 Å²	118.7	65%	0.652	62%	0.623	S	S	*	*			trans	-133.2	20.5	179.7	-90.5	-16.4	0	0	0	115.3	N608 N612	N608-N610 PolarHBondContact O-N 2.71Å; N610-N612 VanDerWaalsContact C-N 3.27Å; N610-N612 PolarHBondContact O-N 3.18Å; N610-N612 VanDerWaalsContact O-N 3.15Å
611	H	31.7	Very low	35.6	Very low	156 Å²	156	117.2 Å²	117.2	72%	0.722	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-18.6	-173.4	-80.7	-64.2	0	0	0	116.2
612	N	32.2	Very low	37.1	Very low	150 Å²	150	114.9 Å²	114.9	80%	0.802	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-20.3	-171.7	-68.6	0.8	0	0	0	115.2	N610	N610-N612 VanDerWaalsContact C-N 3.27Å; N610-N612 PolarHBondContact O-N 3.18Å; N610-N612 VanDerWaalsContact O-N 3.15Å
613	E	32.9	Very low	37.9	Very low	151 Å²	151	112.4 Å²	112.4	71%	0.706	59%	0.589	S	S	*	*	S	Bend	trans	-80.7	-25.2	-177.6	-63.6	-162.9	133.9	0	0	113
614	M	30.4	Very low	38.8	Very low	105 Å²	105	107 Å²	107	52%	0.517	56%	0.56	S	S	.	*	S	Bend	trans	-75.3	-34.4	-162.7	-152	164.3	78.3	0	0	113.4	Y485 Q616 S617	Y485-M614 VanDerWaalsContact OH-CG 3.27Å; Y485-M614 WeakPolarHBondContact OH-CG 3.41Å; Y485-M614 PolarHBondContact OH-SD 3.4Å; M614-Q616 PolarHBondContact O-N 2.9Å; M614-S617 PolarHBondContact O-N 3.01Å; M614-S617 PolarHBondContact O-OG 3Å
615	E	34.7	Very low	39.2	Very low	135 Å²	135	103.4 Å²	103.4	63%	0.631	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-67.1	-35.2	-179.9	-62.5	-163.2	131.6	0	0	113.2	S617 F619	E615-S617 PolarHBondContact O-N 2.75Å; E615-F619 WeakPolarHBondContact O-CE2 2.99Å
616	Q	35.8	Very low	39.7	Very low	118 Å²	118	98.5 Å²	98.5	55%	0.551	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-70.5	-14.2	-176.5	-64.3	-162.6	16.1	0	0	114.5	M614 K621	M614-Q616 PolarHBondContact O-N 2.9Å; Q616-K621 VanDerWaalsContact O-CE 3.29Å; Q616-K621 WeakPolarHBondContact O-CE 3.4Å
617	S	41.2	Very low	40.1	Very low	41 Å²	41	102 Å²	102	29%	0.287	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-75.7	-29	-169.3	69.1	0	0	0	0	113.5	Y481 M614 E615 F619	Y481-S617 VanDerWaalsContact OH-C 3.25Å; Y481-S617 VanDerWaalsContact OH-CB 3.25Å; Y481-S617 WeakPolarHBondContact OH-CB 3.48Å; Y481-S617 PolarHBondContact OH-O 3.48Å; Y481-S617 PolarHBondContact OH-OG 3.46Å; M614-S617 PolarHBondContact O-N 3.01Å; M614-S617 PolarHBondContact O-OG 3Å; E615-S617 PolarHBondContact O-N 2.75Å; S617-F619 VanDerWaalsContact C-N 3.29Å; S617-F619 PolarHBondContact O-N 2.88Å
618	N	43.5	Very low	40.5	Very low	27 Å²	27	104.5 Å²	104.5	14%	0.144	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-81.2	6.8	-168.3	-70.8	-47.8	0	0	0	115.7	W511	W511-N618 WeakPolarHBondContact CZ2-O 3.01Å
619	F	49.7	Very low	40.6	Very low	56 Å²	56	103 Å²	103	25%	0.246	52%	0.515	C	S	.	.	S	Bend	trans	-115	154.7	-171.2	-62.8	-77.4	0	0	0	113.7	K450 V594 E615 S617 K621	K450-F619 HydrophobicContact CD-CB 4.19Å; K450-F619 HydrophobicContact CD-CD1 4.05Å; K450-F619 HydrophobicContact CD-CG 4.24Å; K450-F619 HydrophobicContact CG-CD1 3.85Å; K450-F619 HydrophobicContact CG-CE1 4.39Å; V594-F619 HydrophobicContact CB-CD1 4.16Å; V594-F619 HydrophobicContact CB-CE1 4.03Å; V594-F619 HydrophobicContact CG1-CD1 4.13Å; V594-F619 HydrophobicContact CG1-CE1 3.81Å; V594-F619 HydrophobicContact CG1-CZ 4.48Å; V594-F619 HydrophobicContact CG2-CD1 3.91Å; V594-F619 HydrophobicContact CG2-CE1 4.3Å; E615-F619 WeakPolarHBondContact O-CE2 2.99Å; S617-F619 VanDerWaalsContact C-N 3.29Å; S617-F619 PolarHBondContact O-N 2.88Å; F619-K621 PolarHBondContact O-N 3.46Å
620	L	53.4	Low	40.7	Very low	33 Å²	33	104.6 Å²	104.6	17%	0.173	52%	0.517	C	S	.	.			trans	-64.9	104.1	167.5	-175.2	83.4	0	0	0	109.5	H452 L513 I590	H452-L620 PolarHBondContact NE2-O 3.16Å; L513-L620 HydrophobicContact CD2-CD1 4.18Å; L513-L620 HydrophobicContact CD2-CD2 3.78Å; I590-L620 HydrophobicContact CG2-CD2 4.28Å
621	K	56.9	Low	40.7	Very low	121 Å²	121	108.8 Å²	108.8	53%	0.526	53%	0.53	S	S	.	.			trans	-95.3	141	168.2	-63.9	-165.8	174.9	-165.7	0	110	Q616 F619	Q616-K621 VanDerWaalsContact O-CE 3.29Å; Q616-K621 WeakPolarHBondContact O-CE 3.4Å; F619-K621 PolarHBondContact O-N 3.46Å
622	I	60	Low	40.7	Very low	47 Å²	47	105.4 Å²	105.4	24%	0.241	52%	0.524	C	S	.	.			trans	-98	94.7	168.1	-62.3	-176.4	0	0	0	107.2	H452 L454 W638	H452-I622 HydrophobicContact CB-CD1 3.72Å; H452-I622 WeakPolarHBondContact ND1-CD1 3.45Å; L454-I622 HydrophobicContact CD1-CD1 4.47Å; L454-I622 HydrophobicContact CD2-CD1 4.24Å; I622-W638 HydrophobicContact CG2-CH2 3.3Å; I622-W638 HydrophobicContact CG2-CZ2 3.42Å; I622-W638 VanDerWaalsContact CG2-CZ2 3.42Å; I622-W638 HydrophobicContact CG2-CZ3 4.34Å
623	S	49.6	Very low	40.6	Very low	65 Å²	65	107.2 Å²	107.2	46%	0.455	53%	0.532	S	S	.	.			trans	-80.2	143.3	-176.5	50.8	0	0	0	0	113.1
624	N	46.8	Very low	40.7	Very low	49 Å²	49	104 Å²	104	26%	0.262	52%	0.52	S	S	.	.			trans	-73.8	129.6	167.6	-178.8	-23.1	0	0	0	108.5	N626 W638	N624-N626 PolarHBondContact O-N 3.38Å; N624-N626 VanDerWaalsContact O-N 3.08Å; N624-N626 PolarHBondContact OD1-N 3.42Å; N624-W638 HydrophobicContact CB-CG 4.36Å; N624-W638 WeakPolarHBondContact OD1-CB 3.32Å
625	L	42.4	Very low	40.9	Very low	95 Å²	95	103.6 Å²	103.6	50%	0.497	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-9.1	-178.7	-80	164.8	0	0	0	114.3
626	N	36.8	Very low	40.9	Very low	72 Å²	72	99 Å²	99	39%	0.385	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	32.9	-177.1	-64.2	21.4	0	0	0	113.3	N624 K628 D629	N624-N626 PolarHBondContact O-N 3.38Å; N624-N626 VanDerWaalsContact O-N 3.08Å; N624-N626 PolarHBondContact OD1-N 3.42Å; N626-K628 PolarHBondContact O-N 3.42Å; N626-D629 PolarHBondContact O-N 3.11Å
627	E	39.2	Very low	40.6	Very low	155 Å²	155	99.9 Å²	99.9	72%	0.724	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	21.8	175.3	-91.7	176.6	-174.9	0	0	115.6
628	K	38.8	Very low	40.4	Very low	197 Å²	197	100.1 Å²	100.1	86%	0.857	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-9	171.7	-71.9	-168.9	172	-172.2	0	114.5	N626	N626-K628 PolarHBondContact O-N 3.42Å
629	D	34.2	Very low	40.1	Very low	108 Å²	108	100 Å²	100	58%	0.578	50%	0.503	S	S	*	.			trans	-109.8	75.9	-178.3	-66.8	-48.7	0	0	0	111.3	N626 K631	N626-D629 PolarHBondContact O-N 3.11Å; D629-K631 PolarHBondContact O-N 3.02Å
630	E	32.4	Very low	39.4	Very low	194 Å²	194	102.8 Å²	102.8	91%	0.907	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	16.5	-177.6	-62.9	-172.5	122.9	0	0	115.8
631	K	32.7	Very low	38.5	Very low	210 Å²	210	106.8 Å²	106.8	91%	0.913	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.9	19.5	-173.1	-68.3	-173.2	175.5	174.4	0	115	D629	D629-K631 PolarHBondContact O-N 3.02Å
632	S	31.6	Very low	37.7	Very low	85 Å²	85	102.4 Å²	102.4	59%	0.594	53%	0.525	S	S	*	.			trans	-121.2	125.2	170.4	67.6	0	0	0	0	111.8	D634	S632-D634 PolarHBondContact O-N 3.33Å
633	L	30.3	Very low	36.6	Very low	187 Å²	187	102.8 Å²	102.8	98%	0.979	53%	0.531	S	S	*	.			trans	-93	11.7	-166.3	-151.5	78.6	0	0	0	114.2
634	D	34.9	Very low	36.5	Very low	83 Å²	83	100.9 Å²	100.9	44%	0.444	51%	0.514	S	S	.	.			trans	-108.4	103.3	-171.4	-124	-48.1	0	0	0	110.9	S632 S636 Y637	S632-D634 PolarHBondContact O-N 3.33Å; D634-S636 PolarHBondContact O-N 2.87Å; D634-S636 VanDerWaalsContact O-N 3.08Å; D634-S636 PolarHBondContact OD1-OG 2.86Å; D634-Y637 HydrophobicContact CB-CD2 3.6Å; D634-Y637 HydrophobicContact CB-CE2 3.47Å; D634-Y637 VanDerWaalsContact CB-CE2 3.47Å
635	S	33.9	Very low	36.7	Very low	97 Å²	97	99.8 Å²	99.8	68%	0.678	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-6	179	56.9	0	0	0	0	114.2	W638	S635-W638 VanDerWaalsContact O-CD1 3.29Å; S635-W638 PolarHBondContact O-NE1 2.88Å
636	S	35.8	Very low	37.1	Very low	40 Å²	40	95.4 Å²	95.4	28%	0.28	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-25.7	-169.5	60.3	0	0	0	0	115	D634 W638	D634-S636 PolarHBondContact O-N 2.87Å; D634-S636 VanDerWaalsContact O-N 3.08Å; D634-S636 PolarHBondContact OD1-OG 2.86Å; S636-W638 PolarHBondContact O-N 2.89Å
637	Y	29.6	Very low	37.8	Very low	136 Å²	136	92.3 Å²	92.3	53%	0.533	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-71.6	-28.2	-164.3	-79.3	-71.1	0	0	0	116.3	D634 L639 H640	D634-Y637 HydrophobicContact CB-CD2 3.6Å; D634-Y637 HydrophobicContact CB-CE2 3.47Å; D634-Y637 VanDerWaalsContact CB-CE2 3.47Å; Y637-L639 VanDerWaalsContact C-N 3.29Å; Y637-L639 PolarHBondContact O-N 2.84Å; Y637-H640 WeakPolarHBondContact O-CB 3.22Å; Y637-H640 PolarHBondContact O-N 2.89Å; Y637-H640 VanDerWaalsContact O-N 3.08Å
638	W	35.3	Very low	38.3	Very low	45 Å²	45	86.6 Å²	86.6	17%	0.17	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-65.3	-30.2	-172.3	68.5	-80.3	0	0	0	113.6	I622 N624 S635 S636 H640 N641	I622-W638 HydrophobicContact CG2-CH2 3.3Å; I622-W638 HydrophobicContact CG2-CZ2 3.42Å; I622-W638 VanDerWaalsContact CG2-CZ2 3.42Å; I622-W638 HydrophobicContact CG2-CZ3 4.34Å; N624-W638 HydrophobicContact CB-CG 4.36Å; N624-W638 WeakPolarHBondContact OD1-CB 3.32Å; S635-W638 VanDerWaalsContact O-CD1 3.29Å; S635-W638 PolarHBondContact O-NE1 2.88Å; S636-W638 PolarHBondContact O-N 2.89Å; W638-H640 VanDerWaalsContact C-N 3.34Å; W638-N641 PolarHBondContact O-N 2.92Å
639	L	37.1	Very low	38.7	Very low	25 Å²	25	78.4 Å²	78.4	13%	0.131	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-77.5	-16.4	176.5	-128.6	81.3	0	0	0	114	H412 F456 Y637 N641 A642 L645	H412-L639 HydrophobicContact CB-CB 4.16Å; H412-L639 HydrophobicContact CB-CD2 3.68Å; F456-L639 HydrophobicContact CE1-CD2 3.59Å; F456-L639 HydrophobicContact CZ-CD2 4.11Å; Y637-L639 VanDerWaalsContact C-N 3.29Å; Y637-L639 PolarHBondContact O-N 2.84Å; L639-N641 PolarHBondContact O-N 3.15Å; L639-A642 HydrophobicContact CG-CB 4.43Å; L639-A642 PolarHBondContact O-N 3.41Å; L639-L645 HydrophobicContact CD2-CD2 4.36Å
640	H	35.1	Very low	39.5	Very low	114 Å²	114	75.6 Å²	75.6	53%	0.528	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-64.7	-23.4	170.5	-78.8	-91.1	0	0	0	112.1	Y637 W638 A642	Y637-H640 WeakPolarHBondContact O-CB 3.22Å; Y637-H640 PolarHBondContact O-N 2.89Å; Y637-H640 VanDerWaalsContact O-N 3.08Å; W638-H640 VanDerWaalsContact C-N 3.34Å; H640-A642 VanDerWaalsContact C-N 3.28Å; H640-A642 PolarHBondContact O-N 3.05Å
641	N	34.8	Very low	39.9	Very low	118 Å²	118	69 Å²	69	63%	0.631	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-84	3.7	172.3	-67.6	-22.6	0	0	0	113.7	W638 L639 P643	W638-N641 PolarHBondContact O-N 2.92Å; L639-N641 PolarHBondContact O-N 3.15Å; N641-P643 VanDerWaalsContact O-CD 3.27Å; N641-P643 WeakPolarHBondContact O-CD 3.25Å
642	A	39.9	Very low	40.4	Very low	28 Å²	28	61.1 Å²	61.1	23%	0.231	33%	0.328	C	S	.	.			trans	-117.1	59.3	175	0	0	0	0	0	113.3	L639 H640 H644	L639-A642 HydrophobicContact CG-CB 4.43Å; L639-A642 PolarHBondContact O-N 3.41Å; H640-A642 VanDerWaalsContact C-N 3.28Å; H640-A642 PolarHBondContact O-N 3.05Å; A642-H644 PolarHBondContact O-N 3.28Å
643	P	38.2	Very low	40.8	Very low	56 Å²	56	62.4 Å²	62.4	36%	0.364	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	10.5	-168.3	19.4	-29.9	0	0	0	118	H409 N641	H409-P643 PolarHBondContact CD2-O 3.39Å; H409-P643 VanDerWaalsContact CD2-O 3.31Å; N641-P643 VanDerWaalsContact O-CD 3.27Å; N641-P643 WeakPolarHBondContact O-CD 3.25Å
644	H	47.4	Very low	41.3	Very low	25 Å²	25	58 Å²	58	12%	0.116	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	38.6	-172.4	-51.9	-67.6	0	0	0	113.8	W354 I407 A642 F646 T647	W354-H644 AromaticContact CH2-CD2 3.12Å; W354-H644 WeakPolarHBondContact CH2-CD2 3.44Å; W354-H644 AromaticContact CH2-NE2 3.36Å; W354-H644 WeakPolarHBondContact CH2-NE2 3.26Å; W354-H644 AromaticContact CZ2-CD2 3.07Å; W354-H644 WeakPolarHBondContact CZ2-CD2 3.35Å; W354-H644 AromaticContact CZ2-CE1 3.97Å; W354-H644 AromaticContact CZ2-CG 3.77Å; W354-H644 AromaticContact CZ2-NE2 3.22Å; W354-H644 WeakPolarHBondContact CZ2-NE2 3.3Å; I407-H644 WeakPolarHBondContact CG2-ND1 3.24Å; A642-H644 PolarHBondContact O-N 3.28Å; H644-F646 PolarHBondContact O-N 3.47Å; H644-T647 HydrophobicContact CB-CG2 4.09Å
645	L	50.8	Low	41.5	Very low	25 Å²	25	55.7 Å²	55.7	13%	0.131	30%	0.298	C	S	.	.	S	Bend	trans	-68.6	-18	175.4	-149.8	84.9	0	0	0	113.7	F456 I472 R473 I588 L639	F456-L645 HydrophobicContact CD1-CD2 3.99Å; F456-L645 HydrophobicContact CE1-CD2 3.2Å; F456-L645 HydrophobicContact CE2-CD2 3.9Å; F456-L645 HydrophobicContact CZ-CD2 3.16Å; I472-L645 WeakPolarHBondContact CA-O 3.29Å; I472-L645 HydrophobicContact CG2-CG 4.44Å; R473-L645 WeakPolarHBondContact O-CD1 3.45Å; I588-L645 HydrophobicContact CD1-CD2 4.19Å; L639-L645 HydrophobicContact CD2-CD2 4.36Å
646	F	51.2	Low	41.6	Very low	4 Å²	4	57 Å²	57	2%	0.018	29%	0.291	C	S	.	.	S	Bend	trans	-134.5	132.4	165.6	-77.4	-98.7	0	0	0	109.1	H410 F456 S471 I472 L517 L565 I573 I586 I588 H644 Y648	H410-F646 HydrophobicContact CB-CD2 4.43Å; F456-F646 HydrophobicContact CG-CE2 4.49Å; S471-F646 WeakPolarHBondContact O-CA 3.37Å; I472-F646 HydrophobicContact CG1-CZ 4.29Å; L517-F646 HydrophobicContact CD2-CZ 4.33Å; L565-F646 HydrophobicContact CD1-CD1 4.05Å; L565-F646 HydrophobicContact CD1-CE1 3.63Å; I573-F646 HydrophobicContact CD1-CD1 4.35Å; I573-F646 HydrophobicContact CD1-CE1 3.99Å; I586-F646 HydrophobicContact CG2-CZ 4Å; I588-F646 HydrophobicContact CD1-CE2 4.13Å; I588-F646 HydrophobicContact CD1-CZ 4.25Å; H644-F646 PolarHBondContact O-N 3.47Å; F646-Y648 HydrophobicContact CB-CE1 4.33Å; F646-Y648 HydrophobicContact CD1-CE1 4.13Å
647	T	50.4	Low	41.7	Very low	6 Å²	6	65 Å²	65	4%	0.037	32%	0.317	C	S	.	.			trans	-125.4	98.9	-177.9	56.9	0	0	0	0	111.4	A470 S471 H644 H649	A470-T647 WeakPolarHBondContact CA-O 3.42Å; S471-T647 PolarHBondContact OG-OG1 3.16Å; H644-T647 HydrophobicContact CB-CG2 4.09Å; T647-H649 PolarHBondContact O-CD2 3.29Å; T647-H649 PolarHBondContact O-NE2 2.71Å
648	Y	49.5	Very low	41.9	Very low	35 Å²	35	61.7 Å²	61.7	14%	0.137	31%	0.308	C	S	.	.			trans	-87.8	139.7	-179.6	-55.7	-40.9	0	0	0	113.2	H410 L458 I461 L467 A469 A470 I573 F646	H410-Y648 AromaticContact CE1-CE2 3.79Å; H410-Y648 PolarHBondContact CE1-OH 2.7Å; H410-Y648 AromaticContact NE2-CE2 3.39Å; H410-Y648 WeakPolarHBondContact NE2-CE2 3.45Å; H410-Y648 AromaticContact NE2-CZ 3.8Å; L458-Y648 WeakPolarHBondContact CD1-OH 3.2Å; I461-Y648 HydrophobicContact CD1-CD2 4.1Å; I461-Y648 HydrophobicContact CD1-CE2 3.89Å; I461-Y648 HydrophobicContact CG1-CD2 4.21Å; I461-Y648 HydrophobicContact CG1-CE2 4.08Å; L467-Y648 HydrophobicContact CD1-CD1 3.3Å; L467-Y648 HydrophobicContact CD1-CE1 3.92Å; L467-Y648 HydrophobicContact CD1-CG 3.81Å; L467-Y648 HydrophobicContact CD2-CE1 4.4Å; A469-Y648 WeakPolarHBondContact O-CA 3.48Å; A470-Y648 HydrophobicContact CB-CD1 3.8Å; A470-Y648 HydrophobicContact CB-CE1 3.76Å; I573-Y648 HydrophobicContact CD1-CE1 4.38Å; I573-Y648 HydrophobicContact CG2-CE1 4.24Å; I573-Y648 WeakPolarHBondContact CG2-OH 3.42Å; F646-Y648 HydrophobicContact CB-CE1 4.33Å; F646-Y648 HydrophobicContact CD1-CE1 4.13Å
649	H	47.7	Very low	41.8	Very low	26 Å²	26	68.8 Å²	68.8	12%	0.12	34%	0.34	C	S	.	.			trans	-110.6	153.5	-179.5	-59.6	-79.1	0	0	0	111.5	L346 H350 V468 A469 T647	L346-H649 HydrophobicContact CD1-CB 4.26Å; H350-H649 AromaticContact NE2-CE1 3.63Å; V468-H649 HydrophobicContact CB-CB 4.31Å; V468-H649 VanDerWaalsContact CB-O 3.29Å; V468-H649 WeakPolarHBondContact CB-O 3.41Å; V468-H649 VanDerWaalsContact CG2-O 3.3Å; V468-H649 WeakPolarHBondContact CG2-O 3.2Å; V468-H649 PolarHBondContact N-O 2.83Å; A469-H649 HydrophobicContact CB-CB 4.43Å; A469-H649 PolarHBondContact O-N 2.95Å; T647-H649 PolarHBondContact O-CD2 3.29Å; T647-H649 PolarHBondContact O-NE2 2.71Å
650	R	50.2	Low	41.5	Very low	48 Å²	48	74.2 Å²	74.2	18%	0.181	36%	0.359	C	S	.	.			trans	-116.2	152.8	-179.1	-69	-160.8	-175.3	127.2	2.2	113	T405 E465 P652	T405-R650 VanDerWaalsContact CB-NH1 3.31Å; T405-R650 VanDerWaalsContact CG2-NH1 3.26Å; T405-R650 PolarHBondContact O-NH1 3.13Å; T405-R650 PolarHBondContact O-NH2 2.93Å; T405-R650 PolarHBondContact OG1-NH1 3.43Å; E465-R650 VanDerWaalsContact CD-CZ 3.47Å; E465-R650 IonicContact OE1-CZ 2.59Å; E465-R650 IonicContact OE1-NE 3.75Å; E465-R650 IonicContact OE1-NH2 3.15Å; E465-R650 PolarHBondContact OE1-NH2 2.64Å; E465-R650 IonicContact OE2-CZ 2.75Å; E465-R650 IonicContact OE2-NE 2.67Å; E465-R650 PolarHBondContact OE2-NE 2.89Å; E465-R650 IonicContact OE2-NH2 3.6Å; E465-R650 PolarHBondContact OE2-NH2 2.96Å; R650-P652 WeakPolarHBondContact O-CD 3.31Å
651	D	42.1	Very low	41.2	Very low	56 Å²	56	77.8 Å²	77.8	30%	0.299	37%	0.373	S	S	.	.			trans	-64.1	120.4	167	176.5	9.3	0	0	0	110.6	N653 A655	D651-N653 PolarHBondContact O-N 2.82Å; D651-N653 WeakPolarHBondContact OD1-CB 3.33Å; D651-N653 PolarHBondContact OD1-N 2.95Å; D651-N653 PolarHBondContact OD1-ND2 2.85Å; D651-A655 PolarHBondContact O-N 3.41Å
652	P	43.4	Very low	40.9	Very low	44 Å²	44	77.7 Å²	77.7	29%	0.286	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.2	177.5	27.4	-36.2	0	0	0	114	R650	R650-P652 WeakPolarHBondContact O-CD 3.31Å
653	N	39.7	Very low	40.3	Very low	113 Å²	113	88.3 Å²	88.3	60%	0.604	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-46.5	-179.9	-57.7	-66.2	0	0	0	112	D651 A655 K656	D651-N653 PolarHBondContact O-N 2.82Å; D651-N653 WeakPolarHBondContact OD1-CB 3.33Å; D651-N653 PolarHBondContact OD1-N 2.95Å; D651-N653 PolarHBondContact OD1-ND2 2.85Å; N653-A655 VanDerWaalsContact C-N 3.34Å; N653-A655 PolarHBondContact O-N 2.81Å; N653-K656 WeakPolarHBondContact O-CB 3.48Å; N653-K656 PolarHBondContact O-N 3.4Å
654	L	40.5	Very low	39.9	Very low	93 Å²	93	90.1 Å²	90.1	49%	0.487	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-63.7	-37.2	175.8	-109.8	74.2	0	0	0	112.8	K656 Y657 L658	L654-K656 PolarHBondContact O-N 2.95Å; L654-Y657 PolarHBondContact O-N 2.99Å; L654-L658 PolarHBondContact O-N 2.91Å
655	A	38.3	Very low	38.9	Very low	35 Å²	35	95.6 Å²	95.6	29%	0.289	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-57	-21.1	179.1	0	0	0	0	0	113.7	D651 N653	D651-A655 PolarHBondContact O-N 3.41Å; N653-A655 VanDerWaalsContact C-N 3.34Å; N653-A655 PolarHBondContact O-N 2.81Å
656	K	37.5	Very low	37.8	Very low	126 Å²	126	101.8 Å²	101.8	55%	0.548	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-73.8	-28.1	178.1	-162.6	177	-178.1	178.7	0	113.4	Y400 N653 L654	Y400-K656 HydrophobicContact CE1-CD 3.92Å; Y400-K656 WeakPolarHBondContact OH-CE 3.39Å; Y400-K656 PolarHBondContact OH-NZ 2.92Å; Y400-K656 VanDerWaalsContact OH-NZ 3.08Å; N653-K656 WeakPolarHBondContact O-CB 3.48Å; N653-K656 PolarHBondContact O-N 3.4Å; L654-K656 PolarHBondContact O-N 2.95Å
657	Y	36.9	Very low	36.7	Very low	208 Å²	208	111.3 Å²	111.3	82%	0.816	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-33	175.4	-71.5	-85.2	0	0	0	111.9	L654 K659	L654-Y657 PolarHBondContact O-N 2.99Å; Y657-K659 PolarHBondContact O-N 2.95Å
658	L	34.6	Very low	35.5	Very low	66 Å²	66	116.2 Å²	116.2	35%	0.346	56%	0.558	S	S	.	*			trans	-78.9	57.3	177.1	-63	178.6	0	0	0	113	N464 L654 R660	N464-L658 WeakPolarHBondContact ND2-CD2 3.3Å; L654-L658 PolarHBondContact O-N 2.91Å; L658-R660 PolarHBondContact O-N 2.96Å
659	K	32.3	Very low	34.5	Very low	193 Å²	193	122 Å²	122	84%	0.839	59%	0.591	S	S	*	*			trans	-65	84.7	155.2	-86.2	-165.6	177.3	-175.2	0	108.6	Y657 K661	Y657-K659 PolarHBondContact O-N 2.95Å; K659-K661 PolarHBondContact O-N 3.33Å; K659-K661 VanDerWaalsContact O-N 3.09Å
660	R	31.5	Very low	33.6	Very low	139 Å²	139	126.8 Å²	126.8	53%	0.525	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-51.9	119.5	161.3	-77.7	-172.5	165.1	112.5	6.9	107.2	E465 L658	E465-R660 IonicContact OE1-CZ 2.7Å; E465-R660 IonicContact OE1-NH1 2.68Å; E465-R660 PolarHBondContact OE1-NH1 3.24Å; E465-R660 IonicContact OE1-NH2 3.17Å; E465-R660 PolarHBondContact OE1-NH2 3.36Å; L658-R660 PolarHBondContact O-N 2.96Å
661	K	29	Very low	32.4	Very low	190 Å²	190	133.1 Å²	133.1	83%	0.826	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-51.9	139.7	159.8	-69.8	-178	178.2	-179.9	0	106.5	K659 R663	K659-K661 PolarHBondContact O-N 3.33Å; K659-K661 VanDerWaalsContact O-N 3.09Å; K661-R663 PolarHBondContact O-N 2.92Å
662	P	28.2	Very low	31.8	Very low	115 Å²	115	138.8 Å²	138.8	75%	0.747	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-53	140.8	166	25.5	-33.4	0	0	0	107.8	S664	P662-S664 PolarHBondContact O-N 2.73Å
663	R	26.8	Very low	31.1	Very low	252 Å²	252	141.5 Å²	141.5	95%	0.951	70%	0.699	S	S	*	*			trans	-67.8	86.9	166.6	-79.9	-175.4	173.2	177.5	-3.6	106.7	K661 I665	K661-R663 PolarHBondContact O-N 2.92Å; R663-I665 PolarHBondContact O-N 3.48Å; R663-I665 VanDerWaalsContact O-N 3.15Å
664	S	29.4	Very low	30.4	Very low	93 Å²	93	146.4 Å²	146.4	65%	0.65	71%	0.709	S	S	*	*			trans	-59.6	114.4	170.9	48.4	0	0	0	0	107.7	P662 N666	P662-S664 PolarHBondContact O-N 2.73Å; S664-N666 PolarHBondContact O-N 2.94Å
665	I	28.1	Very low	29.9	Very low	141 Å²	141	148.4 Å²	148.4	72%	0.723	72%	0.716	S	S	*	*			trans	-54.7	131.3	163.6	-64.5	169.3	0	0	0	106.6	R663 Y667	R663-I665 PolarHBondContact O-N 3.48Å; R663-I665 VanDerWaalsContact O-N 3.15Å; I665-Y667 HydrophobicContact CG2-CE2 4.4Å; I665-Y667 PolarHBondContact O-N 3.26Å
666	N	26.2	Very low	29.4	Very low	154 Å²	154	153.3 Å²	153.3	82%	0.824	74%	0.737	S	S	*	*			trans	-66.3	105.3	-174.7	-84.1	-11	0	0	0	110.5	S664	S664-N666 PolarHBondContact O-N 2.94Å
667	Y	28	Very low	29	Very low	205 Å²	205	156.3 Å²	156.3	80%	0.804	75%	0.753	S	S	*	*			trans	-97.8	130.1	153.6	-72.9	-86.7	0	0	0	107.8	I665	I665-Y667 HydrophobicContact CG2-CE2 4.4Å; I665-Y667 PolarHBondContact O-N 3.26Å
668	P	26.5	Very low	28.5	Very low	109 Å²	109	154.5 Å²	154.5	71%	0.708	75%	0.752	S	S	*	*			trans	-73.3	155.2	-173	29.1	-34.9	0	0	0	112.9
669	N	27.2	Very low	28.1	Very low	155 Å²	155	157.6 Å²	157.6	83%	0.829	77%	0.769	S	S	*	*			trans	63.4	92.6	158.4	-57.6	-14.1	0	0	0	118.6
670	S	29.9	Very low	28.1	Very low	127 Å²	127	157.5 Å²	157.5	89%	0.888	77%	0.771	S	S	*	*				-161.2	137	118.4	27.8	0	0	0	0	110.5
671	Q	25.3	Very low	27.9	Very low	182 Å²	182	157.4 Å²	157.4	85%	0.85	78%	0.781	S	S	*	*			trans	-99.4	143.7	-179.3	-62.1	172.7	-11.2	0	0	109.7
672	H	29.8	Very low	28.2	Very low	175 Å²	175	156.1 Å²	156.1	81%	0.81	78%	0.78	S	S	*	*				-168.7	126.9	129.1	-106.5	-69.6	0	0	0	113.2
673	T	28.2	Very low	28.3	Very low	101 Å²	101	157.5 Å²	157.5	62%	0.62	78%	0.781	S	S	*	*			trans	9.6	125.8	146.9	44.2	0	0	0	0	119.7
674	R	25	Very low	28.7	Very low	216 Å²	216	153.7 Å²	153.7	82%	0.815	78%	0.779	S	S	*	*				71.7	147.2	69.8	-69.9	-177.1	-175	-158.5	5.6	112.7
675	Q	29.4	Very low	28.8	Very low	135 Å²	135	158.5 Å²	158.5	63%	0.631	79%	0.788	S	S	*	*			cis	-161.1	152.4	8.5	-126.5	163.3	-60.2	0	0	112.1
676	N	27.5	Very low	29.2	Very low	137 Å²	137	157.8 Å²	157.8	73%	0.733	79%	0.793	S	S	*	*			trans	54.6	174	148.2	-61.4	4.3	0	0	0	119.5
677	E	29.6	Very low	29.7	Very low	189 Å²	189	159 Å²	159	88%	0.883	80%	0.798	S	S	*	*			cis	-132.5	-171.5	14.6	-71.9	179.8	142.7	0	0	114.2
678	Q	26.5	Very low	30	Very low	170 Å²	170	156 Å²	156	79%	0.794	80%	0.796	S	S	*	*			trans	-131	161.7	-165.8	-60.5	177	-74.9	0	0	114.1
679	N	26.8	Very low	30.4	Very low	132 Å²	132	156.5 Å²	156.5	71%	0.706	79%	0.793	S	S	*	*			trans	54.8	130.7	150.5	-60.3	-10.3	0	0	0	121.1
680	H	32.3	Very low	30.7	Very low	190 Å²	190	156 Å²	156	88%	0.88	79%	0.79	S	S	*	*				-167.8	155.8	107.8	-107.3	-75.9	0	0	0	111.4
681	D	27.4	Very low	31.3	Very low	137 Å²	137	156 Å²	156	73%	0.733	78%	0.78	S	S	*	*			trans	-142.6	136.8	-178.9	-176	20.9	0	0	0	109.4
682	M	33.5	Very low	32.4	Very low	164 Å²	164	153 Å²	153	81%	0.808	77%	0.774	S	S	*	*			trans	-156.4	134.3	-178.1	-83.5	-57.4	-72.2	0	0	113
683	N	30.6	Very low	33.1	Very low	144 Å²	144	148 Å²	148	77%	0.77	76%	0.758	S	S	*	*			trans	-100.7	153.6	172.7	-86	-83.8	0	0	0	112
684	L	35.4	Very low	33.9	Very low	172 Å²	172	146.8 Å²	146.8	90%	0.901	75%	0.748	S	S	*	*			trans	-149.9	145.9	168.2	-106.1	163.8	0	0	0	112.5
685	K	32.2	Very low	35	Very low	193 Å²	193	144.6 Å²	144.6	84%	0.839	75%	0.745	S	S	*	*			trans	-100.2	151.9	180	-68.9	174.5	178.7	174.4	0	111.4
686	P	36.2	Very low	36.4	Very low	127 Å²	127	146.7 Å²	146.7	83%	0.825	75%	0.752	S	S	*	*			trans	-84.4	151.7	177	34	-34.7	0	0	0	113.5
687	L	35.8	Very low	37.8	Very low	179 Å²	179	145.2 Å²	145.2	94%	0.937	74%	0.743	S	S	*	*			trans	-114	169.6	173.5	-98	165.5	0	0	0	112.1
688	N	35.7	Very low	38.9	Very low	142 Å²	142	138.6 Å²	138.6	76%	0.759	72%	0.72	S	S	*	*			trans	-96.2	173.3	-157.5	-157.1	5.1	0	0	0	115.4
689	N	33.5	Very low	40.9	Very low	120 Å²	120	138.7 Å²	138.7	64%	0.642	72%	0.718	S	S	*	*			trans	-53.2	138.8	-175	-61.1	-54.6	0	0	0	115.5
690	N	35.3	Very low	42.9	Very low	143 Å²	143	142 Å²	142	77%	0.765	72%	0.721	S	S	*	*				-180	114.7	104.4	-90.2	-24.3	0	0	0	111.5
691	N	41.3	Very low	44.2	Very low	127 Å²	127	140.3 Å²	140.3	68%	0.679	71%	0.708	S	S	*	*			trans	-177.4	152	154.4	-109.5	-49.2	0	0	0	112.8	S693 N694	N691-S693 VanDerWaalsContact C-N 3.29Å; N691-S693 PolarHBondContact O-N 3.45Å; N691-N694 WeakPolarHBondContact O-CB 3.29Å; N691-N694 PolarHBondContact O-N 2.99Å; N691-N694 VanDerWaalsContact O-N 3.16Å
692	V	48.4	Very low	46.1	Very low	121 Å²	121	140.6 Å²	140.6	73%	0.733	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-28	-174.9	179	0	0	0	0	112.9	N694 K695	V692-N694 PolarHBondContact O-N 2.87Å; V692-K695 PolarHBondContact O-N 3.4Å; V692-K695 VanDerWaalsContact O-N 3.09Å
693	S	45.2	Very low	48.1	Very low	68 Å²	68	141.9 Å²	141.9	48%	0.476	70%	0.698	S	S	.	*	H	α-helix	trans	-51.8	-35.7	171.6	51.9	0	0	0	0	113	N691 K695 K696 I697	N691-S693 VanDerWaalsContact C-N 3.29Å; N691-S693 PolarHBondContact O-N 3.45Å; S693-K695 PolarHBondContact O-N 2.87Å; S693-K696 PolarHBondContact O-N 2.97Å; S693-I697 PolarHBondContact O-N 3.02Å
694	N	44.4	Very low	50	Low	76 Å²	76	140.2 Å²	140.2	41%	0.406	69%	0.689	S	S	.	*	H	α-helix	trans	-63.4	-24.3	-179.3	-70.7	-13.8	0	0	0	113.1	N691 V692 K696 I697 A698	N691-N694 WeakPolarHBondContact O-CB 3.29Å; N691-N694 PolarHBondContact O-N 2.99Å; N691-N694 VanDerWaalsContact O-N 3.16Å; V692-N694 PolarHBondContact O-N 2.87Å; N694-K696 PolarHBondContact O-N 3.47Å; N694-I697 PolarHBondContact O-N 3.26Å; N694-A698 WeakPolarHBondContact O-CB 3.28Å; N694-A698 PolarHBondContact O-N 3Å
695	K	49.1	Very low	51.6	Low	171 Å²	171	136.5 Å²	136.5	74%	0.743	67%	0.667	S	S	*	*	H	α-helix	trans	-66.8	-34.4	173.1	-80.1	-177.8	176.4	174.5	0	112.5	V692 S693 K699	V692-K695 PolarHBondContact O-N 3.4Å; V692-K695 VanDerWaalsContact O-N 3.09Å; S693-K695 PolarHBondContact O-N 2.87Å; K695-K699 PolarHBondContact O-N 3.37Å
696	K	57.7	Low	53.7	Low	179 Å²	179	136.9 Å²	136.9	78%	0.778	66%	0.663	S	S	*	*	H	α-helix	trans	-73.2	-44.6	173.4	-74.8	-175.7	178	177.5	0	110.9	S693 N694 K699 R700	S693-K696 PolarHBondContact O-N 2.97Å; N694-K696 PolarHBondContact O-N 3.47Å; K696-K699 PolarHBondContact O-N 2.88Å; K696-R700 PolarHBondContact O-N 3.48Å
697	I	56.2	Low	55.8	Low	105 Å²	105	135.8 Å²	135.8	54%	0.538	65%	0.65	S	S	.	*	H	α-helix	trans	-63.2	-47.3	179.1	-61.5	172.8	0	0	0	110.9	S693 N694 K699 R700 Y701	S693-I697 PolarHBondContact O-N 3.02Å; N694-I697 PolarHBondContact O-N 3.26Å; I697-K699 VanDerWaalsContact C-N 3.35Å; I697-K699 PolarHBondContact O-N 3.48Å; I697-R700 CarbonylContact O-C 3.57Å; I697-R700 WeakPolarHBondContact O-CA 3.34Å; I697-R700 WeakPolarHBondContact O-CB 3.5Å; I697-R700 PolarHBondContact O-N 3.1Å; I697-Y701 PolarHBondContact O-N 2.95Å
698	A	53.7	Low	57.2	Low	50 Å²	50	132 Å²	132	41%	0.413	63%	0.63	S	S	.	*	H	α-helix	trans	-63.9	-34.3	178	0	0	0	0	0	113.2	N694 K702	N694-A698 WeakPolarHBondContact O-CB 3.28Å; N694-A698 PolarHBondContact O-N 3Å; A698-K702 WeakPolarHBondContact O-CB 3.43Å; A698-K702 WeakPolarHBondContact O-CG 3.43Å; A698-K702 PolarHBondContact O-N 3.44Å
699	K	68.9	Low	58.9	Low	172 Å²	172	129.3 Å²	129.3	75%	0.748	62%	0.616	S	S	*	*	H	α-helix	trans	-63.8	-42.8	169.3	-91.4	-173.3	172.3	-177.8	0	111.5	K695 K696 I697 R703	K695-K699 PolarHBondContact O-N 3.37Å; K696-K699 PolarHBondContact O-N 2.88Å; I697-K699 VanDerWaalsContact C-N 3.35Å; I697-K699 PolarHBondContact O-N 3.48Å; K699-R703 WeakPolarHBondContact O-CB 3.47Å; K699-R703 PolarHBondContact O-N 3.24Å
700	R	67.9	Low	61	Low	201 Å²	201	125.9 Å²	125.9	76%	0.758	60%	0.604	S	S	*	*	H	α-helix	trans	-65	-43.8	177.8	-152.2	174.7	-167.7	173.4	3.5	111.4	K696 I697 R703 L704	K696-R700 PolarHBondContact O-N 3.48Å; I697-R700 CarbonylContact O-C 3.57Å; I697-R700 WeakPolarHBondContact O-CA 3.34Å; I697-R700 WeakPolarHBondContact O-CB 3.5Å; I697-R700 PolarHBondContact O-N 3.1Å; R700-R703 PolarHBondContact O-N 2.93Å; R700-L704 PolarHBondContact O-N 3.29Å
701	Y	59.3	Low	62.9	Low	155 Å²	155	124.7 Å²	124.7	61%	0.608	59%	0.594	S	S	*	*	H	α-helix	trans	-64.6	-47	176.9	-157.8	-88.3	0	0	0	112.1	I697 R703 L704 Q705	I697-Y701 PolarHBondContact O-N 2.95Å; Y701-R703 PolarHBondContact O-N 3.14Å; Y701-L704 PolarHBondContact O-N 2.84Å; Y701-Q705 WeakPolarHBondContact O-CB 3.25Å; Y701-Q705 PolarHBondContact O-N 2.94Å
702	K	68.9	Low	64	Low	144 Å²	144	122.4 Å²	122.4	63%	0.626	58%	0.581	S	S	*	*	H	α-helix	trans	-61.8	-29.1	174.1	-76.3	-176.3	175.7	-177.1	0	112.9	A698 R706	A698-K702 WeakPolarHBondContact O-CB 3.43Å; A698-K702 WeakPolarHBondContact O-CG 3.43Å; A698-K702 PolarHBondContact O-N 3.44Å; K702-R706 VanDerWaalsContact O-CG 3.27Å; K702-R706 WeakPolarHBondContact O-CG 3.3Å; K702-R706 PolarHBondContact O-N 3.32Å
703	R	75.5	Confident	65.1	Low	191 Å²	191	123.3 Å²	123.3	72%	0.721	58%	0.575	S	S	*	*	H	α-helix	trans	-73.5	-44.8	173.3	-165.4	175.7	-174.4	177.4	1.6	111.7	K699 R700 Y701 R706 L707	K699-R703 WeakPolarHBondContact O-CB 3.47Å; K699-R703 PolarHBondContact O-N 3.24Å; R700-R703 PolarHBondContact O-N 2.93Å; Y701-R703 PolarHBondContact O-N 3.14Å; R703-R706 PolarHBondContact O-N 3.43Å; R703-L707 WeakPolarHBondContact O-CG 3.32Å; R703-L707 PolarHBondContact O-N 2.84Å; R703-L707 VanDerWaalsContact O-N 3.12Å
704	L	69.9	Low	66.4	Low	108 Å²	108	125.8 Å²	125.8	57%	0.565	58%	0.579	S	S	*	*	H	α-helix	trans	-59	-46	173.5	-91.9	158.4	0	0	0	112.2	R700 Y701 R706 L707 L708	R700-L704 PolarHBondContact O-N 3.29Å; Y701-L704 PolarHBondContact O-N 2.84Å; L704-R706 VanDerWaalsContact C-N 3.32Å; L704-R706 PolarHBondContact O-N 3.18Å; L704-L707 WeakPolarHBondContact O-CB 3.46Å; L704-L707 PolarHBondContact O-N 3.33Å; L704-L707 VanDerWaalsContact O-N 3.13Å; L704-L708 PolarHBondContact O-N 3.35Å
705	Q	69	Low	67.3	Low	95 Å²	95	127 Å²	127	44%	0.444	58%	0.582	S	S	.	*	H	α-helix	trans	-68.1	-30.6	-178.9	-160.6	169.2	15.3	0	0	112.5	Y701 N709	Y701-Q705 WeakPolarHBondContact O-CB 3.25Å; Y701-Q705 PolarHBondContact O-N 2.94Å; Q705-N709 VanDerWaalsContact O-CB 3.29Å; Q705-N709 WeakPolarHBondContact O-CB 3.45Å; Q705-N709 PolarHBondContact O-N 3.13Å; Q705-N709 PolarHBondContact O-ND2 3.43Å; Q705-N709 PolarHBondContact O-OD1 2.84Å
706	R	75.9	Confident	67.5	Low	200 Å²	200	124.7 Å²	124.7	76%	0.755	57%	0.574	S	S	*	*	H	α-helix	trans	-65.8	-43.1	168.9	-76.2	172.2	-179.6	-170.2	-1.2	112.2	K702 R703 L704 A710	K702-R706 VanDerWaalsContact O-CG 3.27Å; K702-R706 WeakPolarHBondContact O-CG 3.3Å; K702-R706 PolarHBondContact O-N 3.32Å; R703-R706 PolarHBondContact O-N 3.43Å; L704-R706 VanDerWaalsContact C-N 3.32Å; L704-R706 PolarHBondContact O-N 3.18Å; R706-A710 WeakPolarHBondContact O-CB 3.22Å; R706-A710 PolarHBondContact O-N 3.43Å
707	L	79.6	Confident	67.8	Low	105 Å²	105	121.6 Å²	121.6	55%	0.55	56%	0.563	S	S	.	*	H	α-helix	trans	-64.9	-45.2	177.2	-72.2	164.6	0	0	0	111.8	R703 L704 N709 A710 Q711	R703-L707 WeakPolarHBondContact O-CG 3.32Å; R703-L707 PolarHBondContact O-N 2.84Å; R703-L707 VanDerWaalsContact O-N 3.12Å; L704-L707 WeakPolarHBondContact O-CB 3.46Å; L704-L707 PolarHBondContact O-N 3.33Å; L704-L707 VanDerWaalsContact O-N 3.13Å; L707-N709 PolarHBondContact O-N 3.2Å; L707-A710 WeakPolarHBondContact O-CB 3.35Å; L707-A710 PolarHBondContact O-N 3.3Å; L707-A710 VanDerWaalsContact O-N 3.16Å; L707-Q711 PolarHBondContact O-N 3.19Å
708	L	67	Low	67.9	Low	100 Å²	100	122.7 Å²	122.7	52%	0.524	57%	0.565	S	S	.	*	H	α-helix	trans	-61.3	-44.1	176.9	-169.3	71.1	0	0	0	111.5	L704 A710 Q711 L712	L704-L708 PolarHBondContact O-N 3.35Å; L708-A710 VanDerWaalsContact C-N 3.3Å; L708-A710 PolarHBondContact O-N 3.06Å; L708-Q711 PolarHBondContact O-N 3.33Å; L708-L712 HydrophobicContact CG-CD1 4.46Å; L708-L712 WeakPolarHBondContact O-CB 3.46Å; L708-L712 PolarHBondContact O-N 2.67Å
709	N	70.5	Confident	67.7	Low	85 Å²	85	126.4 Å²	126.4	46%	0.455	57%	0.572	S	S	.	*	H	α-helix	trans	-66.4	-30.5	176	-71.5	-2.1	0	0	0	112.6	Q705 L707 K713	Q705-N709 VanDerWaalsContact O-CB 3.29Å; Q705-N709 WeakPolarHBondContact O-CB 3.45Å; Q705-N709 PolarHBondContact O-N 3.13Å; Q705-N709 PolarHBondContact O-ND2 3.43Å; Q705-N709 PolarHBondContact O-OD1 2.84Å; L707-N709 PolarHBondContact O-N 3.2Å; N709-K713 WeakPolarHBondContact O-CG 3.28Å; N709-K713 PolarHBondContact O-N 2.99Å
710	A	77.9	Confident	66.6	Low	48 Å²	48	120.8 Å²	120.8	40%	0.397	56%	0.555	S	S	.	*	H	α-helix	trans	-70	-45.3	174	0	0	0	0	0	111.8	R706 L707 L708 L712 K713 Q714	R706-A710 WeakPolarHBondContact O-CB 3.22Å; R706-A710 PolarHBondContact O-N 3.43Å; L707-A710 WeakPolarHBondContact O-CB 3.35Å; L707-A710 PolarHBondContact O-N 3.3Å; L707-A710 VanDerWaalsContact O-N 3.16Å; L708-A710 VanDerWaalsContact C-N 3.3Å; L708-A710 PolarHBondContact O-N 3.06Å; A710-L712 VanDerWaalsContact C-N 3.34Å; A710-L712 PolarHBondContact O-N 3.12Å; A710-K713 PolarHBondContact O-N 3.41Å; A710-Q714 WeakPolarHBondContact O-CG 3.48Å; A710-Q714 PolarHBondContact O-N 3.15Å
711	Q	73.9	Confident	66.1	Low	117 Å²	117	116.9 Å²	116.9	55%	0.547	55%	0.545	S	S	.	.	H	α-helix	trans	-61.4	-40.9	173	-77.5	-174.4	-49.4	0	0	112.1	L707 L708 K713 Q714 Q715	L707-Q711 PolarHBondContact O-N 3.19Å; L708-Q711 PolarHBondContact O-N 3.33Å; Q711-K713 PolarHBondContact O-N 3.49Å; Q711-Q714 PolarHBondContact O-N 3.01Å; Q711-Q715 WeakPolarHBondContact O-CG 3.4Å; Q711-Q715 PolarHBondContact O-N 2.94Å
712	L	64.9	Low	65.9	Low	79 Å²	79	113.6 Å²	113.6	41%	0.414	54%	0.541	S	S	.	.	H	α-helix	trans	-60.1	-42.7	174.3	-91	160.8	0	0	0	112.2	L708 A710 Q715 Q716	L708-L712 HydrophobicContact CG-CD1 4.46Å; L708-L712 WeakPolarHBondContact O-CB 3.46Å; L708-L712 PolarHBondContact O-N 2.67Å; A710-L712 VanDerWaalsContact C-N 3.34Å; A710-L712 PolarHBondContact O-N 3.12Å; L712-Q715 PolarHBondContact O-N 2.89Å; L712-Q716 WeakPolarHBondContact O-CB 3.43Å; L712-Q716 VanDerWaalsContact O-CG 3.26Å; L712-Q716 WeakPolarHBondContact O-CG 3.48Å; L712-Q716 PolarHBondContact O-N 3.09Å
713	K	71.9	Confident	65.1	Low	141 Å²	141	111.5 Å²	111.5	61%	0.613	54%	0.537	S	S	*	.	H	α-helix	trans	-63.3	-44.5	174.2	-79	-171.9	173.6	-167.4	0	112.5	N709 A710 Q711 Q715 Q716 Q717	N709-K713 WeakPolarHBondContact O-CG 3.28Å; N709-K713 PolarHBondContact O-N 2.99Å; A710-K713 PolarHBondContact O-N 3.41Å; Q711-K713 PolarHBondContact O-N 3.49Å; K713-Q715 PolarHBondContact O-N 3.22Å; K713-Q716 PolarHBondContact O-N 2.83Å; K713-Q716 VanDerWaalsContact O-N 3.16Å; K713-Q717 PolarHBondContact O-N 3.49Å
714	Q	73.2	Confident	64.2	Low	119 Å²	119	108.2 Å²	108.2	56%	0.556	53%	0.53	S	S	*	.	H	α-helix	trans	-60.5	-45	176.4	-73	175.5	-24.2	0	0	111.8	A710 Q711 Q716 Q717 Q718	A710-Q714 WeakPolarHBondContact O-CG 3.48Å; A710-Q714 PolarHBondContact O-N 3.15Å; Q711-Q714 PolarHBondContact O-N 3.01Å; Q714-Q716 VanDerWaalsContact C-N 3.31Å; Q714-Q716 PolarHBondContact O-N 3.37Å; Q714-Q717 PolarHBondContact O-N 3.04Å; Q714-Q718 WeakPolarHBondContact O-CG 3.38Å; Q714-Q718 PolarHBondContact O-N 2.85Å
715	Q	62.5	Low	63.9	Low	101 Å²	101	109 Å²	109	47%	0.472	53%	0.53	S	S	.	.	H	α-helix	trans	-64.7	-32.8	175	-71.4	-173.8	16.2	0	0	113	Q711 L712 K713 K719	Q711-Q715 WeakPolarHBondContact O-CG 3.4Å; Q711-Q715 PolarHBondContact O-N 2.94Å; L712-Q715 PolarHBondContact O-N 2.89Å; K713-Q715 PolarHBondContact O-N 3.22Å; Q715-K719 VanDerWaalsContact O-CB 3.3Å; Q715-K719 WeakPolarHBondContact O-CB 3.43Å; Q715-K719 WeakPolarHBondContact O-CD 3.43Å; Q715-K719 VanDerWaalsContact O-CG 3.25Å; Q715-K719 WeakPolarHBondContact O-CG 3.37Å; Q715-K719 PolarHBondContact O-N 2.68Å; Q715-K719 VanDerWaalsContact O-N 3.11Å
716	Q	54.2	Low	63.3	Low	124 Å²	124	106.6 Å²	106.6	58%	0.579	52%	0.524	S	S	*	.	H	α-helix	trans	-70.5	-42.3	174.7	-76.3	172.3	-4.9	0	0	111.8	L712 K713 Q714 K719 S720	L712-Q716 WeakPolarHBondContact O-CB 3.43Å; L712-Q716 VanDerWaalsContact O-CG 3.26Å; L712-Q716 WeakPolarHBondContact O-CG 3.48Å; L712-Q716 PolarHBondContact O-N 3.09Å; K713-Q716 PolarHBondContact O-N 2.83Å; K713-Q716 VanDerWaalsContact O-N 3.16Å; Q714-Q716 VanDerWaalsContact C-N 3.31Å; Q714-Q716 PolarHBondContact O-N 3.37Å; Q716-K719 PolarHBondContact O-N 3.45Å; Q716-S720 PolarHBondContact O-N 3.41Å
717	Q	62.7	Low	62.5	Low	114 Å²	114	101.6 Å²	101.6	53%	0.533	52%	0.516	S	S	.	.	H	α-helix	trans	-62.8	-50.1	176.2	-73.4	178	-84.9	0	0	111.5	K713 Q714 K719 S720 E721	K713-Q717 PolarHBondContact O-N 3.49Å; Q714-Q717 PolarHBondContact O-N 3.04Å; Q717-K719 VanDerWaalsContact C-N 3.29Å; Q717-K719 PolarHBondContact O-N 2.83Å; Q717-S720 WeakPolarHBondContact O-CA 3.37Å; Q717-S720 WeakPolarHBondContact O-CB 3.45Å; Q717-S720 PolarHBondContact O-N 3.39Å; Q717-S720 PolarHBondContact O-OG 2.83Å; Q717-E721 PolarHBondContact O-N 3.19Å
718	Q	59	Low	61.7	Low	127 Å²	127	105.3 Å²	105.3	59%	0.593	52%	0.522	S	S	*	.	H	α-helix	trans	-59.7	-37.2	176.3	-71.6	178.3	-15.3	0	0	112.5	Q714 S720 T722	Q714-Q718 WeakPolarHBondContact O-CG 3.38Å; Q714-Q718 PolarHBondContact O-N 2.85Å; Q718-S720 VanDerWaalsContact C-N 3.34Å; Q718-T722 WeakPolarHBondContact O-CB 3.43Å; Q718-T722 WeakPolarHBondContact O-CG2 3.43Å; Q718-T722 PolarHBondContact O-N 2.75Å; Q718-T722 VanDerWaalsContact O-N 3.16Å; Q718-T722 PolarHBondContact O-OG1 2.74Å
719	K	48.2	Very low	61.7	Low	128 Å²	128	108.5 Å²	108.5	56%	0.557	53%	0.528	S	S	*	.	H	α-helix	trans	-69.1	-27.6	172.4	-78.9	173.1	179.5	168.9	0	113.4	Q715 Q716 Q717 T722 N723	Q715-K719 VanDerWaalsContact O-CB 3.3Å; Q715-K719 WeakPolarHBondContact O-CB 3.43Å; Q715-K719 WeakPolarHBondContact O-CD 3.43Å; Q715-K719 VanDerWaalsContact O-CG 3.25Å; Q715-K719 WeakPolarHBondContact O-CG 3.37Å; Q715-K719 PolarHBondContact O-N 2.68Å; Q715-K719 VanDerWaalsContact O-N 3.11Å; Q716-K719 PolarHBondContact O-N 3.45Å; Q717-K719 VanDerWaalsContact C-N 3.29Å; Q717-K719 PolarHBondContact O-N 2.83Å; K719-T722 WeakPolarHBondContact CA-OG1 3.39Å; K719-T722 PolarHBondContact O-OG1 3.05Å; K719-N723 VanDerWaalsContact O-CB 3.28Å; K719-N723 WeakPolarHBondContact O-CB 3.46Å; K719-N723 VanDerWaalsContact O-CG 3.29Å; K719-N723 PolarHBondContact O-N 2.86Å; K719-N723 PolarHBondContact O-ND2 3.42Å
720	S	46.1	Very low	61.2	Low	55 Å²	55	109.4 Å²	109.4	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-74.6	-44	177.3	78.2	0	0	0	0	111.5	Q716 Q717 Q718 N723 Q724	Q716-S720 PolarHBondContact O-N 3.41Å; Q717-S720 WeakPolarHBondContact O-CA 3.37Å; Q717-S720 WeakPolarHBondContact O-CB 3.45Å; Q717-S720 PolarHBondContact O-N 3.39Å; Q717-S720 PolarHBondContact O-OG 2.83Å; Q718-S720 VanDerWaalsContact C-N 3.34Å; S720-N723 PolarHBondContact O-N 3.25Å; S720-Q724 WeakPolarHBondContact O-CG 3.1Å; S720-Q724 PolarHBondContact O-N 2.92Å
721	E	57.5	Low	60.5	Low	119 Å²	119	114.4 Å²	114.4	56%	0.556	55%	0.545	S	S	*	.	H	α-helix	trans	-67.2	-47	-180	-67.7	166.7	173.7	0	0	111.8	Q717 N723 Q724 Q725	Q717-E721 PolarHBondContact O-N 3.19Å; E721-N723 VanDerWaalsContact C-N 3.33Å; E721-N723 PolarHBondContact O-N 2.89Å; E721-Q724 PolarHBondContact O-N 3.06Å; E721-Q725 PolarHBondContact O-N 2.84Å
722	T	55.2	Low	60.4	Low	86 Å²	86	114.7 Å²	114.7	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-63.7	-36.2	176.8	48.5	0	0	0	0	112.5	Q718 K719 S726	Q718-T722 WeakPolarHBondContact O-CB 3.43Å; Q718-T722 WeakPolarHBondContact O-CG2 3.43Å; Q718-T722 PolarHBondContact O-N 2.75Å; Q718-T722 VanDerWaalsContact O-N 3.16Å; Q718-T722 PolarHBondContact O-OG1 2.74Å; K719-T722 WeakPolarHBondContact CA-OG1 3.39Å; K719-T722 PolarHBondContact O-OG1 3.05Å; T722-S726 WeakPolarHBondContact O-CB 3.5Å; T722-S726 PolarHBondContact O-N 2.89Å
723	N	52.7	Low	60.6	Low	99 Å²	99	115.5 Å²	115.5	53%	0.529	55%	0.551	S	S	.	*	H	α-helix	trans	-68.9	-39.3	171.6	-81.3	-39.2	0	0	0	112.7	K719 S720 E721 Q725 S726 V727	K719-N723 VanDerWaalsContact O-CB 3.28Å; K719-N723 WeakPolarHBondContact O-CB 3.46Å; K719-N723 VanDerWaalsContact O-CG 3.29Å; K719-N723 PolarHBondContact O-N 2.86Å; K719-N723 PolarHBondContact O-ND2 3.42Å; S720-N723 PolarHBondContact O-N 3.25Å; E721-N723 VanDerWaalsContact C-N 3.33Å; E721-N723 PolarHBondContact O-N 2.89Å; N723-Q725 PolarHBondContact O-N 3.34Å; N723-S726 PolarHBondContact O-N 3.36Å; N723-S726 PolarHBondContact O-OG 3.03Å; N723-V727 WeakPolarHBondContact O-CB 3.34Å; N723-V727 VanDerWaalsContact O-CG2 3.29Å; N723-V727 WeakPolarHBondContact O-CG2 3.5Å; N723-V727 PolarHBondContact O-N 3.31Å
724	Q	56	Low	59.8	Low	123 Å²	123	116.5 Å²	116.5	58%	0.575	55%	0.552	S	S	*	*	H	α-helix	trans	-64.3	-39.7	175.8	-75	-174.5	18.3	0	0	112.1	S720 E721 R728	S720-Q724 WeakPolarHBondContact O-CG 3.1Å; S720-Q724 PolarHBondContact O-N 2.92Å; E721-Q724 PolarHBondContact O-N 3.06Å; Q724-R728 WeakPolarHBondContact O-CB 3.28Å; Q724-R728 WeakPolarHBondContact O-CG 3.41Å; Q724-R728 PolarHBondContact O-N 2.87Å
725	Q	64.3	Low	59.5	Low	123 Å²	123	115.7 Å²	115.7	58%	0.575	55%	0.55	S	S	*	*	H	α-helix	trans	-66.8	-39.9	173.4	-77.4	-170.5	-8.1	0	0	112.7	E721 N723 R728 R729	E721-Q725 PolarHBondContact O-N 2.84Å; N723-Q725 PolarHBondContact O-N 3.34Å; Q725-R728 PolarHBondContact O-N 2.82Å; Q725-R729 WeakPolarHBondContact O-CG 3.38Å; Q725-R729 PolarHBondContact O-N 3.2Å
726	S	56.9	Low	60	Low	46 Å²	46	117.5 Å²	117.5	32%	0.322	56%	0.557	S	S	.	*	H	α-helix	trans	-66.1	-40.1	177.3	77.8	0	0	0	0	111.9	T722 N723 R729 N730	T722-S726 WeakPolarHBondContact O-CB 3.5Å; T722-S726 PolarHBondContact O-N 2.89Å; N723-S726 PolarHBondContact O-N 3.36Å; N723-S726 PolarHBondContact O-OG 3.03Å; S726-R729 PolarHBondContact O-N 2.8Å; S726-N730 WeakPolarHBondContact O-CB 3.25Å; S726-N730 VanDerWaalsContact O-CG 3.26Å; S726-N730 PolarHBondContact O-N 3.43Å; S726-N730 PolarHBondContact O-ND2 2.59Å
727	V	58.6	Low	60.4	Low	94 Å²	94	117 Å²	117	57%	0.57	56%	0.555	S	S	*	*	H	α-helix	trans	-64	-42.6	173.7	170.6	0	0	0	0	111.6	N723 N730 K731	N723-V727 WeakPolarHBondContact O-CB 3.34Å; N723-V727 VanDerWaalsContact O-CG2 3.29Å; N723-V727 WeakPolarHBondContact O-CG2 3.5Å; N723-V727 PolarHBondContact O-N 3.31Å; V727-N730 PolarHBondContact O-N 2.99Å; V727-K731 WeakPolarHBondContact O-CB 3.16Å; V727-K731 PolarHBondContact O-N 2.87Å
728	R	63.5	Low	60.3	Low	183 Å²	183	119.6 Å²	119.6	69%	0.691	56%	0.56	S	S	*	*	H	α-helix	trans	-60.6	-46	174.5	-77.3	179.6	177.6	-173.3	0.7	111.9	Q724 Q725 K731 Q732	Q724-R728 WeakPolarHBondContact O-CB 3.28Å; Q724-R728 WeakPolarHBondContact O-CG 3.41Å; Q724-R728 PolarHBondContact O-N 2.87Å; Q725-R728 PolarHBondContact O-N 2.82Å; R728-K731 PolarHBondContact O-N 2.96Å; R728-Q732 PolarHBondContact O-N 3.46Å; R728-Q732 VanDerWaalsContact O-N 3.09Å
729	R	65.5	Low	60.7	Low	168 Å²	168	116.7 Å²	116.7	63%	0.634	55%	0.553	S	S	*	*	H	α-helix	trans	-62.7	-44	175.9	-73.8	-179.9	178.4	173.6	1.3	112.1	Q725 S726 K731 Q732 N733	Q725-R729 WeakPolarHBondContact O-CG 3.38Å; Q725-R729 PolarHBondContact O-N 3.2Å; S726-R729 PolarHBondContact O-N 2.8Å; R729-K731 PolarHBondContact O-N 3.38Å; R729-Q732 PolarHBondContact O-N 3.02Å; R729-N733 PolarHBondContact O-N 3.42Å
730	N	60.9	Low	61.6	Low	104 Å²	104	119.8 Å²	119.8	56%	0.556	56%	0.561	S	S	*	*	H	α-helix	trans	-63.7	-39.4	177.6	-74.3	-19	0	0	0	112.2	S726 V727 N733 Y734	S726-N730 WeakPolarHBondContact O-CB 3.25Å; S726-N730 VanDerWaalsContact O-CG 3.26Å; S726-N730 PolarHBondContact O-N 3.43Å; S726-N730 PolarHBondContact O-ND2 2.59Å; V727-N730 PolarHBondContact O-N 2.99Å; N730-N733 PolarHBondContact O-N 3.35Å; N730-Y734 WeakPolarHBondContact O-CB 3.4Å; N730-Y734 PolarHBondContact O-N 3.04Å
731	K	63.1	Low	62.3	Low	152 Å²	152	125.2 Å²	125.2	66%	0.661	57%	0.574	S	S	*	*	H	α-helix	trans	-63.3	-42.6	174.7	-167.6	172.4	-177.6	177.8	0	111.8	V727 R728 R729 I735	V727-K731 WeakPolarHBondContact O-CB 3.16Å; V727-K731 PolarHBondContact O-N 2.87Å; R728-K731 PolarHBondContact O-N 2.96Å; R729-K731 PolarHBondContact O-N 3.38Å; K731-I735 HydrophobicContact CG-CD1 4.36Å; K731-I735 WeakPolarHBondContact O-CD1 3.42Å; K731-I735 VanDerWaalsContact O-CG1 3.29Å; K731-I735 WeakPolarHBondContact O-CG1 3.29Å; K731-I735 PolarHBondContact O-N 2.92Å; K731-I735 VanDerWaalsContact O-N 3.13Å
732	Q	71.4	Confident	62.5	Low	124 Å²	124	124.1 Å²	124.1	58%	0.579	57%	0.571	S	S	*	*	H	α-helix	trans	-64.5	-42.8	174.5	-74	180	-21.2	0	0	112.7	R728 R729 I735 K736	R728-Q732 PolarHBondContact O-N 3.46Å; R728-Q732 VanDerWaalsContact O-N 3.09Å; R729-Q732 PolarHBondContact O-N 3.02Å; Q732-I735 PolarHBondContact O-N 3.32Å; Q732-K736 PolarHBondContact O-N 2.88Å
733	N	68.6	Low	63.2	Low	96 Å²	96	121.8 Å²	121.8	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-64.1	-42.1	177.4	-77.2	-12.3	0	0	0	111.9	R729 N730 I735 K736 Q737	R729-N733 PolarHBondContact O-N 3.42Å; N730-N733 PolarHBondContact O-N 3.35Å; N733-I735 VanDerWaalsContact C-N 3.34Å; N733-I735 PolarHBondContact O-N 3.48Å; N733-K736 PolarHBondContact O-N 3.46Å; N733-Q737 WeakPolarHBondContact O-CB 3.38Å; N733-Q737 PolarHBondContact O-N 2.95Å
734	Y	56.8	Low	63.9	Low	162 Å²	162	123 Å²	123	64%	0.635	56%	0.563	S	S	*	*	H	α-helix	trans	-60.6	-41.7	175.3	-172.6	-103.6	0	0	0	112.2	N730 Q737 R738	N730-Y734 WeakPolarHBondContact O-CB 3.4Å; N730-Y734 PolarHBondContact O-N 3.04Å; Y734-Q737 PolarHBondContact O-N 2.81Å; Y734-R738 WeakPolarHBondContact O-CB 3.18Å; Y734-R738 PolarHBondContact O-N 3.36Å
735	I	66.2	Low	63.6	Low	101 Å²	101	123.7 Å²	123.7	52%	0.518	56%	0.561	S	S	.	*	H	α-helix	trans	-62.4	-47.9	175	-68.2	163.8	0	0	0	111.1	K731 Q732 N733 Q737 R738 S739	K731-I735 HydrophobicContact CG-CD1 4.36Å; K731-I735 WeakPolarHBondContact O-CD1 3.42Å; K731-I735 VanDerWaalsContact O-CG1 3.29Å; K731-I735 WeakPolarHBondContact O-CG1 3.29Å; K731-I735 PolarHBondContact O-N 2.92Å; K731-I735 VanDerWaalsContact O-N 3.13Å; Q732-I735 PolarHBondContact O-N 3.32Å; N733-I735 VanDerWaalsContact C-N 3.34Å; N733-I735 PolarHBondContact O-N 3.48Å; I735-Q737 VanDerWaalsContact C-N 3.28Å; I735-Q737 PolarHBondContact O-N 3.17Å; I735-R738 PolarHBondContact O-N 3.47Å; I735-S739 PolarHBondContact O-N 2.98Å; I735-S739 PolarHBondContact O-OG 3.44Å
736	K	71.7	Confident	63.6	Low	140 Å²	140	123.5 Å²	123.5	61%	0.609	56%	0.561	S	S	*	*	H	α-helix	trans	-61.4	-33.3	175.6	-75.8	-177.5	174.7	-178.9	0	113.1	Q732 N733 S739 R740	Q732-K736 PolarHBondContact O-N 2.88Å; N733-K736 PolarHBondContact O-N 3.46Å; K736-S739 PolarHBondContact O-OG 2.95Å; K736-R740 WeakPolarHBondContact O-CB 3.39Å; K736-R740 VanDerWaalsContact O-CG 3.31Å; K736-R740 WeakPolarHBondContact O-CG 3.33Å; K736-R740 PolarHBondContact O-N 2.99Å
737	Q	64.3	Low	63.9	Low	114 Å²	114	130.1 Å²	130.1	53%	0.533	58%	0.578	S	S	.	*	H	α-helix	trans	-77.6	-35.5	178.5	-155.2	172.4	35.3	0	0	111.7	N733 Y734 I735 R741	N733-Q737 WeakPolarHBondContact O-CB 3.38Å; N733-Q737 PolarHBondContact O-N 2.95Å; Y734-Q737 PolarHBondContact O-N 2.81Å; I735-Q737 VanDerWaalsContact C-N 3.28Å; I735-Q737 PolarHBondContact O-N 3.17Å; Q737-R741 WeakPolarHBondContact O-CG 3.47Å; Q737-R741 PolarHBondContact O-N 3.42Å; Q737-R741 VanDerWaalsContact O-N 3.12Å
738	R	58.9	Low	63.8	Low	168 Å²	168	135.3 Å²	135.3	63%	0.634	59%	0.588	S	S	*	*	H	α-helix	trans	-65	-45.9	172.9	-170.5	-178.3	-176.7	-152.6	1.4	111.7	Y734 I735 R741 L742	Y734-R738 WeakPolarHBondContact O-CB 3.18Å; Y734-R738 PolarHBondContact O-N 3.36Å; I735-R738 PolarHBondContact O-N 3.47Å; R738-R741 PolarHBondContact O-N 2.86Å; R738-L742 HydrophobicContact CG-CD1 4.22Å; R738-L742 WeakPolarHBondContact O-CG 3.38Å; R738-L742 PolarHBondContact O-N 3.45Å
739	S	67.6	Low	63.3	Low	66 Å²	66	131.7 Å²	131.7	46%	0.462	58%	0.578	S	S	.	*	H	α-helix	trans	-66.1	-40.5	178.8	61.1	0	0	0	0	112.6	I735 K736 R741 L742 A743	I735-S739 PolarHBondContact O-N 2.98Å; I735-S739 PolarHBondContact O-OG 3.44Å; K736-S739 PolarHBondContact O-OG 2.95Å; S739-R741 PolarHBondContact O-N 3.04Å; S739-L742 PolarHBondContact O-N 3.23Å; S739-A743 PolarHBondContact O-N 3.4Å
740	R	67.2	Low	62.7	Low	192 Å²	192	128.7 Å²	128.7	73%	0.725	58%	0.575	S	S	*	*	H	α-helix	trans	-58.7	-42.5	172.2	-78	177.7	173.8	-168.7	-2.9	112.7	K736 A743 Q744	K736-R740 WeakPolarHBondContact O-CB 3.39Å; K736-R740 VanDerWaalsContact O-CG 3.31Å; K736-R740 WeakPolarHBondContact O-CG 3.33Å; K736-R740 PolarHBondContact O-N 2.99Å; R740-A743 PolarHBondContact O-N 3.33Å; R740-Q744 WeakPolarHBondContact O-CG 3.3Å; R740-Q744 PolarHBondContact O-N 3.19Å
741	R	60.6	Low	62.3	Low	170 Å²	170	131.9 Å²	131.9	64%	0.642	58%	0.579	S	S	*	*	H	α-helix	trans	-65.9	-41.1	176.5	-77.1	-179.7	174.9	-174.1	-1.6	112.8	Q737 R738 S739 Q744 Y745	Q737-R741 WeakPolarHBondContact O-CG 3.47Å; Q737-R741 PolarHBondContact O-N 3.42Å; Q737-R741 VanDerWaalsContact O-N 3.12Å; R738-R741 PolarHBondContact O-N 2.86Å; S739-R741 PolarHBondContact O-N 3.04Å; R741-Q744 PolarHBondContact O-N 3.15Å; R741-Y745 WeakPolarHBondContact O-CB 3.33Å; R741-Y745 PolarHBondContact O-N 2.8Å
742	L	62.7	Low	61.4	Low	95 Å²	95	127 Å²	127	50%	0.497	57%	0.567	S	S	.	*	H	α-helix	trans	-62.2	-46.5	175.4	-73.9	164.4	0	0	0	111.5	R738 S739 Q744 Y745 Q746	R738-L742 HydrophobicContact CG-CD1 4.22Å; R738-L742 WeakPolarHBondContact O-CG 3.38Å; R738-L742 PolarHBondContact O-N 3.45Å; S739-L742 PolarHBondContact O-N 3.23Å; L742-Q744 VanDerWaalsContact C-N 3.34Å; L742-Q744 PolarHBondContact O-N 2.77Å; L742-Y745 WeakPolarHBondContact O-CB 3.17Å; L742-Y745 PolarHBondContact O-N 2.85Å; L742-Y745 VanDerWaalsContact O-N 3.14Å; L742-Q746 WeakPolarHBondContact O-CG 3.4Å; L742-Q746 PolarHBondContact O-N 2.75Å
743	A	69.1	Low	60.1	Low	38 Å²	38	124.8 Å²	124.8	31%	0.314	57%	0.566	S	S	.	*	H	α-helix	trans	-63.3	-36.4	176.4	0	0	0	0	0	112.9	S739 R740 R747	S739-A743 PolarHBondContact O-N 3.4Å; R740-A743 PolarHBondContact O-N 3.33Å; A743-R747 WeakPolarHBondContact O-CB 3.47Å; A743-R747 VanDerWaalsContact O-CG 3.25Å; A743-R747 WeakPolarHBondContact O-CG 3.47Å; A743-R747 PolarHBondContact O-N 3.23Å
744	Q	67.2	Low	59	Low	125 Å²	125	127 Å²	127	58%	0.584	57%	0.573	S	S	*	*	H	α-helix	trans	-66.9	-38.8	171.9	-80	-178.3	-35.5	0	0	112.6	R740 R741 L742 R747 R748	R740-Q744 WeakPolarHBondContact O-CG 3.3Å; R740-Q744 PolarHBondContact O-N 3.19Å; R741-Q744 PolarHBondContact O-N 3.15Å; L742-Q744 VanDerWaalsContact C-N 3.34Å; L742-Q744 PolarHBondContact O-N 2.77Å; Q744-R747 PolarHBondContact O-N 2.73Å; Q744-R748 WeakPolarHBondContact O-CG 3.2Å; Q744-R748 PolarHBondContact O-N 3.38Å
745	Y	51.5	Low	58.1	Low	136 Å²	136	125.7 Å²	125.7	53%	0.533	58%	0.577	S	S	.	*	H	α-helix	trans	-63.5	-49.1	176.6	-172.1	-90.5	0	0	0	111	R741 L742 R747 R748 H749	R741-Y745 WeakPolarHBondContact O-CB 3.33Å; R741-Y745 PolarHBondContact O-N 2.8Å; L742-Y745 WeakPolarHBondContact O-CB 3.17Å; L742-Y745 PolarHBondContact O-N 2.85Å; L742-Y745 VanDerWaalsContact O-N 3.14Å; Y745-R747 PolarHBondContact O-N 3.32Å; Y745-R748 PolarHBondContact O-N 3.31Å; Y745-R748 VanDerWaalsContact O-N 3.16Å; Y745-H749 AromaticContact CE1-CD2 3.77Å; Y745-H749 PolarHBondContact O-N 3.26Å
746	Q	62.9	Low	56.5	Low	120 Å²	120	129.5 Å²	129.5	56%	0.561	59%	0.585	S	S	*	*	H	α-helix	trans	-58	-47	175.6	-70.1	170.4	-56.3	0	0	111.8	L742 R748 H749 N750	L742-Q746 WeakPolarHBondContact O-CG 3.4Å; L742-Q746 PolarHBondContact O-N 2.75Å; Q746-R748 VanDerWaalsContact C-N 3.29Å; Q746-R748 PolarHBondContact O-N 2.8Å; Q746-H749 PolarHBondContact O-N 3.3Å; Q746-H749 VanDerWaalsContact O-N 3.15Å; Q746-N750 PolarHBondContact O-N 2.86Å; Q746-N750 PolarHBondContact O-OD1 3.22Å; Q746-N750 VanDerWaalsContact O-OD1 3.07Å
747	R	63.7	Low	54.6	Low	184 Å²	184	133 Å²	133	69%	0.694	60%	0.596	S	S	*	*	H	α-helix	trans	-61.4	-32.5	176.7	-73.7	174.3	-176.9	-162.2	-0.4	113.8	A743 Q744 Y745 R751	A743-R747 WeakPolarHBondContact O-CB 3.47Å; A743-R747 VanDerWaalsContact O-CG 3.25Å; A743-R747 WeakPolarHBondContact O-CG 3.47Å; A743-R747 PolarHBondContact O-N 3.23Å; Q744-R747 PolarHBondContact O-N 2.73Å; Y745-R747 PolarHBondContact O-N 3.32Å; R747-R751 WeakPolarHBondContact O-CG 3.49Å; R747-R751 PolarHBondContact O-N 2.78Å
748	R	55.9	Low	53.2	Low	203 Å²	203	137.7 Å²	137.7	77%	0.766	61%	0.61	S	S	*	*	H	α-helix	trans	-74.2	-40.3	173.3	-77.3	-177.2	172.8	-173.5	-3.3	112	Q744 Y745 Q746 R751 A752	Q744-R748 WeakPolarHBondContact O-CG 3.2Å; Q744-R748 PolarHBondContact O-N 3.38Å; Y745-R748 PolarHBondContact O-N 3.31Å; Y745-R748 VanDerWaalsContact O-N 3.16Å; Q746-R748 VanDerWaalsContact C-N 3.29Å; Q746-R748 PolarHBondContact O-N 2.8Å; R748-R751 PolarHBondContact O-N 3.4Å; R748-A752 WeakPolarHBondContact O-CB 3.31Å; R748-A752 PolarHBondContact O-N 2.89Å
749	H	53.4	Low	51.8	Low	107 Å²	107	140.3 Å²	140.3	50%	0.495	62%	0.621	S	S	.	*	H	α-helix	trans	-65.6	-38.2	-179.8	-144.4	-68.6	0	0	0	112.4	Y745 Q746 S753	Y745-H749 AromaticContact CE1-CD2 3.77Å; Y745-H749 PolarHBondContact O-N 3.26Å; Q746-H749 PolarHBondContact O-N 3.3Å; Q746-H749 VanDerWaalsContact O-N 3.15Å; H749-S753 PolarHBondContact O-N 3.24Å
750	N	53.3	Low	50	Low	106 Å²	106	142.5 Å²	142.5	57%	0.567	64%	0.637	S	S	*	*	H	α-helix	trans	-68.4	-40.6	176.9	-67.7	25.5	0	0	0	111.7	Q746 S753 Q754	Q746-N750 PolarHBondContact O-N 2.86Å; Q746-N750 PolarHBondContact O-OD1 3.22Å; Q746-N750 VanDerWaalsContact O-OD1 3.07Å; N750-S753 WeakPolarHBondContact O-CB 3.35Å; N750-S753 PolarHBondContact O-N 3.26Å; N750-S753 VanDerWaalsContact O-N 3.14Å; N750-Q754 PolarHBondContact O-N 3.4Å
751	R	51.9	Low	48.2	Very low	170 Å²	170	141.3 Å²	141.3	64%	0.642	65%	0.645	S	S	*	*	H	α-helix	trans	-64.8	-47.2	176.1	-72.8	175.6	178.6	179.5	-4.4	112.2	R747 R748 S753 Q754 D755	R747-R751 WeakPolarHBondContact O-CG 3.49Å; R747-R751 PolarHBondContact O-N 2.78Å; R748-R751 PolarHBondContact O-N 3.4Å; R751-S753 PolarHBondContact O-N 2.88Å; R751-Q754 PolarHBondContact O-N 3.39Å; R751-D755 VanDerWaalsContact O-CG 3.25Å; R751-D755 PolarHBondContact O-N 3.39Å; R751-D755 VanDerWaalsContact O-OD2 3.07Å
752	A	45.3	Very low	47	Very low	50 Å²	50	140.3 Å²	140.3	41%	0.413	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	4.4	173	0	0	0	0	0	114.8	R748 R756	R748-A752 WeakPolarHBondContact O-CB 3.31Å; R748-A752 PolarHBondContact O-N 2.89Å; A752-R756 PolarHBondContact O-NH2 3.37Å
753	S	42.9	Very low	45.6	Very low	78 Å²	78	142.7 Å²	142.7	55%	0.545	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.7	-9.4	169	-164.2	0	0	0	0	113.4	H749 N750 R751	H749-S753 PolarHBondContact O-N 3.24Å; N750-S753 WeakPolarHBondContact O-CB 3.35Å; N750-S753 PolarHBondContact O-N 3.26Å; N750-S753 VanDerWaalsContact O-N 3.14Å; R751-S753 PolarHBondContact O-N 2.88Å
754	Q	45.7	Very low	43.8	Very low	141 Å²	141	144.2 Å²	144.2	66%	0.659	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-36.2	172.5	-64.5	-179	-85.3	0	0	110.9	N750 R751 R756	N750-Q754 PolarHBondContact O-N 3.4Å; R751-Q754 PolarHBondContact O-N 3.39Å; Q754-R756 PolarHBondContact O-N 2.97Å
755	D	37.3	Very low	42.1	Very low	136 Å²	136	143.3 Å²	143.3	73%	0.727	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	25.2	-177.9	-51.4	-36.5	0	0	0	114.3	R751	R751-D755 VanDerWaalsContact O-CG 3.25Å; R751-D755 PolarHBondContact O-N 3.39Å; R751-D755 VanDerWaalsContact O-OD2 3.07Å
756	R	33.6	Very low	41.2	Very low	180 Å²	180	143.4 Å²	143.4	68%	0.679	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.7	27.5	-168.5	-146.2	-169.4	-53.3	-174.2	6.4	114.8	A752 Q754	A752-R756 PolarHBondContact O-NH2 3.37Å; Q754-R756 PolarHBondContact O-N 2.97Å
757	Y	32.7	Very low	39.8	Very low	215 Å²	215	146.1 Å²	146.1	84%	0.843	70%	0.699	S	S	*	*			trans	-117.5	32	-173.6	-112.6	-77.1	0	0	0	113.2
758	Y	33.5	Very low	38.2	Very low	212 Å²	212	144.9 Å²	144.9	83%	0.831	70%	0.704	S	S	*	*	S	Bend	trans	-141.1	139.6	-179.6	-125.4	-110.6	0	0	0	109.4
759	Y	30.7	Very low	37.1	Very low	222 Å²	222	141.3 Å²	141.3	87%	0.871	71%	0.705	S	S	*	*			trans	67	95.1	-173.9	-74.9	-89.4	0	0	0	117.6
760	S	28.8	Very low	36	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	72%	0.717	S	S	*	*			trans	-164.5	115.2	149.3	56.1	0	0	0	0	109.7
761	D	30.6	Very low	35	Very low	166 Å²	166	146.5 Å²	146.5	89%	0.888	73%	0.731	S	S	*	*			trans	-163.9	164.2	168.8	-108.7	-36.9	0	0	0	110.6
762	L	35.1	Very low	34.1	Very low	150 Å²	150	146 Å²	146	79%	0.785	74%	0.736	S	S	*	*			trans	80.5	103.4	178.2	-68	138.5	0	0	0	118.5
763	D	33.6	Very low	33.5	Very low	144 Å²	144	149.5 Å²	149.5	77%	0.77	75%	0.747	S	S	*	*			trans	102.6	129.1	137.7	-62.2	-9.5	0	0	0	121.3
764	S	30.2	Very low	33.2	Very low	71 Å²	71	151.9 Å²	151.9	50%	0.497	75%	0.753	S	S	.	*			trans	-118.4	-166.4	-175.9	56.4	0	0	0	0	110
765	T	31.8	Very low	32.5	Very low	106 Å²	106	151.4 Å²	151.4	65%	0.65	76%	0.755	S	S	*	*			cis	-168.1	168.9	25	-22.1	0	0	0	0	110.6
766	N	33.2	Very low	32.3	Very low	137 Å²	137	152 Å²	152	73%	0.733	75%	0.753	S	S	*	*			trans	115.8	140.8	143.7	-73.8	1.3	0	0	0	122.7
767	E	32.5	Very low	32.3	Very low	178 Å²	178	149.7 Å²	149.7	83%	0.832	75%	0.754	S	S	*	*			trans	80.3	146.1	157.1	-76.6	164.9	-150.2	0	0	122
768	I	29.5	Very low	32.4	Very low	157 Å²	157	145.7 Å²	145.7	81%	0.805	75%	0.746	S	S	*	*			trans	-157.7	152.4	-147.1	-66.8	168.8	0	0	0	108
769	V	34.5	Very low	32.4	Very low	128 Å²	128	140.7 Å²	140.7	78%	0.776	74%	0.742	S	S	*	*			trans	-174.5	149.8	136.8	142.5	0	0	0	0	112.6
770	E	30	Very low	32.5	Very low	162 Å²	162	134.3 Å²	134.3	76%	0.757	73%	0.73	S	S	*	*			trans	-61.8	161.7	-169.1	-62.6	137.2	151.3	0	0	117.8
771	D	31.8	Very low	32.9	Very low	161 Å²	161	135.5 Å²	135.5	86%	0.861	72%	0.723	S	S	*	*				-168.2	179.6	94.3	-143.7	-22.3	0	0	0	112.7
772	H	32.4	Very low	33	Very low	159 Å²	159	136.8 Å²	136.8	74%	0.736	72%	0.715	S	S	*	*			trans	-122	170.2	-146.9	-129	-102.9	0	0	0	118.7
773	D	33.9	Very low	32.9	Very low	123 Å²	123	137.4 Å²	137.4	66%	0.658	71%	0.711	S	S	*	*				114.7	135.6	129.6	-101.5	-0.4	0	0	0	127.6
774	I	35.2	Very low	32.9	Very low	128 Å²	128	136.2 Å²	136.2	66%	0.656	70%	0.704	S	S	*	*			trans	78.9	104.9	147.1	-63.5	160	0	0	0	123.5
775	N	31.3	Very low	33.2	Very low	131 Å²	131	138.4 Å²	138.4	70%	0.701	71%	0.714	S	S	*	*				45.1	167.8	128.8	-53.1	3.3	0	0	0	122.9
776	E	33.1	Very low	33.4	Very low	150 Å²	150	140 Å²	140	70%	0.701	71%	0.714	S	S	*	*			cis	-158.8	157.7	15.4	-147.6	140.7	-107.1	0	0	114.1
777	D	34.4	Very low	33.4	Very low	130 Å²	130	139.9 Å²	139.9	70%	0.695	71%	0.713	S	S	*	*			trans	59.8	152.6	146	-88.1	16.9	0	0	0	125.1
778	I	33.5	Very low	33.4	Very low	132 Å²	132	136.9 Å²	136.9	68%	0.677	71%	0.712	S	S	*	*			cis	-162.8	166.7	-25.7	-136.1	178.9	0	0	0	112
779	S	33.8	Very low	33.5	Very low	106 Å²	106	138 Å²	138	74%	0.741	71%	0.707	S	S	*	*			trans	73	149.4	163.3	78.2	0	0	0	0	120.5
780	S	34	Very low	33.5	Very low	88 Å²	88	138.6 Å²	138.6	62%	0.615	71%	0.706	S	S	*	*			cis	-164.2	153.8	-26	57.8	0	0	0	0	113.9
781	H	36.6	Very low	33.6	Very low	138 Å²	138	135.9 Å²	135.9	64%	0.639	70%	0.697	S	S	*	*			trans	73.3	151.1	150	-68.7	4.2	0	0	0	119.5
782	R	31.7	Very low	33.5	Very low	193 Å²	193	134.8 Å²	134.8	73%	0.728	69%	0.691	S	S	*	*			cis	-172.7	161.1	-11.6	-108	173.4	-175.6	162.3	4.4	106.7
783	K	34.2	Very low	33.4	Very low	163 Å²	163	136.3 Å²	136.3	71%	0.709	69%	0.691	S	S	*	*			cis	-168.7	142.5	-5.9	-142.4	-175.4	172.2	-163.2	0	108.5
784	I	32.3	Very low	33.2	Very low	120 Å²	120	136.9 Å²	136.9	62%	0.615	69%	0.689	S	S	*	*			trans	68	152.9	146.7	-75	167.3	0	0	0	118.5
785	T	38.4	Very low	32.9	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	69%	0.693	S	S	*	*			cis	-110.3	146.4	3.4	44.1	0	0	0	0	112.5
786	H	34.7	Very low	32.8	Very low	139 Å²	139	138.3 Å²	138.3	64%	0.644	69%	0.693	S	S	*	*				50.9	138.8	76.7	-63.4	-57.9	0	0	0	115.4
787	N	32.7	Very low	32.8	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	69%	0.686	S	S	*	*			cis	-165.2	145.8	-6.8	-114.8	7.5	0	0	0	110.6
788	S	34.5	Very low	32.5	Very low	115 Å²	115	136 Å²	136	80%	0.804	69%	0.691	S	S	*	*			trans	-175.8	143.9	131.3	-165.8	0	0	0	0	111.7
789	Y	29.9	Very low	32.4	Very low	181 Å²	181	136.8 Å²	136.8	71%	0.71	69%	0.691	S	S	*	*			trans	-80.1	164.6	165.2	-77.9	-108.9	0	0	0	108.3
790	D	36	Very low	32.3	Very low	140 Å²	140	141.1 Å²	141.1	75%	0.749	70%	0.699	S	S	*	*				-145.7	137.9	54.8	-106.6	-55	0	0	0	116.9
791	N	31.5	Very low	32.1	Very low	105 Å²	105	144.2 Å²	144.2	56%	0.561	70%	0.704	S	S	*	*			trans	6	131.5	135.6	-55.6	-56.6	0	0	0	117
792	N	30.5	Very low	31.9	Very low	139 Å²	139	146.4 Å²	146.4	74%	0.743	71%	0.714	S	S	*	*				-178	160.9	65.3	-114.5	-42.2	0	0	0	114.6
793	R	29.4	Very low	31.9	Very low	191 Å²	191	146.4 Å²	146.4	72%	0.721	72%	0.722	S	S	*	*			trans	72.7	114.1	149.7	-72.5	-167.3	151.5	119.2	6.7	123.7
794	E	29.6	Very low	31.8	Very low	134 Å²	134	145.8 Å²	145.8	63%	0.626	72%	0.722	S	S	*	*				76.4	86.4	118.8	-65.6	155.8	-161.3	0	0	121
795	N	28.3	Very low	31.6	Very low	138 Å²	138	148.1 Å²	148.1	74%	0.738	72%	0.724	S	S	*	*				67.2	159.2	117.9	-55.7	-6.4	0	0	0	123.9
796	H	30.8	Very low	31.3	Very low	151 Å²	151	153.8 Å²	153.8	70%	0.699	73%	0.732	S	S	*	*			trans	89.1	133.6	156.7	-73.5	-75	0	0	0	121.9
797	H	32.3	Very low	31.1	Very low	119 Å²	119	156.1 Å²	156.1	55%	0.551	74%	0.737	S	S	*	*			trans	41	116.9	165.3	-53.6	-64.5	0	0	0	119.6
798	S	28.9	Very low	31.1	Very low	114 Å²	114	153.4 Å²	153.4	80%	0.797	72%	0.722	S	S	*	*			cis	78.8	40.5	18.9	-40.7	0	0	0	0	118.2
799	Q	30.3	Very low	31.3	Very low	147 Å²	147	152.5 Å²	152.5	69%	0.687	71%	0.708	S	S	*	*			trans	-153.6	31.8	167.5	-121.7	160.5	5.9	0	0	119.1
800	H	32.4	Very low	31.4	Very low	198 Å²	198	148.7 Å²	148.7	92%	0.917	70%	0.703	S	S	*	*			trans	-141.1	78.9	174.1	-82.6	-39	0	0	0	114.4
801	Q	29.1	Very low	31.4	Very low	153 Å²	153	147.5 Å²	147.5	72%	0.715	69%	0.691	S	S	*	*			trans	-126.5	-3.4	-178.6	-72.5	-165.7	-3	0	0	117.8
802	H	32.6	Very low	31.5	Very low	184 Å²	184	145.5 Å²	145.5	85%	0.852	69%	0.686	S	S	*	*	S	Bend	trans	-110.6	6.5	-168.2	-81.1	-8.4	0	0	0	118.7
803	Q	31.6	Very low	31.6	Very low	192 Å²	192	147.8 Å²	147.8	90%	0.897	69%	0.685	S	S	*	*	S	Bend	trans	-120.3	-22.9	176.1	-66.8	-171.4	0.7	0	0	116.1
804	Q	32.1	Very low	31.9	Very low	150 Å²	150	144.3 Å²	144.3	70%	0.701	68%	0.677	S	S	*	*	S	Bend	trans	-83.7	-20.8	176.3	-70.5	-177.6	-0.2	0	0	113.8	R806 Y807	Q804-R806 PolarHBondContact O-N 3.04Å; Q804-Y807 PolarHBondContact O-N 2.92Å
805	Y	28.3	Very low	32.2	Very low	169 Å²	169	140.8 Å²	140.8	66%	0.663	67%	0.667	S	S	*	*	H	α-helix	trans	-62.2	-18.2	-172	-118.4	-79.4	0	0	0	115.3	I809	Y805-I809 HydrophobicContact CD1-CD1 4.44Å; Y805-I809 VanDerWaalsContact O-CD1 3.23Å; Y805-I809 WeakPolarHBondContact O-CD1 3.49Å; Y805-I809 WeakPolarHBondContact O-CG1 3.47Å
806	R	32.4	Very low	32.5	Very low	236 Å²	236	140.4 Å²	140.4	89%	0.891	67%	0.665	S	S	*	*	H	α-helix	trans	-90.3	-8.7	-173.4	-148.9	169.4	-171.7	160.4	3	115.2	Q804	Q804-R806 PolarHBondContact O-N 3.04Å
807	Y	31	Very low	32.9	Very low	189 Å²	189	136.4 Å²	136.4	74%	0.741	65%	0.651	S	S	*	*	H	α-helix	trans	-109	-38	178.7	-122	-90.4	0	0	0	113.8	Q804 I809 T810	Q804-Y807 PolarHBondContact O-N 2.92Å; Y807-I809 PolarHBondContact O-N 2.95Å; Y807-T810 PolarHBondContact O-N 3.39Å; Y807-T810 PolarHBondContact O-OG1 3.09Å
808	D	31.2	Very low	33.2	Very low	76 Å²	76	135.4 Å²	135.4	41%	0.406	65%	0.65	S	S	.	*	H	α-helix	trans	-80.6	-10.7	-174.6	-77.3	-51.7	0	0	0	115.1	T810 K811 S812	D808-T810 PolarHBondContact O-N 2.93Å; D808-K811 WeakPolarHBondContact O-CB 3.35Å; D808-K811 PolarHBondContact O-N 3.19Å; D808-K811 WeakPolarHBondContact OD1-CD 3.45Å; D808-K811 IonicContact OD1-NZ 2.71Å; D808-K811 PolarHBondContact OD1-NZ 3.41Å; D808-S812 PolarHBondContact O-N 2.86Å; D808-S812 VanDerWaalsContact O-N 3.09Å
809	I	38.3	Very low	33.7	Very low	97 Å²	97	138.4 Å²	138.4	50%	0.497	65%	0.651	S	S	.	*	H	α-helix	trans	-55.9	-33.4	169	-67.9	170.4	0	0	0	111.1	Y805 Y807 K811	Y805-I809 HydrophobicContact CD1-CD1 4.44Å; Y805-I809 VanDerWaalsContact O-CD1 3.23Å; Y805-I809 WeakPolarHBondContact O-CD1 3.49Å; Y805-I809 WeakPolarHBondContact O-CG1 3.47Å; Y807-I809 PolarHBondContact O-N 2.95Å; I809-K811 PolarHBondContact O-N 3.2Å
810	T	33.8	Very low	34	Very low	101 Å²	101	137 Å²	137	62%	0.62	65%	0.652	S	S	*	*	H	α-helix	trans	-71.7	-15.1	177	66.7	0	0	0	0	114	Y807 D808	Y807-T810 PolarHBondContact O-N 3.39Å; Y807-T810 PolarHBondContact O-OG1 3.09Å; D808-T810 PolarHBondContact O-N 2.93Å
811	K	34.7	Very low	34.2	Very low	114 Å²	114	132.1 Å²	132.1	50%	0.496	63%	0.633	S	S	.	*	H	α-helix	trans	-99.8	-46	-178.4	-99.3	166.1	172.4	177.4	0	113	D808 I809 Y813 H814 S815	D808-K811 WeakPolarHBondContact O-CB 3.35Å; D808-K811 PolarHBondContact O-N 3.19Å; D808-K811 WeakPolarHBondContact OD1-CD 3.45Å; D808-K811 IonicContact OD1-NZ 2.71Å; D808-K811 PolarHBondContact OD1-NZ 3.41Å; I809-K811 PolarHBondContact O-N 3.2Å; K811-Y813 VanDerWaalsContact C-N 3.33Å; K811-Y813 PolarHBondContact O-N 2.9Å; K811-H814 WeakPolarHBondContact O-CA 3.36Å; K811-H814 PolarHBondContact O-N 2.99Å; K811-S815 PolarHBondContact O-N 3.34Å
812	S	33.5	Very low	34.9	Very low	64 Å²	64	128.6 Å²	128.6	45%	0.448	62%	0.619	S	S	.	*	H	α-helix	trans	-62.9	-39.7	-175.7	59.1	0	0	0	0	112.3	D808 H814 S815	D808-S812 PolarHBondContact O-N 2.86Å; D808-S812 VanDerWaalsContact O-N 3.09Å; S812-H814 PolarHBondContact O-N 3.07Å; S812-S815 PolarHBondContact O-OG 3.25Å
813	Y	33.9	Very low	35.4	Very low	186 Å²	186	127.9 Å²	127.9	73%	0.729	62%	0.616	S	S	*	*	H	α-helix	trans	-60.2	-28.2	171.4	-113.3	-84.8	0	0	0	113.2	K811	K811-Y813 VanDerWaalsContact C-N 3.33Å; K811-Y813 PolarHBondContact O-N 2.9Å
814	H	35.6	Very low	36.3	Very low	118 Å²	118	125.2 Å²	125.2	55%	0.546	60%	0.603	S	S	.	*	H	α-helix	trans	-94.8	-15	-170.6	-139.1	-43.3	0	0	0	114	K811 S812 L818	K811-H814 WeakPolarHBondContact O-CA 3.36Å; K811-H814 PolarHBondContact O-N 2.99Å; S812-H814 PolarHBondContact O-N 3.07Å; H814-L818 WeakPolarHBondContact O-CD1 3.11Å
815	S	34.6	Very low	37.2	Very low	60 Å²	60	123.7 Å²	123.7	42%	0.42	59%	0.592	S	S	.	*	H	α-helix	trans	-91.1	-43.7	174.9	53.6	0	0	0	0	113.3	K811 S812	K811-S815 PolarHBondContact O-N 3.34Å; S812-S815 PolarHBondContact O-OG 3.25Å
816	N	35.6	Very low	38.7	Very low	131 Å²	131	120.4 Å²	120.4	70%	0.701	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-14	-160.6	-65.3	8.1	0	0	0	114.3
817	V	39	Very low	40.2	Very low	66 Å²	66	114 Å²	114	40%	0.4	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	-19.3	178.6	-176.1	0	0	0	0	112.7	Q819	V817-Q819 PolarHBondContact O-N 3.28Å
818	L	37.9	Very low	42.4	Very low	99 Å²	99	107.4 Å²	107.4	52%	0.518	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.7	-162.9	-72.5	178.3	0	0	0	116.6	H814 N822	H814-L818 WeakPolarHBondContact O-CD1 3.11Å; L818-N822 PolarHBondContact O-ND2 3.47Å; L818-N822 VanDerWaalsContact O-ND2 3.09Å
819	Q	39.3	Very low	45.1	Very low	177 Å²	177	104.2 Å²	104.2	83%	0.827	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-14.2	-167.9	-60.3	-166.3	12	0	0	115.7	V817	V817-Q819 PolarHBondContact O-N 3.28Å
820	T	36.8	Very low	47.7	Very low	116 Å²	116	100 Å²	100	71%	0.712	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	-35.2	-179.2	49.3	0	0	0	0	114.6	N822	T820-N822 PolarHBondContact O-N 3.27Å
821	N	37.4	Very low	50.4	Low	96 Å²	96	98.5 Å²	98.5	51%	0.513	50%	0.496	S	S	.	.			trans	-98.6	20.9	-166.1	-69.4	-9.5	0	0	0	115.8	H823 H824 Y825	N821-H823 VanDerWaalsContact C-N 3.32Å; N821-H823 PolarHBondContact O-N 3.38Å; N821-H823 VanDerWaalsContact O-N 3.15Å; N821-H824 PolarHBondContact O-N 3.38Å; N821-Y825 PolarHBondContact O-N 3Å
822	N	42.9	Very low	53.3	Low	80 Å²	80	97.5 Å²	97.5	43%	0.428	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-29.5	-167.8	-83	-58.7	0	0	0	115.8	L818 T820 L826	L818-N822 PolarHBondContact O-ND2 3.47Å; L818-N822 VanDerWaalsContact O-ND2 3.09Å; T820-N822 PolarHBondContact O-N 3.27Å; N822-L826 WeakPolarHBondContact O-CG 3.38Å; N822-L826 PolarHBondContact O-N 3.36Å
823	H	42.7	Very low	56.1	Low	168 Å²	168	96.9 Å²	96.9	78%	0.778	48%	0.477	S	S	*	.	H	α-helix	trans	-70.8	-48.6	175.9	-82.5	41.2	0	0	0	111.7	N821 Y825 L826 D827	N821-H823 VanDerWaalsContact C-N 3.32Å; N821-H823 PolarHBondContact O-N 3.38Å; N821-H823 VanDerWaalsContact O-N 3.15Å; H823-Y825 VanDerWaalsContact C-N 3.3Å; H823-Y825 PolarHBondContact O-N 3.15Å; H823-L826 PolarHBondContact O-N 2.9Å; H823-D827 PolarHBondContact O-N 3.45Å
824	H	51.5	Low	59	Low	136 Å²	136	94.4 Å²	94.4	63%	0.63	47%	0.472	S	S	*	.	H	α-helix	trans	-65.8	-32.5	-176.6	-158.6	-32.7	0	0	0	112.4	N821 D827 T828	N821-H824 PolarHBondContact O-N 3.38Å; H824-D827 PolarHBondContact O-N 3.08Å; H824-T828 WeakPolarHBondContact O-CG2 3.17Å; H824-T828 PolarHBondContact O-N 3.29Å; H824-T828 VanDerWaalsContact O-N 3.12Å; H824-T828 PolarHBondContact O-OG1 3.34Å
825	Y	50.7	Low	61.8	Low	118 Å²	118	92.3 Å²	92.3	46%	0.463	47%	0.465	S	S	.	.	H	α-helix	trans	-66.8	-45.5	173.8	-179.5	-95	0	0	0	112.4	N821 H823 D827 T828 T829	N821-Y825 PolarHBondContact O-N 3Å; H823-Y825 VanDerWaalsContact C-N 3.3Å; H823-Y825 PolarHBondContact O-N 3.15Å; Y825-D827 VanDerWaalsContact C-N 3.28Å; Y825-D827 PolarHBondContact O-N 2.99Å; Y825-T828 PolarHBondContact O-N 3.25Å; Y825-T828 PolarHBondContact O-OG1 3.49Å; Y825-T829 HydrophobicContact CD1-CG2 4.22Å; Y825-T829 HydrophobicContact CE1-CG2 3.77Å; Y825-T829 HydrophobicContact CE2-CG2 4.24Å; Y825-T829 WeakPolarHBondContact O-CG2 3.47Å; Y825-T829 PolarHBondContact O-N 3.28Å; Y825-T829 VanDerWaalsContact O-N 3.13Å; Y825-T829 PolarHBondContact O-OG1 3.35Å
826	L	59.5	Low	64.7	Low	101 Å²	101	95.1 Å²	95.1	53%	0.529	47%	0.474	S	S	.	.	H	α-helix	trans	-62.7	-39.3	176.2	-71	172.9	0	0	0	111	N822 H823 T828 T829 Q831	N822-L826 WeakPolarHBondContact O-CG 3.38Å; N822-L826 PolarHBondContact O-N 3.36Å; H823-L826 PolarHBondContact O-N 2.9Å; L826-T828 VanDerWaalsContact C-N 3.33Å; L826-T828 PolarHBondContact O-N 3.4Å; L826-T829 PolarHBondContact O-N 3.05Å; L826-T829 PolarHBondContact O-OG1 3.46Å; L826-Q831 PolarHBondContact O-NE2 3.08Å
827	D	63.6	Low	67.6	Low	100 Å²	100	91 Å²	91	54%	0.535	45%	0.451	S	S	.	.	H	α-helix	trans	-70.6	-24.9	-179.3	-120.1	-3.9	0	0	0	114	H823 H824 Y825 R833	H823-D827 PolarHBondContact O-N 3.45Å; H824-D827 PolarHBondContact O-N 3.08Å; Y825-D827 VanDerWaalsContact C-N 3.28Å; Y825-D827 PolarHBondContact O-N 2.99Å; D827-R833 PolarHBondContact O-NH2 3.31Å; D827-R833 IonicContact OD1-CZ 3.24Å; D827-R833 IonicContact OD1-NH1 3.35Å; D827-R833 PolarHBondContact OD1-NH1 3.45Å; D827-R833 IonicContact OD1-NH2 3.65Å; D827-R833 PolarHBondContact OD1-NH2 3.28Å
828	T	77.5	Confident	70.2	Confident	52 Å²	52	91 Å²	91	32%	0.319	45%	0.449	S	S	.	.	H	α-helix	trans	-86.7	-22.3	173.1	54.9	0	0	0	0	113.8	H824 Y825 L826 G861 Q862	H824-T828 WeakPolarHBondContact O-CG2 3.17Å; H824-T828 PolarHBondContact O-N 3.29Å; H824-T828 VanDerWaalsContact O-N 3.12Å; H824-T828 PolarHBondContact O-OG1 3.34Å; Y825-T828 PolarHBondContact O-N 3.25Å; Y825-T828 PolarHBondContact O-OG1 3.49Å; L826-T828 VanDerWaalsContact C-N 3.33Å; L826-T828 PolarHBondContact O-N 3.4Å; T828-G861 CarbonylContact O-C 3.58Å; T828-G861 VanDerWaalsContact O-CA 3.25Å; T828-G861 WeakPolarHBondContact O-CA 3.09Å; T828-Q862 PolarHBondContact O-N 2.81Å
829	T	87.5	Confident	72.9	Confident	9 Å²	9	86.4 Å²	86.4	6%	0.055	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-75.3	150.3	179.4	52	0	0	0	0	114.8	Y825 L826 Q831 Q862 P864	Y825-T829 HydrophobicContact CD1-CG2 4.22Å; Y825-T829 HydrophobicContact CE1-CG2 3.77Å; Y825-T829 HydrophobicContact CE2-CG2 4.24Å; Y825-T829 WeakPolarHBondContact O-CG2 3.47Å; Y825-T829 PolarHBondContact O-N 3.28Å; Y825-T829 VanDerWaalsContact O-N 3.13Å; Y825-T829 PolarHBondContact O-OG1 3.35Å; L826-T829 PolarHBondContact O-N 3.05Å; L826-T829 PolarHBondContact O-OG1 3.46Å; T829-Q831 PolarHBondContact O-N 3.23Å; T829-Q831 VanDerWaalsContact O-N 3.12Å; T829-Q862 CarbonylContact C-O 3.4Å; T829-P864 HydrophobicContact CG2-CB 4.28Å; T829-P864 HydrophobicContact CG2-CG 3.98Å
830	C	93.3	Very high	75.5	Confident	7 Å²	7	83.2 Å²	83.2	5%	0.047	41%	0.413	C	S	.	.	S	Bend	trans	-56.6	109	179.1	174.6	0	0	0	0	113.2	Q862 Y871 C896	C830-Q862 PolarHBondContact N-O 3.3Å; C830-Y871 HydrophobicContact CB-CD1 4.22Å; C830-Y871 HydrophobicContact CB-CE1 4.15Å; C830-Y871 WeakPolarHBondContact O-CE1 3.07Å; C830-C896 WeakPolarHBondContact CA-SG 3.27Å; C830-C896 HydrophobicContact CB-CB 3.63Å; C830-C896 WeakPolarHBondContact CB-SG 3.41Å; C830-C896 VanDerWaalsContact SG-CA 3.51Å; C830-C896 WeakPolarHBondContact SG-CB 3.35Å; C830-C896 CovalentContact SG-SG 2.03Å; C830-C896 PolarHBondContact SG-SG 3.43Å
831	Q	91.6	Very high	78.1	Confident	70 Å²	70	81.8 Å²	81.8	33%	0.327	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	169.5	176.5	63.7	173	-43.8	0	0	113.2	L826 T829 L860	L826-Q831 PolarHBondContact O-NE2 3.08Å; T829-Q831 PolarHBondContact O-N 3.23Å; T829-Q831 VanDerWaalsContact O-N 3.12Å; Q831-L860 PolarHBondContact N-O 3.22Å; Q831-L860 PolarHBondContact O-N 3.09Å; Q831-L860 VanDerWaalsContact O-N 3.07Å
832	R	94	Very high	80.7	Confident	93 Å²	93	80.2 Å²	80.2	35%	0.351	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.5	179.5	-174.8	177.2	52.1	56.7	-14.7	111.1	R857 Y858 V925 E926 C928	R832-R857 HydrophobicContact CG-CB 4.04Å; R832-Y858 CarbonylContact C-O 3.53Å; R832-Y858 WeakPolarHBondContact CA-O 3.29Å; R832-V925 WeakPolarHBondContact CD-O 3.45Å; R832-V925 HydrophobicContact CG-CG1 4.24Å; R832-E926 WeakPolarHBondContact CD-O 3.44Å; R832-E926 PolarHBondContact NE-O 3.48Å; R832-C928 VanDerWaalsContact CA-SG 3.55Å
833	R	93.7	Very high	83	Confident	52 Å²	52	79.4 Å²	79.4	20%	0.196	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	163.9	177	-55.2	-48.8	-169.9	142	7.9	111.3	D827 R857 Y858 L860	D827-R833 PolarHBondContact O-NH2 3.31Å; D827-R833 IonicContact OD1-CZ 3.24Å; D827-R833 IonicContact OD1-NH1 3.35Å; D827-R833 PolarHBondContact OD1-NH1 3.45Å; D827-R833 IonicContact OD1-NH2 3.65Å; D827-R833 PolarHBondContact OD1-NH2 3.28Å; R833-R857 VanDerWaalsContact O-CA 3.28Å; R833-R857 WeakPolarHBondContact O-CA 3.46Å; R833-R857 WeakPolarHBondContact O-CB 3.27Å; R833-Y858 HydrophobicContact CB-CD1 3.63Å; R833-Y858 HydrophobicContact CB-CE1 3.32Å; R833-Y858 HydrophobicContact CB-CE2 4.4Å; R833-Y858 HydrophobicContact CB-CG 4.32Å; R833-Y858 HydrophobicContact CG-CE1 4.28Å; R833-Y858 PolarHBondContact N-O 2.94Å; R833-Y858 PolarHBondContact O-N 3.25Å; R833-L860 HydrophobicContact CG-CB 3.72Å; R833-L860 HydrophobicContact CG-CD2 4.48Å
834	E	94.4	Very high	85.4	Confident	133 Å²	133	76.4 Å²	76.4	62%	0.621	40%	0.4	S	S	*	.			trans	-86.1	139.6	179.3	-54.2	-141.5	106.2	0	0	111.5	N855 Y858	E834-N855 PolarHBondContact OE1-ND2 3.47Å; E834-Y858 VanDerWaalsContact O-CE1 3.29Å; E834-Y858 WeakPolarHBondContact O-CE1 3.34Å
835	L	95.3	Very high	87.2	Confident	75 Å²	75	72.1 Å²	72.1	39%	0.393	39%	0.388	S	S	.	.			trans	-146.1	103.7	176.2	171.9	63.1	0	0	0	107.3	I837 N855 A856 R857 Y858	L835-I837 HydrophobicContact CD2-CD1 4.39Å; L835-I837 HydrophobicContact CD2-CG1 4.35Å; L835-I837 HydrophobicContact CG-CG1 4.05Å; L835-N855 PolarHBondContact N-OD1 2.91Å; L835-N855 VanDerWaalsContact N-OD1 3.1Å; L835-N855 CarbonylContact O-C 3.54Å; L835-N855 WeakPolarHBondContact O-CA 3.49Å; L835-N855 PolarHBondContact O-OD1 3.46Å; L835-A856 PolarHBondContact O-N 2.83Å; L835-R857 PolarHBondContact O-N 3.2Å; L835-Y858 HydrophobicContact CB-CD1 3.71Å; L835-Y858 HydrophobicContact CB-CE1 4.38Å; L835-Y858 HydrophobicContact CB-CG 4.49Å
836	I	95.5	Very high	89	Confident	119 Å²	119	70.2 Å²	70.2	61%	0.61	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	109.3	176.2	-58.5	176.8	0	0	0	107.8	A853 Y854 N855	I836-A853 HydrophobicContact CG2-CB 3.98Å; I836-Y854 CarbonylContact C-O 3.6Å; I836-Y854 WeakPolarHBondContact CA-O 3.08Å; I836-N855 HydrophobicContact CG1-CB 4.3Å
837	I	94.7	Very high	90.5	Very high	44 Å²	44	69.6 Å²	69.6	23%	0.226	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112.6	174	-59.6	-174.6	0	0	0	107.5	L835 V842 A853 Y854 A856	L835-I837 HydrophobicContact CD2-CD1 4.39Å; L835-I837 HydrophobicContact CD2-CG1 4.35Å; L835-I837 HydrophobicContact CG-CG1 4.05Å; I837-V842 HydrophobicContact CG2-CG2 3.79Å; I837-A853 CarbonylContact O-C 3.49Å; I837-A853 WeakPolarHBondContact O-CA 3.17Å; I837-A853 WeakPolarHBondContact O-CB 3.4Å; I837-Y854 HydrophobicContact CB-CD1 4.12Å; I837-Y854 HydrophobicContact CB-CE1 3.72Å; I837-Y854 HydrophobicContact CD1-CE1 4.28Å; I837-Y854 HydrophobicContact CG1-CE1 4.43Å; I837-Y854 HydrophobicContact CG2-CE1 4.03Å; I837-Y854 PolarHBondContact N-O 3.27Å; I837-Y854 PolarHBondContact O-N 2.76Å; I837-A856 HydrophobicContact CD1-CB 3.52Å; I837-A856 HydrophobicContact CG1-CB 3.83Å
838	N	94.6	Very high	91.9	Very high	66 Å²	66	65.3 Å²	65.3	35%	0.353	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.1	166.7	178	3.3	0	0	0	108.8	D840 A841 V842 Q852 A853	N838-D840 PolarHBondContact O-N 3.3Å; N838-D840 VanDerWaalsContact OD1-CB 3.28Å; N838-D840 WeakPolarHBondContact OD1-CB 3.29Å; N838-D840 PolarHBondContact OD1-N 3.44Å; N838-A841 HydrophobicContact CB-CB 4.22Å; N838-A841 PolarHBondContact O-N 3.13Å; N838-V842 WeakPolarHBondContact O-CG2 3.44Å; N838-V842 PolarHBondContact O-N 2.92Å; N838-Q852 PolarHBondContact OD1-O 3.39Å; N838-A853 HydrophobicContact CB-CB 4.11Å
839	F	94.5	Very high	92.7	Very high	3 Å²	3	65.8 Å²	65.8	1%	0.013	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.7	-178.7	-69.8	-67.9	0	0	0	113	V842 G843 W844 A845 V848 P851 Q852 Y854 L906	F839-V842 PolarHBondContact O-N 2.66Å; F839-G843 PolarHBondContact O-N 2.89Å; F839-W844 HydrophobicContact CB-CB 4.14Å; F839-W844 HydrophobicContact CD1-CB 4.17Å; F839-W844 HydrophobicContact CD1-CD2 4.36Å; F839-W844 AromaticContact CD1-CE3 3.62Å; F839-W844 HydrophobicContact CD1-CE3 3.62Å; F839-W844 HydrophobicContact CD1-CZ3 4.4Å; F839-W844 AromaticContact CE1-CE3 3.72Å; F839-W844 HydrophobicContact CE1-CE3 3.72Å; F839-W844 HydrophobicContact CE1-CZ3 4.06Å; F839-W844 WeakPolarHBondContact O-CA 3.38Å; F839-W844 PolarHBondContact O-N 3.28Å; F839-A845 PolarHBondContact O-N 3.37Å; F839-V848 HydrophobicContact CB-CB 4.36Å; F839-V848 HydrophobicContact CB-CG1 4.45Å; F839-V848 HydrophobicContact CD1-CG2 4.29Å; F839-V848 HydrophobicContact CD2-CG1 3.8Å; F839-V848 HydrophobicContact CE2-CG1 4.1Å; F839-V848 HydrophobicContact CG-CB 4.27Å; F839-V848 HydrophobicContact CG-CG1 4.01Å; F839-V848 HydrophobicContact CG-CG2 4.44Å; F839-P851 VanDerWaalsContact CD2-O 3.23Å; F839-P851 WeakPolarHBondContact CD2-O 3.42Å; F839-P851 HydrophobicContact CE2-CG 4.47Å; F839-Q852 PolarHBondContact N-O 3.17Å; F839-Y854 HydrophobicContact CE1-CD1 4.37Å; F839-Y854 AromaticContact CE1-CE1 3.9Å; F839-Y854 HydrophobicContact CE1-CE1 3.9Å; F839-Y854 AromaticContact CE2-CD1 3.59Å; F839-Y854 HydrophobicContact CE2-CD1 3.59Å; F839-Y854 AromaticContact CE2-CE1 3.96Å; F839-Y854 HydrophobicContact CE2-CE1 3.96Å; F839-Y854 AromaticContact CZ-CD1 3.47Å; F839-Y854 HydrophobicContact CZ-CD1 3.47Å; F839-Y854 VanDerWaalsContact CZ-CD1 3.47Å; F839-Y854 AromaticContact CZ-CE1 3.33Å; F839-Y854 HydrophobicContact CZ-CE1 3.33Å; F839-L906 HydrophobicContact CE2-CD2 3.85Å; F839-L906 HydrophobicContact CZ-CD1 4.49Å; F839-L906 HydrophobicContact CZ-CD2 3.62Å
840	D	93	Very high	93.1	Very high	109 Å²	109	67.1 Å²	67.1	58%	0.583	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-49.2	173.4	-162.1	27.8	0	0	0	111	N838 V842 G843 A845	N838-D840 PolarHBondContact O-N 3.3Å; N838-D840 VanDerWaalsContact OD1-CB 3.28Å; N838-D840 WeakPolarHBondContact OD1-CB 3.29Å; N838-D840 PolarHBondContact OD1-N 3.44Å; D840-V842 PolarHBondContact O-N 3.33Å; D840-G843 PolarHBondContact O-N 2.87Å; D840-A845 HydrophobicContact CB-CB 4.01Å; D840-A845 WeakPolarHBondContact OD1-CB 3.49Å
841	A	91.8	Very high	93.2	Very high	86 Å²	86	68.8 Å²	68.8	71%	0.711	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.4	176.8	0	0	0	0	0	114.2	N838	N838-A841 HydrophobicContact CB-CB 4.22Å; N838-A841 PolarHBondContact O-N 3.13Å
842	V	92.1	Very high	93.3	Very high	64 Å²	64	72.1 Å²	72.1	39%	0.388	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.8	173.2	-179	0	0	0	0	111.8	I837 N838 F839 D840 W844	I837-V842 HydrophobicContact CG2-CG2 3.79Å; N838-V842 WeakPolarHBondContact O-CG2 3.44Å; N838-V842 PolarHBondContact O-N 2.92Å; F839-V842 PolarHBondContact O-N 2.66Å; D840-V842 PolarHBondContact O-N 3.33Å; V842-W844 HydrophobicContact CB-CG 4.45Å; V842-W844 HydrophobicContact CG1-CD2 3.92Å; V842-W844 HydrophobicContact CG1-CG 3.96Å; V842-W844 HydrophobicContact CG1-CZ2 4.39Å
843	G	92.3	Very high	93.3	Very high	62 Å²	62	69.7 Å²	69.7	64%	0.639	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	21.8	-176	0	0	0	0	0	113.7	F839 D840	F839-G843 PolarHBondContact O-N 2.89Å; D840-G843 PolarHBondContact O-N 2.87Å
844	W	93.5	Very high	93.4	Very high	106 Å²	106	68.4 Å²	68.4	40%	0.402	41%	0.405	S	S	.	.			trans	-104.1	-8.5	-176.7	-71.3	11.9	0	0	0	113.7	F839 V842 G846 W847 V848	F839-W844 HydrophobicContact CB-CB 4.14Å; F839-W844 HydrophobicContact CD1-CB 4.17Å; F839-W844 HydrophobicContact CD1-CD2 4.36Å; F839-W844 AromaticContact CD1-CE3 3.62Å; F839-W844 HydrophobicContact CD1-CE3 3.62Å; F839-W844 HydrophobicContact CD1-CZ3 4.4Å; F839-W844 AromaticContact CE1-CE3 3.72Å; F839-W844 HydrophobicContact CE1-CE3 3.72Å; F839-W844 HydrophobicContact CE1-CZ3 4.06Å; F839-W844 WeakPolarHBondContact O-CA 3.38Å; F839-W844 PolarHBondContact O-N 3.28Å; V842-W844 HydrophobicContact CB-CG 4.45Å; V842-W844 HydrophobicContact CG1-CD2 3.92Å; V842-W844 HydrophobicContact CG1-CG 3.96Å; V842-W844 HydrophobicContact CG1-CZ2 4.39Å; W844-G846 PolarHBondContact O-N 3Å; W844-G846 VanDerWaalsContact O-N 3.08Å; W844-W847 HydrophobicContact CB-CZ2 4.22Å; W844-W847 AromaticContact CD1-NE1 3.69Å; W844-W847 HydrophobicContact CD2-CH2 4.4Å; W844-W847 AromaticContact CD2-CZ2 3.44Å; W844-W847 HydrophobicContact CD2-CZ2 3.44Å; W844-W847 VanDerWaalsContact CD2-CZ2 3.44Å; W844-W847 AromaticContact CE2-CZ2 4Å; W844-W847 AromaticContact CE3-CH2 3.93Å; W844-W847 HydrophobicContact CE3-CH2 3.93Å; W844-W847 AromaticContact CE3-CZ2 3.4Å; W844-W847 HydrophobicContact CE3-CZ2 3.4Å; W844-W847 VanDerWaalsContact CE3-CZ2 3.4Å; W844-W847 AromaticContact CG-CE2 3.84Å; W844-W847 AromaticContact CG-CZ2 3.8Å; W844-W847 HydrophobicContact CG-CZ2 3.8Å; W844-W847 AromaticContact CG-NE1 3.47Å; W844-W847 HydrophobicContact CH2-CZ2 4.49Å; W844-W847 HydrophobicContact CZ3-CH2 4.2Å; W844-W847 AromaticContact CZ3-CZ2 3.97Å; W844-W847 HydrophobicContact CZ3-CZ2 3.97Å; W844-W847 PolarHBondContact O-N 3.48Å; W844-V848 HydrophobicContact CB-CG2 4.15Å; W844-V848 HydrophobicContact CE3-CG2 4.42Å; W844-V848 PolarHBondContact O-N 3.49Å
845	A	88.8	Confident	93.5	Very high	46 Å²	46	64 Å²	64	38%	0.38	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.7	177	0	0	0	0	0	114.5	F839 D840 W847	F839-A845 PolarHBondContact O-N 3.37Å; D840-A845 HydrophobicContact CB-CB 4.01Å; D840-A845 WeakPolarHBondContact OD1-CB 3.49Å; A845-W847 PolarHBondContact O-N 2.73Å
846	G	87.2	Confident	93.5	Very high	77 Å²	77	60.7 Å²	60.7	79%	0.794	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.8	171.4	0	0	0	0	0	114.8	W844	W844-G846 PolarHBondContact O-N 3Å; W844-G846 VanDerWaalsContact O-N 3.08Å
847	W	92.2	Very high	93.6	Very high	89 Å²	89	58 Å²	58	34%	0.337	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-30.9	177.3	65.8	-87	0	0	0	114.1	W844 A845 Y908 H909	W844-W847 HydrophobicContact CB-CZ2 4.22Å; W844-W847 AromaticContact CD1-NE1 3.69Å; W844-W847 HydrophobicContact CD2-CH2 4.4Å; W844-W847 AromaticContact CD2-CZ2 3.44Å; W844-W847 HydrophobicContact CD2-CZ2 3.44Å; W844-W847 VanDerWaalsContact CD2-CZ2 3.44Å; W844-W847 AromaticContact CE2-CZ2 4Å; W844-W847 AromaticContact CE3-CH2 3.93Å; W844-W847 HydrophobicContact CE3-CH2 3.93Å; W844-W847 AromaticContact CE3-CZ2 3.4Å; W844-W847 HydrophobicContact CE3-CZ2 3.4Å; W844-W847 VanDerWaalsContact CE3-CZ2 3.4Å; W844-W847 AromaticContact CG-CE2 3.84Å; W844-W847 AromaticContact CG-CZ2 3.8Å; W844-W847 HydrophobicContact CG-CZ2 3.8Å; W844-W847 AromaticContact CG-NE1 3.47Å; W844-W847 HydrophobicContact CH2-CZ2 4.49Å; W844-W847 HydrophobicContact CZ3-CH2 4.2Å; W844-W847 AromaticContact CZ3-CZ2 3.97Å; W844-W847 HydrophobicContact CZ3-CZ2 3.97Å; W844-W847 PolarHBondContact O-N 3.48Å; A845-W847 PolarHBondContact O-N 2.73Å; W847-Y908 AromaticContact CE3-CD2 3.95Å; W847-Y908 HydrophobicContact CE3-CD2 3.95Å; W847-Y908 HydrophobicContact CE3-CG 4.25Å; W847-Y908 HydrophobicContact CZ3-CD2 4.1Å; W847-Y908 HydrophobicContact CZ3-CG 4.25Å; W847-Y908 CarbonylContact O-C 3.55Å; W847-Y908 WeakPolarHBondContact O-CA 3.27Å; W847-Y908 WeakPolarHBondContact O-CB 3.17Å; W847-H909 PolarHBondContact O-N 3.31Å
848	V	93.1	Very high	93.7	Very high	9 Å²	9	60.2 Å²	60.2	6%	0.055	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.4	171.1	-177.1	0	0	0	0	109.9	F839 W844	F839-V848 HydrophobicContact CB-CB 4.36Å; F839-V848 HydrophobicContact CB-CG1 4.45Å; F839-V848 HydrophobicContact CD1-CG2 4.29Å; F839-V848 HydrophobicContact CD2-CG1 3.8Å; F839-V848 HydrophobicContact CE2-CG1 4.1Å; F839-V848 HydrophobicContact CG-CB 4.27Å; F839-V848 HydrophobicContact CG-CG1 4.01Å; F839-V848 HydrophobicContact CG-CG2 4.44Å; W844-V848 HydrophobicContact CB-CG2 4.15Å; W844-V848 HydrophobicContact CE3-CG2 4.42Å; W844-V848 PolarHBondContact O-N 3.49Å
849	I	94.1	Very high	93.7	Very high	62 Å²	62	57.9 Å²	57.9	32%	0.318	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-43.8	-177.6	-53.8	163.5	0	0	0	110.8	L907 V915	I849-L907 WeakPolarHBondContact CA-O 3.25Å; I849-L907 HydrophobicContact CB-CD2 4.22Å; I849-L907 HydrophobicContact CB-CG 4.31Å; I849-L907 WeakPolarHBondContact CB-O 3.27Å; I849-L907 HydrophobicContact CD1-CG 4.32Å; I849-L907 HydrophobicContact CG2-CD2 4.05Å; I849-L907 PolarHBondContact N-O 3.41Å; I849-V915 HydrophobicContact CD1-CB 4.42Å; I849-V915 HydrophobicContact CD1-CG1 3.83Å; I849-V915 HydrophobicContact CD1-CG2 3.92Å
850	A	95.2	Very high	93.7	Very high	37 Å²	37	61.9 Å²	61.9	31%	0.306	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	150.6	-179.5	0	0	0	0	0	112.9	L907	A850-L907 HydrophobicContact CB-CB 4.07Å; A850-L907 HydrophobicContact CB-CD2 4.32Å; A850-L907 PolarHBondContact N-O 3Å; A850-L907 VanDerWaalsContact N-O 3.14Å; A850-L907 PolarHBondContact O-N 3.36Å
851	P	95.9	Very high	93.6	Very high	42 Å²	42	57.9 Å²	57.9	27%	0.273	35%	0.351	S	S	.	.			cis	-66.9	160.6	-11.3	32.8	-36.7	0	0	0	110.9	F839 S905	F839-P851 VanDerWaalsContact CD2-O 3.23Å; F839-P851 WeakPolarHBondContact CD2-O 3.42Å; F839-P851 HydrophobicContact CE2-CG 4.47Å; P851-S905 WeakPolarHBondContact CD-O 3.29Å
852	Q	93.6	Very high	93.5	Very high	141 Å²	141	60.7 Å²	60.7	66%	0.659	35%	0.35	S	S	*	.	S	Bend	trans	-70.9	-35.2	176.8	-64.1	-176.1	-64	0	0	111.8	N838 F839	N838-Q852 PolarHBondContact OD1-O 3.39Å; F839-Q852 PolarHBondContact N-O 3.17Å
853	A	94.8	Very high	93.4	Very high	42 Å²	42	58.3 Å²	58.3	35%	0.347	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.6	173	0	0	0	0	0	110.7	I836 I837 N838	I836-A853 HydrophobicContact CG2-CB 3.98Å; I837-A853 CarbonylContact O-C 3.49Å; I837-A853 WeakPolarHBondContact O-CA 3.17Å; I837-A853 WeakPolarHBondContact O-CB 3.4Å; N838-A853 HydrophobicContact CB-CB 4.11Å
854	Y	95.5	Very high	93	Very high	25 Å²	25	56.3 Å²	56.3	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.5	175	78.9	-67.5	0	0	0	111.2	I836 I837 F839 A856 Q904 M923 V924	I836-Y854 CarbonylContact C-O 3.6Å; I836-Y854 WeakPolarHBondContact CA-O 3.08Å; I837-Y854 HydrophobicContact CB-CD1 4.12Å; I837-Y854 HydrophobicContact CB-CE1 3.72Å; I837-Y854 HydrophobicContact CD1-CE1 4.28Å; I837-Y854 HydrophobicContact CG1-CE1 4.43Å; I837-Y854 HydrophobicContact CG2-CE1 4.03Å; I837-Y854 PolarHBondContact N-O 3.27Å; I837-Y854 PolarHBondContact O-N 2.76Å; F839-Y854 HydrophobicContact CE1-CD1 4.37Å; F839-Y854 AromaticContact CE1-CE1 3.9Å; F839-Y854 HydrophobicContact CE1-CE1 3.9Å; F839-Y854 AromaticContact CE2-CD1 3.59Å; F839-Y854 HydrophobicContact CE2-CD1 3.59Å; F839-Y854 AromaticContact CE2-CE1 3.96Å; F839-Y854 HydrophobicContact CE2-CE1 3.96Å; F839-Y854 AromaticContact CZ-CD1 3.47Å; F839-Y854 HydrophobicContact CZ-CD1 3.47Å; F839-Y854 VanDerWaalsContact CZ-CD1 3.47Å; F839-Y854 AromaticContact CZ-CE1 3.33Å; F839-Y854 HydrophobicContact CZ-CE1 3.33Å; Y854-A856 HydrophobicContact CD2-CB 4.29Å; Y854-A856 HydrophobicContact CE2-CB 3.6Å; Y854-A856 PolarHBondContact O-N 3.47Å; Y854-A856 VanDerWaalsContact O-N 3.14Å; Y854-Q904 HydrophobicContact CD2-CB 4.27Å; Y854-Q904 HydrophobicContact CD2-CG 3.85Å; Y854-Q904 HydrophobicContact CE2-CB 4.38Å; Y854-Q904 HydrophobicContact CE2-CG 4.32Å; Y854-Q904 HydrophobicContact CG-CG 4.18Å; Y854-M923 HydrophobicContact CE1-CE 4.3Å; Y854-M923 HydrophobicContact CE2-CB 4.2Å; Y854-M923 HydrophobicContact CE2-CE 4.22Å; Y854-M923 WeakPolarHBondContact CE2-O 3.37Å; Y854-M923 WeakPolarHBondContact OH-CE 3.43Å; Y854-V924 HydrophobicContact CD2-CG2 3.73Å; Y854-V924 HydrophobicContact CE2-CG2 3.79Å
855	N	96	Very high	92.2	Very high	41 Å²	41	56.5 Å²	56.5	22%	0.219	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	84	177.9	-170.2	1.8	0	0	0	109.3	E834 L835 I836 R857	E834-N855 PolarHBondContact OE1-ND2 3.47Å; L835-N855 PolarHBondContact N-OD1 2.91Å; L835-N855 VanDerWaalsContact N-OD1 3.1Å; L835-N855 CarbonylContact O-C 3.54Å; L835-N855 WeakPolarHBondContact O-CA 3.49Å; L835-N855 PolarHBondContact O-OD1 3.46Å; I836-N855 HydrophobicContact CG1-CB 4.3Å; N855-R857 PolarHBondContact O-N 2.92Å; N855-R857 WeakPolarHBondContact OD1-CG 3.15Å; N855-R857 PolarHBondContact OD1-N 3.34Å
856	A	95.8	Very high	91.8	Very high	5 Å²	5	58.4 Å²	58.4	4%	0.041	32%	0.324	C	S	.	.			trans	-59.6	-32.4	175.1	0	0	0	0	0	112.1	L835 I837 Y854 V924 V925	L835-A856 PolarHBondContact O-N 2.83Å; I837-A856 HydrophobicContact CD1-CB 3.52Å; I837-A856 HydrophobicContact CG1-CB 3.83Å; Y854-A856 HydrophobicContact CD2-CB 4.29Å; Y854-A856 HydrophobicContact CE2-CB 3.6Å; Y854-A856 PolarHBondContact O-N 3.47Å; Y854-A856 VanDerWaalsContact O-N 3.14Å; A856-V924 CarbonylContact O-C 3.46Å; A856-V924 WeakPolarHBondContact O-CA 3.31Å; A856-V925 PolarHBondContact O-N 3.3Å
857	R	97.1	Very high	91.4	Very high	61 Å²	61	55.9 Å²	55.9	23%	0.23	29%	0.292	C	S	.	.			trans	61.9	168.5	-174	-56.2	173.2	-162.2	129	2	112.1	R832 R833 L835 N855 V924 V925 E926	R832-R857 HydrophobicContact CG-CB 4.04Å; R833-R857 VanDerWaalsContact O-CA 3.28Å; R833-R857 WeakPolarHBondContact O-CA 3.46Å; R833-R857 WeakPolarHBondContact O-CB 3.27Å; L835-R857 PolarHBondContact O-N 3.2Å; N855-R857 PolarHBondContact O-N 2.92Å; N855-R857 WeakPolarHBondContact OD1-CG 3.15Å; N855-R857 PolarHBondContact OD1-N 3.34Å; R857-V924 VanDerWaalsContact NH1-CG1 3.26Å; R857-V925 HydrophobicContact CB-CB 4.12Å; R857-V925 WeakPolarHBondContact CD-O 3.1Å; R857-V925 PolarHBondContact NH1-O 3.19Å; R857-E926 IonicContact NH1-OE1 2.72Å; R857-E926 PolarHBondContact NH1-OE1 3.07Å; R857-E926 IonicContact NH1-OE2 2.62Å
858	Y	96.1	Very high	90.6	Very high	92 Å²	92	53.7 Å²	53.7	36%	0.361	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	173	176.4	73.9	-69.1	0	0	0	111.4	R832 R833 E834 L835 L860	R832-Y858 CarbonylContact C-O 3.53Å; R832-Y858 WeakPolarHBondContact CA-O 3.29Å; R833-Y858 HydrophobicContact CB-CD1 3.63Å; R833-Y858 HydrophobicContact CB-CE1 3.32Å; R833-Y858 HydrophobicContact CB-CE2 4.4Å; R833-Y858 HydrophobicContact CB-CG 4.32Å; R833-Y858 HydrophobicContact CG-CE1 4.28Å; R833-Y858 PolarHBondContact N-O 2.94Å; R833-Y858 PolarHBondContact O-N 3.25Å; E834-Y858 VanDerWaalsContact O-CE1 3.29Å; E834-Y858 WeakPolarHBondContact O-CE1 3.34Å; L835-Y858 HydrophobicContact CB-CD1 3.71Å; L835-Y858 HydrophobicContact CB-CE1 4.38Å; L835-Y858 HydrophobicContact CB-CG 4.49Å; Y858-L860 HydrophobicContact CD2-CB 4.18Å; Y858-L860 HydrophobicContact CE2-CB 3.69Å; Y858-L860 HydrophobicContact CE2-CD1 4.37Å; Y858-L860 HydrophobicContact CE2-CD2 3.99Å; Y858-L860 HydrophobicContact CE2-CG 4.22Å
859	C	95.6	Very high	89.8	Confident	17 Å²	17	59 Å²	59	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.2	175.2	-64.4	0	0	0	0	109.7	V897 P898 C928	C859-V897 PolarHBondContact SG-O 2.79Å; C859-P898 VanDerWaalsContact SG-CA 3.58Å; C859-P898 VanDerWaalsContact SG-N 3.37Å; C859-C928 WeakPolarHBondContact CA-SG 3.41Å; C859-C928 HydrophobicContact CB-CB 3.83Å; C859-C928 WeakPolarHBondContact CB-SG 3.45Å; C859-C928 VanDerWaalsContact SG-CA 3.55Å; C859-C928 WeakPolarHBondContact SG-CB 3.49Å; C859-C928 CovalentContact SG-SG 2.03Å; C859-C928 PolarHBondContact SG-SG 2.83Å
860	L	93.9	Very high	89	Confident	86 Å²	86	63.5 Å²	63.5	45%	0.45	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	143.9	178.3	-173.9	65.9	0	0	0	110.5	Q831 R833 Y858	Q831-L860 PolarHBondContact N-O 3.22Å; Q831-L860 PolarHBondContact O-N 3.09Å; Q831-L860 VanDerWaalsContact O-N 3.07Å; R833-L860 HydrophobicContact CG-CB 3.72Å; R833-L860 HydrophobicContact CG-CD2 4.48Å; Y858-L860 HydrophobicContact CD2-CB 4.18Å; Y858-L860 HydrophobicContact CE2-CB 3.69Å; Y858-L860 HydrophobicContact CE2-CD1 4.37Å; Y858-L860 HydrophobicContact CE2-CD2 3.99Å; Y858-L860 HydrophobicContact CE2-CG 4.22Å
861	G	91.4	Very high	88.5	Confident	25 Å²	25	63.6 Å²	63.6	26%	0.258	34%	0.335	S	S	.	.	S	Bend	trans	130.3	164.1	174.3	0	0	0	0	0	111.8	T828 C896	T828-G861 CarbonylContact O-C 3.58Å; T828-G861 VanDerWaalsContact O-CA 3.25Å; T828-G861 WeakPolarHBondContact O-CA 3.09Å; G861-C896 VanDerWaalsContact O-CB 3.22Å; G861-C896 WeakPolarHBondContact O-CB 3.39Å
862	Q	89	Confident	88	Confident	146 Å²	146	64.7 Å²	64.7	68%	0.682	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-75.7	149.7	173.4	-64.6	177.2	-13.1	0	0	110.3	T828 T829 C830 P864	T828-Q862 PolarHBondContact O-N 2.81Å; T829-Q862 CarbonylContact C-O 3.4Å; C830-Q862 PolarHBondContact N-O 3.3Å; Q862-P864 WeakPolarHBondContact O-CD 3.31Å
863	C	90.4	Very high	87.6	Confident	13 Å²	13	59.9 Å²	59.9	9%	0.088	32%	0.319	C	S	.	.			trans	-89.1	108.6	175	-76.5	0	0	0	0	109.3	L867 Q881 P894 C930	C863-L867 HydrophobicContact CB-CD2 4.07Å; C863-Q881 PolarHBondContact O-OE1 3.22Å; C863-Q881 VanDerWaalsContact O-OE1 3.14Å; C863-P894 HydrophobicContact CB-CG 4.01Å; C863-P894 PolarHBondContact SG-O 3.26Å; C863-C930 VanDerWaalsContact CA-SG 3.54Å; C863-C930 HydrophobicContact CB-CB 3.82Å; C863-C930 WeakPolarHBondContact CB-SG 3.45Å; C863-C930 WeakPolarHBondContact SG-CB 3.5Å; C863-C930 CovalentContact SG-SG 2.03Å; C863-C930 PolarHBondContact SG-SG 3.06Å
864	P	83.4	Confident	87.3	Confident	20 Å²	20	59.8 Å²	59.8	13%	0.13	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-82.3	148.7	-171.9	33.7	-35.4	0	0	0	111.5	T829 Q862 P866 L867 Y871	T829-P864 HydrophobicContact CG2-CB 4.28Å; T829-P864 HydrophobicContact CG2-CG 3.98Å; Q862-P864 WeakPolarHBondContact O-CD 3.31Å; P864-P866 CarbonylContact O-C 3.55Å; P864-L867 WeakPolarHBondContact O-CD2 3.2Å; P864-L867 PolarHBondContact O-N 2.88Å; P864-Y871 HydrophobicContact CG-CD2 4.45Å; P864-Y871 HydrophobicContact CG-CE2 3.51Å; P864-Y871 WeakPolarHBondContact CG-OH 3.22Å
865	F	77	Confident	87	Confident	111 Å²	111	61 Å²	61	49%	0.487	32%	0.323	S	S	.	.	S	Bend	trans	-100.6	139.6	172.1	-173.8	-96.6	0	0	0	111	Q881 L882 L885	F865-Q881 HydrophobicContact CB-CG 4.28Å; F865-Q881 HydrophobicContact CD2-CG 3.81Å; F865-Q881 HydrophobicContact CG-CG 4.49Å; F865-L882 HydrophobicContact CE2-CD2 3.74Å; F865-L882 HydrophobicContact CE2-CG 4.43Å; F865-L882 HydrophobicContact CZ-CD2 3.96Å; F865-L885 HydrophobicContact CB-CD1 3.6Å; F865-L885 HydrophobicContact CD1-CD1 3.81Å; F865-L885 HydrophobicContact CD2-CD1 3.4Å; F865-L885 HydrophobicContact CE1-CD1 4.31Å; F865-L885 HydrophobicContact CE2-CD1 3.95Å; F865-L885 HydrophobicContact CG-CD1 3.31Å; F865-L885 HydrophobicContact CZ-CD1 4.37Å
866	P	80.6	Confident	86.7	Confident	86 Å²	86	64.1 Å²	64.1	56%	0.558	34%	0.336	S	S	*	.	S	Bend	cis	-69.7	141.9	-5.7	30	-35.4	0	0	0	112.3	P864 S868	P864-P866 CarbonylContact O-C 3.55Å; P866-S868 PolarHBondContact O-N 3.48Å
867	L	79.4	Confident	86.5	Confident	24 Å²	24	63.9 Å²	63.9	13%	0.126	33%	0.334	C	S	.	.			trans	-68.7	88.6	-179.8	-83.4	175.1	0	0	0	111.5	C863 P864 T873 A877 V878 Q881 P894 C930	C863-L867 HydrophobicContact CB-CD2 4.07Å; P864-L867 WeakPolarHBondContact O-CD2 3.2Å; P864-L867 PolarHBondContact O-N 2.88Å; L867-T873 HydrophobicContact CB-CG2 4.11Å; L867-T873 HydrophobicContact CD1-CG2 4.01Å; L867-T873 HydrophobicContact CD2-CG2 3.97Å; L867-T873 HydrophobicContact CG-CG2 4.26Å; L867-A877 HydrophobicContact CD1-CB 4.44Å; L867-V878 HydrophobicContact CB-CG2 4.49Å; L867-V878 HydrophobicContact CD1-CG2 4.22Å; L867-Q881 HydrophobicContact CD1-CB 3.63Å; L867-Q881 HydrophobicContact CD1-CG 3.93Å; L867-Q881 HydrophobicContact CG-CB 4.39Å; L867-Q881 HydrophobicContact CG-CG 4.14Å; L867-P894 HydrophobicContact CD1-CG 4.12Å; L867-C930 HydrophobicContact CD2-CB 3.85Å
868	S	74.7	Confident	86	Confident	43 Å²	43	63.5 Å²	63.5	30%	0.301	34%	0.338	S	S	.	.			trans	-61.9	153.7	-179.5	82.4	0	0	0	0	112.7	P866 H870 Y871	P866-S868 PolarHBondContact O-N 3.48Å; S868-H870 PolarHBondContact O-N 2.79Å; S868-H870 PolarHBondContact OG-CD2 3.47Å; S868-Y871 PolarHBondContact O-N 3.09Å; S868-Y871 WeakPolarHBondContact OG-CD2 3.26Å; S868-Y871 WeakPolarHBondContact OG-CE2 3.5Å
869	T	76.1	Confident	85.6	Confident	121 Å²	121	64.2 Å²	64.2	74%	0.742	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-58.1	-16.7	178.5	52.3	0	0	0	0	114.2	Y871 N872	T869-Y871 PolarHBondContact O-N 2.88Å; T869-N872 PolarHBondContact O-N 3.23Å
870	H	78.5	Confident	85.2	Confident	156 Å²	156	64.7 Å²	64.7	72%	0.722	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.3	173.4	-58.7	-60.5	0	0	0	113.5	S868 N872	S868-H870 PolarHBondContact O-N 2.79Å; S868-H870 PolarHBondContact OG-CD2 3.47Å; H870-N872 VanDerWaalsContact C-N 3.34Å
871	Y	84.5	Confident	84.8	Confident	39 Å²	39	61.1 Å²	61.1	15%	0.153	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-90.1	11.6	179.7	-59.7	-67.6	0	0	0	114	C830 P864 S868 T869 T873 A929 C930	C830-Y871 HydrophobicContact CB-CD1 4.22Å; C830-Y871 HydrophobicContact CB-CE1 4.15Å; C830-Y871 WeakPolarHBondContact O-CE1 3.07Å; P864-Y871 HydrophobicContact CG-CD2 4.45Å; P864-Y871 HydrophobicContact CG-CE2 3.51Å; P864-Y871 WeakPolarHBondContact CG-OH 3.22Å; S868-Y871 PolarHBondContact O-N 3.09Å; S868-Y871 WeakPolarHBondContact OG-CD2 3.26Å; S868-Y871 WeakPolarHBondContact OG-CE2 3.5Å; T869-Y871 PolarHBondContact O-N 2.88Å; Y871-T873 PolarHBondContact O-N 2.89Å; Y871-A929 CarbonylContact O-C 3.59Å; Y871-A929 WeakPolarHBondContact O-CA 3.49Å; Y871-A929 WeakPolarHBondContact O-CB 3.49Å; Y871-C930 PolarHBondContact O-N 2.92Å
872	N	85.6	Confident	84.5	Confident	64 Å²	64	63 Å²	63	34%	0.342	33%	0.333	S	S	.	.			trans	44	44.6	174.8	-61.7	-65.2	0	0	0	114.1	T869 H870 H899 A929 R931	T869-N872 PolarHBondContact O-N 3.23Å; H870-N872 VanDerWaalsContact C-N 3.34Å; N872-H899 WeakPolarHBondContact CB-CD2 3.3Å; N872-H899 VanDerWaalsContact CG-CD2 3.41Å; N872-A929 HydrophobicContact CB-CB 3.98Å; N872-R931 PolarHBondContact O-NE 3.14Å; N872-R931 VanDerWaalsContact O-NE 3.07Å; N872-R931 PolarHBondContact O-NH2 2.89Å
873	T	83.9	Confident	84.3	Confident	40 Å²	40	58.4 Å²	58.4	25%	0.245	32%	0.315	C	S	.	.			trans	-73.9	154.8	-169.6	38	0	0	0	0	113.3	L867 Y871 A877 C930	L867-T873 HydrophobicContact CB-CG2 4.11Å; L867-T873 HydrophobicContact CD1-CG2 4.01Å; L867-T873 HydrophobicContact CD2-CG2 3.97Å; L867-T873 HydrophobicContact CG-CG2 4.26Å; Y871-T873 PolarHBondContact O-N 2.89Å; T873-A877 HydrophobicContact CG2-CB 4.2Å; T873-C930 HydrophobicContact CG2-CB 3.71Å; T873-C930 WeakPolarHBondContact CG2-O 3.25Å
874	T	88.8	Confident	83.9	Confident	41 Å²	41	61.5 Å²	61.5	25%	0.252	33%	0.328	S	S	.	.			trans	-97.8	159.5	169	49.3	0	0	0	0	110.1	H876 A877 V878	T874-H876 PolarHBondContact O-N 3.42Å; T874-A877 WeakPolarHBondContact O-CB 3.36Å; T874-A877 PolarHBondContact O-N 2.85Å; T874-A877 WeakPolarHBondContact OG1-CB 3.42Å; T874-A877 PolarHBondContact OG1-N 3.14Å; T874-V878 PolarHBondContact O-N 3.31Å
875	N	88.7	Confident	83.7	Confident	51 Å²	51	65 Å²	65	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-56.1	-32	167.7	-63	57.5	0	0	0	111.3	V878 L879	N875-V878 PolarHBondContact O-N 2.89Å; N875-L879 WeakPolarHBondContact O-CB 3.44Å; N875-L879 VanDerWaalsContact O-CG 3.28Å; N875-L879 WeakPolarHBondContact O-CG 3.36Å; N875-L879 PolarHBondContact O-N 3.26Å
876	H	90.5	Very high	83.9	Confident	106 Å²	106	65.7 Å²	65.7	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-58	-53.1	169.3	-177.2	-94.9	0	0	0	112	T874 V878 L879 L880 R931	T874-H876 PolarHBondContact O-N 3.42Å; H876-V878 VanDerWaalsContact C-N 3.28Å; H876-V878 PolarHBondContact O-N 2.96Å; H876-L879 PolarHBondContact O-N 3.08Å; H876-L880 WeakPolarHBondContact O-CB 3.39Å; H876-L880 PolarHBondContact O-N 2.95Å; H876-R931 PolarHBondContact ND1-OXT 3.25Å
877	A	90.5	Very high	83.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-58.8	-39.3	178.7	0	0	0	0	0	112.6	L867 T873 T874 Q881 P894 C930	L867-A877 HydrophobicContact CD1-CB 4.44Å; T873-A877 HydrophobicContact CG2-CB 4.2Å; T874-A877 WeakPolarHBondContact O-CB 3.36Å; T874-A877 PolarHBondContact O-N 2.85Å; T874-A877 WeakPolarHBondContact OG1-CB 3.42Å; T874-A877 PolarHBondContact OG1-N 3.14Å; A877-Q881 VanDerWaalsContact O-CB 3.25Å; A877-Q881 WeakPolarHBondContact O-CB 3.12Å; A877-Q881 PolarHBondContact O-N 3.36Å; A877-P894 HydrophobicContact CB-CB 3.88Å; A877-P894 HydrophobicContact CB-CG 4.37Å; A877-C930 WeakPolarHBondContact CB-O 3.43Å
878	V	86.7	Confident	83	Confident	52 Å²	52	67.1 Å²	67.1	32%	0.315	36%	0.359	S	S	.	.	H	α-helix	trans	-67.2	-46.8	177.6	177.8	0	0	0	0	111.4	L867 T874 N875 H876 Q881 L882	L867-V878 HydrophobicContact CB-CG2 4.49Å; L867-V878 HydrophobicContact CD1-CG2 4.22Å; T874-V878 PolarHBondContact O-N 3.31Å; N875-V878 PolarHBondContact O-N 2.89Å; H876-V878 VanDerWaalsContact C-N 3.28Å; H876-V878 PolarHBondContact O-N 2.96Å; V878-Q881 PolarHBondContact O-N 3.17Å; V878-L882 HydrophobicContact CG1-CD1 4.17Å; V878-L882 VanDerWaalsContact O-CG 3.29Å; V878-L882 WeakPolarHBondContact O-CG 3.42Å; V878-L882 PolarHBondContact O-N 3.15Å
879	L	87.5	Confident	82.4	Confident	108 Å²	108	67.2 Å²	67.2	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-64.3	-40.9	175.4	-70.9	169.5	0	0	0	111.9	N875 H876 L882 V883	N875-L879 WeakPolarHBondContact O-CB 3.44Å; N875-L879 VanDerWaalsContact O-CG 3.28Å; N875-L879 WeakPolarHBondContact O-CG 3.36Å; N875-L879 PolarHBondContact O-N 3.26Å; H876-L879 PolarHBondContact O-N 3.08Å; L879-L882 PolarHBondContact O-N 3.08Å; L879-V883 WeakPolarHBondContact O-CB 3.16Å; L879-V883 WeakPolarHBondContact O-CG2 3.4Å; L879-V883 PolarHBondContact O-N 3Å
880	L	87.8	Confident	82.2	Confident	27 Å²	27	67.9 Å²	67.9	14%	0.141	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-42.6	176.8	-177.2	61.4	0	0	0	111.4	H876 V883 H884 I891 S892 P894	H876-L880 WeakPolarHBondContact O-CB 3.39Å; H876-L880 PolarHBondContact O-N 2.95Å; L880-V883 PolarHBondContact O-N 3.3Å; L880-H884 WeakPolarHBondContact O-CB 3.22Å; L880-H884 PolarHBondContact O-N 3.12Å; L880-I891 HydrophobicContact CD1-CB 4.16Å; L880-I891 HydrophobicContact CD1-CG2 3.57Å; L880-S892 WeakPolarHBondContact CD1-O 3.46Å; L880-P894 HydrophobicContact CD2-CB 4.19Å
881	Q	85.8	Confident	82.1	Confident	11 Å²	11	64 Å²	64	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-41.2	174.2	-172.3	72.5	57.4	0	0	111.6	C863 F865 L867 A877 V878 H884 L885 P894	C863-Q881 PolarHBondContact O-OE1 3.22Å; C863-Q881 VanDerWaalsContact O-OE1 3.14Å; F865-Q881 HydrophobicContact CB-CG 4.28Å; F865-Q881 HydrophobicContact CD2-CG 3.81Å; F865-Q881 HydrophobicContact CG-CG 4.49Å; L867-Q881 HydrophobicContact CD1-CB 3.63Å; L867-Q881 HydrophobicContact CD1-CG 3.93Å; L867-Q881 HydrophobicContact CG-CB 4.39Å; L867-Q881 HydrophobicContact CG-CG 4.14Å; A877-Q881 VanDerWaalsContact O-CB 3.25Å; A877-Q881 WeakPolarHBondContact O-CB 3.12Å; A877-Q881 PolarHBondContact O-N 3.36Å; V878-Q881 PolarHBondContact O-N 3.17Å; Q881-H884 PolarHBondContact O-N 3.28Å; Q881-L885 HydrophobicContact CG-CD1 3.93Å; Q881-L885 WeakPolarHBondContact O-CB 3.07Å; Q881-L885 WeakPolarHBondContact O-CD1 3.44Å; Q881-L885 WeakPolarHBondContact O-CG 3.4Å; Q881-L885 PolarHBondContact O-N 2.95Å; Q881-P894 HydrophobicContact CB-CG 4Å; Q881-P894 VanDerWaalsContact OE1-CD 3.28Å; Q881-P894 VanDerWaalsContact OE1-CG 3.25Å
882	L	84.8	Confident	82.1	Confident	64 Å²	64	65.9 Å²	65.9	34%	0.335	35%	0.354	S	S	.	.	H	α-helix	trans	-65.1	-48.3	176.4	-71.9	166	0	0	0	111.4	F865 V878 L879 H884 L885 L886	F865-L882 HydrophobicContact CE2-CD2 3.74Å; F865-L882 HydrophobicContact CE2-CG 4.43Å; F865-L882 HydrophobicContact CZ-CD2 3.96Å; V878-L882 HydrophobicContact CG1-CD1 4.17Å; V878-L882 VanDerWaalsContact O-CG 3.29Å; V878-L882 WeakPolarHBondContact O-CG 3.42Å; V878-L882 PolarHBondContact O-N 3.15Å; L879-L882 PolarHBondContact O-N 3.08Å; L882-H884 VanDerWaalsContact C-N 3.28Å; L882-H884 PolarHBondContact O-N 3.33Å; L882-L885 PolarHBondContact O-N 2.91Å; L882-L886 WeakPolarHBondContact O-CB 3.36Å; L882-L886 WeakPolarHBondContact O-CD1 3.29Å; L882-L886 VanDerWaalsContact O-CG 3.22Å; L882-L886 WeakPolarHBondContact O-CG 3.47Å; L882-L886 PolarHBondContact O-N 3.18Å
883	V	84.5	Confident	82.1	Confident	49 Å²	49	63.5 Å²	63.5	30%	0.297	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-35.6	176.9	170.7	0	0	0	0	111.9	L879 L880 D887 V888 A889 I891	L879-V883 WeakPolarHBondContact O-CB 3.16Å; L879-V883 WeakPolarHBondContact O-CG2 3.4Å; L879-V883 PolarHBondContact O-N 3Å; L880-V883 PolarHBondContact O-N 3.3Å; V883-D887 PolarHBondContact O-N 3.01Å; V883-V888 PolarHBondContact O-N 3.42Å; V883-A889 HydrophobicContact CG1-CB 4.13Å; V883-I891 HydrophobicContact CG1-CD1 3.94Å; V883-I891 HydrophobicContact CG1-CG1 4.29Å
884	H	82.4	Confident	82.4	Confident	79 Å²	79	62 Å²	62	37%	0.366	34%	0.335	S	S	.	.	H	α-helix	trans	-67.5	-46.8	174.6	177.9	61.4	0	0	0	112.5	L880 Q881 L882 L886 D887 I891 G893	L880-H884 WeakPolarHBondContact O-CB 3.22Å; L880-H884 PolarHBondContact O-N 3.12Å; Q881-H884 PolarHBondContact O-N 3.28Å; L882-H884 VanDerWaalsContact C-N 3.28Å; L882-H884 PolarHBondContact O-N 3.33Å; H884-L886 VanDerWaalsContact C-N 3.31Å; H884-L886 PolarHBondContact O-N 3.42Å; H884-D887 PolarHBondContact O-N 3.02Å; H884-I891 PolarHBondContact ND1-O 3.03Å; H884-G893 PolarHBondContact ND1-N 2.75Å
885	L	80.4	Confident	82.7	Confident	92 Å²	92	63.5 Å²	63.5	48%	0.482	35%	0.347	S	S	.	.	H	α-helix	trans	-68.2	-29.3	179.4	-72.4	165.6	0	0	0	113.5	F865 Q881 L882 D887	F865-L885 HydrophobicContact CB-CD1 3.6Å; F865-L885 HydrophobicContact CD1-CD1 3.81Å; F865-L885 HydrophobicContact CD2-CD1 3.4Å; F865-L885 HydrophobicContact CE1-CD1 4.31Å; F865-L885 HydrophobicContact CE2-CD1 3.95Å; F865-L885 HydrophobicContact CG-CD1 3.31Å; F865-L885 HydrophobicContact CZ-CD1 4.37Å; Q881-L885 HydrophobicContact CG-CD1 3.93Å; Q881-L885 WeakPolarHBondContact O-CB 3.07Å; Q881-L885 WeakPolarHBondContact O-CD1 3.44Å; Q881-L885 WeakPolarHBondContact O-CG 3.4Å; Q881-L885 PolarHBondContact O-N 2.95Å; L882-L885 PolarHBondContact O-N 2.91Å; L885-D887 VanDerWaalsContact C-N 3.33Å
886	L	79.8	Confident	83	Confident	127 Å²	127	62.1 Å²	62.1	67%	0.665	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.5	176.6	-64	169.5	0	0	0	112.7	L882 H884 V888	L882-L886 WeakPolarHBondContact O-CB 3.36Å; L882-L886 WeakPolarHBondContact O-CD1 3.29Å; L882-L886 VanDerWaalsContact O-CG 3.22Å; L882-L886 WeakPolarHBondContact O-CG 3.47Å; L882-L886 PolarHBondContact O-N 3.18Å; H884-L886 VanDerWaalsContact C-N 3.31Å; H884-L886 PolarHBondContact O-N 3.42Å; L886-V888 HydrophobicContact CB-CG2 3.61Å; L886-V888 PolarHBondContact O-N 2.98Å
887	D	75	Confident	83.3	Confident	54 Å²	54	59.3 Å²	59.3	29%	0.289	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.5	25.9	-174.6	-157.3	21.8	0	0	0	115.7	K549 V883 H884 L885 A889 R890	K549-D887 WeakPolarHBondContact CE-OD2 3.32Å; K549-D887 IonicContact NZ-OD2 3.22Å; K549-D887 PolarHBondContact NZ-OD2 3.46Å; V883-D887 PolarHBondContact O-N 3.01Å; H884-D887 PolarHBondContact O-N 3.02Å; L885-D887 VanDerWaalsContact C-N 3.33Å; D887-A889 PolarHBondContact O-N 3.09Å; D887-A889 VanDerWaalsContact O-N 3.1Å; D887-R890 VanDerWaalsContact OD1-CA 3.3Å; D887-R890 WeakPolarHBondContact OD1-CA 3.44Å; D887-R890 VanDerWaalsContact OD1-CG 3.24Å; D887-R890 WeakPolarHBondContact OD1-CG 3.44Å; D887-R890 PolarHBondContact OD1-N 3.01Å
888	V	65.7	Low	83.5	Confident	86 Å²	86	62.2 Å²	62.2	52%	0.521	35%	0.35	S	S	.	.	S	Bend	trans	-60.8	-28.2	-173.9	-176.3	0	0	0	0	111.8	V883 L886	V883-V888 PolarHBondContact O-N 3.42Å; L886-V888 HydrophobicContact CB-CG2 3.61Å; L886-V888 PolarHBondContact O-N 2.98Å
889	A	62.8	Low	83.9	Confident	44 Å²	44	62.7 Å²	62.7	36%	0.364	35%	0.349	S	S	.	.	S	Bend	trans	-140.2	14.6	-172.8	0	0	0	0	0	114.8	N550 V883 D887 I891	N550-A889 WeakPolarHBondContact ND2-CA 3.34Å; N550-A889 PolarHBondContact ND2-O 3.32Å; N550-A889 VanDerWaalsContact ND2-O 3.1Å; V883-A889 HydrophobicContact CG1-CB 4.13Å; D887-A889 PolarHBondContact O-N 3.09Å; D887-A889 VanDerWaalsContact O-N 3.1Å; A889-I891 HydrophobicContact CB-CD1 3.9Å; A889-I891 HydrophobicContact CB-CG1 3.7Å; A889-I891 PolarHBondContact O-N 3.44Å
890	R	72.1	Confident	84.2	Confident	135 Å²	135	62.7 Å²	62.7	51%	0.509	35%	0.346	S	S	.	.			trans	44	31.3	-174.7	-73.1	180	-107.7	176.8	-6.2	114.8	K549 N550 D887	K549-R890 HydrophobicContact CD-CG 4.2Å; K549-R890 PolarHBondContact O-NH2 2.92Å; N550-R890 VanDerWaalsContact CG-NE 3.33Å; N550-R890 VanDerWaalsContact ND2-CB 3.26Å; N550-R890 WeakPolarHBondContact ND2-CB 3.49Å; N550-R890 WeakPolarHBondContact ND2-CG 3.43Å; N550-R890 PolarHBondContact ND2-N 2.91Å; N550-R890 VanDerWaalsContact ND2-N 3.16Å; N550-R890 PolarHBondContact ND2-NE 3.36Å; N550-R890 WeakPolarHBondContact OD1-CG 3.38Å; N550-R890 PolarHBondContact OD1-NE 2.89Å; D887-R890 VanDerWaalsContact OD1-CA 3.3Å; D887-R890 WeakPolarHBondContact OD1-CA 3.44Å; D887-R890 VanDerWaalsContact OD1-CG 3.24Å; D887-R890 WeakPolarHBondContact OD1-CG 3.44Å; D887-R890 PolarHBondContact OD1-N 3.01Å
891	I	76.8	Confident	84.7	Confident	75 Å²	75	64.4 Å²	64.4	39%	0.385	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-78	144.6	176	-42.1	-178.4	0	0	0	108.1	L880 V883 H884 A889	L880-I891 HydrophobicContact CD1-CB 4.16Å; L880-I891 HydrophobicContact CD1-CG2 3.57Å; V883-I891 HydrophobicContact CG1-CD1 3.94Å; V883-I891 HydrophobicContact CG1-CG1 4.29Å; H884-I891 PolarHBondContact ND1-O 3.03Å; A889-I891 HydrophobicContact CB-CD1 3.9Å; A889-I891 HydrophobicContact CB-CG1 3.7Å; A889-I891 PolarHBondContact O-N 3.44Å
892	S	84	Confident	85.2	Confident	79 Å²	79	65.6 Å²	65.6	55%	0.552	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-61	143.3	168	52.5	0	0	0	0	110.8	L880	L880-S892 WeakPolarHBondContact CD1-O 3.46Å
893	G	85.4	Confident	85.8	Confident	13 Å²	13	65.8 Å²	65.8	13%	0.134	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-60.6	166.6	168	0	0	0	0	0	112.3	H884	H884-G893 PolarHBondContact ND1-N 2.75Å
894	P	91.4	Very high	86.3	Confident	8 Å²	8	65.4 Å²	65.4	5%	0.052	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-55.5	145.2	178	24	-35	0	0	0	112.3	C863 L867 A877 L880 Q881 C930 R931	C863-P894 HydrophobicContact CB-CG 4.01Å; C863-P894 PolarHBondContact SG-O 3.26Å; L867-P894 HydrophobicContact CD1-CG 4.12Å; A877-P894 HydrophobicContact CB-CB 3.88Å; A877-P894 HydrophobicContact CB-CG 4.37Å; L880-P894 HydrophobicContact CD2-CB 4.19Å; Q881-P894 HydrophobicContact CB-CG 4Å; Q881-P894 VanDerWaalsContact OE1-CD 3.28Å; Q881-P894 VanDerWaalsContact OE1-CG 3.25Å; P894-C930 HydrophobicContact CB-CB 4.38Å; P894-R931 CarbonylContact C-O 3.44Å; P894-R931 WeakPolarHBondContact CA-O 3.42Å; P894-R931 WeakPolarHBondContact CB-O 3.37Å
895	C	93.8	Very high	86.9	Confident	74 Å²	74	64.4 Å²	64.4	50%	0.5	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-91.4	145.2	-174.9	-67.4	0	0	0	0	111.7	V897 C930 R931	C895-V897 HydrophobicContact CB-CG1 3.98Å; C895-V897 PolarHBondContact O-N 3.22Å; C895-C930 WeakPolarHBondContact O-CA 3.47Å; C895-R931 PolarHBondContact N-O 3.34Å; C895-R931 PolarHBondContact O-N 2.9Å; C895-R931 VanDerWaalsContact O-N 3.09Å
896	C	95.1	Very high	87.6	Confident	21 Å²	21	60.2 Å²	60.2	14%	0.142	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	105.8	171.7	-171.1	0	0	0	0	110.1	C830 G861 A929	C830-C896 WeakPolarHBondContact CA-SG 3.27Å; C830-C896 HydrophobicContact CB-CB 3.63Å; C830-C896 WeakPolarHBondContact CB-SG 3.41Å; C830-C896 VanDerWaalsContact SG-CA 3.51Å; C830-C896 WeakPolarHBondContact SG-CB 3.35Å; C830-C896 CovalentContact SG-SG 2.03Å; C830-C896 PolarHBondContact SG-SG 3.43Å; G861-C896 VanDerWaalsContact O-CB 3.22Å; G861-C896 WeakPolarHBondContact O-CB 3.39Å; C896-A929 CarbonylContact C-O 3.54Å; C896-A929 WeakPolarHBondContact CA-O 3.47Å
897	V	96	Very high	88.4	Confident	48 Å²	48	56.6 Å²	56.6	29%	0.291	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.3	-171.2	-62.4	0	0	0	0	112.1	C859 C895 H899 C928 A929 R931	C859-V897 PolarHBondContact SG-O 2.79Å; C895-V897 HydrophobicContact CB-CG1 3.98Å; C895-V897 PolarHBondContact O-N 3.22Å; V897-H899 PolarHBondContact O-N 3.03Å; V897-C928 CarbonylContact O-C 3.57Å; V897-C928 VanDerWaalsContact O-CA 3.31Å; V897-C928 WeakPolarHBondContact O-CA 3.25Å; V897-A929 PolarHBondContact N-O 2.75Å; V897-A929 PolarHBondContact O-N 3.05Å; V897-R931 HydrophobicContact CG2-CB 3.75Å; V897-R931 HydrophobicContact CG2-CG 3.55Å
898	P	96.2	Very high	89.4	Confident	61 Å²	61	55.6 Å²	55.6	40%	0.396	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	136.7	169.9	-26.9	37	0	0	0	112	C859 L901 V925	C859-P898 VanDerWaalsContact SG-CA 3.58Å; C859-P898 VanDerWaalsContact SG-N 3.37Å; P898-L901 HydrophobicContact CB-CD1 3.95Å; P898-L901 HydrophobicContact CB-CD2 4.13Å; P898-L901 HydrophobicContact CB-CG 4.1Å; P898-V925 HydrophobicContact CB-CG1 4.12Å; P898-V925 HydrophobicContact CB-CG2 4.07Å; P898-V925 HydrophobicContact CG-CG1 4.4Å; P898-V925 HydrophobicContact CG-CG2 3.82Å
899	H	94.2	Very high	90.6	Very high	62 Å²	62	53.4 Å²	53.4	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-44.5	176.8	179.2	27.7	0	0	0	112.6	N872 V897 S927 A929	N872-H899 WeakPolarHBondContact CB-CD2 3.3Å; N872-H899 VanDerWaalsContact CG-CD2 3.41Å; V897-H899 PolarHBondContact O-N 3.03Å; H899-S927 PolarHBondContact N-O 2.86Å; H899-A929 HydrophobicContact CB-CB 3.7Å
900	Q	94.8	Very high	91.9	Very high	108 Å²	108	53 Å²	53	51%	0.505	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.7	174.2	-63.4	168.7	-25.2	0	0	107.3	E926 S927	Q900-E926 HydrophobicContact CB-CB 4.45Å; Q900-E926 PolarHBondContact O-N 3.2Å; Q900-S927 WeakPolarHBondContact CB-OG 3.43Å; Q900-S927 WeakPolarHBondContact CG-OG 3.42Å; Q900-S927 PolarHBondContact N-O 3.03Å; Q900-S927 PolarHBondContact O-N 3.42Å; Q900-S927 PolarHBondContact OE1-OG 2.92Å
901	L	97.3	Very high	92.7	Very high	62 Å²	62	56.2 Å²	56.2	33%	0.325	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	157.3	175.1	-56.9	95.1	0	0	0	109.2	P898 D922 V924 V925	P898-L901 HydrophobicContact CB-CD1 3.95Å; P898-L901 HydrophobicContact CB-CD2 4.13Å; P898-L901 HydrophobicContact CB-CG 4.1Å; L901-D922 HydrophobicContact CB-CB 4.12Å; L901-D922 HydrophobicContact CD2-CB 4.25Å; L901-D922 WeakPolarHBondContact CD2-O 3.32Å; L901-V924 CarbonylContact C-O 3.52Å; L901-V924 WeakPolarHBondContact CA-O 3.38Å; L901-V924 WeakPolarHBondContact CB-O 3.45Å; L901-V925 HydrophobicContact CD2-CG2 4.33Å
902	S	96.5	Very high	93.2	Very high	37 Å²	37	57.2 Å²	57.2	26%	0.259	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.7	176.8	65.5	0	0	0	0	110	M923 V924 E926	S902-M923 PolarHBondContact O-N 3.15Å; S902-M923 VanDerWaalsContact O-N 3.15Å; S902-V924 PolarHBondContact N-O 3.39Å; S902-V924 PolarHBondContact O-N 3.03Å; S902-V924 WeakPolarHBondContact OG-CB 3.47Å; S902-E926 PolarHBondContact OG-OE1 3.14Å
903	S	96.7	Very high	93.3	Very high	67 Å²	67	54.2 Å²	54.2	47%	0.469	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.4	-173.5	61.3	0	0	0	0	112.7	V919 Y920	S903-V919 VanDerWaalsContact CB-CG1 3.45Å; S903-V919 WeakPolarHBondContact OG-CG1 3.39Å; S903-Y920 CarbonylContact C-O 3.6Å; S903-Y920 WeakPolarHBondContact CA-O 3.43Å; S903-Y920 VanDerWaalsContact CB-O 3.23Å; S903-Y920 WeakPolarHBondContact CB-O 3.26Å
904	Q	96	Very high	93.6	Very high	41 Å²	41	56.9 Å²	56.9	19%	0.192	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.2	172.5	179.2	56.9	60.9	0	0	110	Y854 L906 Y920 M923 V924	Y854-Q904 HydrophobicContact CD2-CB 4.27Å; Y854-Q904 HydrophobicContact CD2-CG 3.85Å; Y854-Q904 HydrophobicContact CE2-CB 4.38Å; Y854-Q904 HydrophobicContact CE2-CG 4.32Å; Y854-Q904 HydrophobicContact CG-CG 4.18Å; Q904-L906 HydrophobicContact CG-CD2 3.98Å; Q904-Y920 PolarHBondContact N-O 2.97Å; Q904-Y920 PolarHBondContact O-N 3.05Å; Q904-M923 HydrophobicContact CB-CB 3.57Å; Q904-M923 HydrophobicContact CB-CE 4.43Å; Q904-M923 HydrophobicContact CB-CG 4Å; Q904-V924 HydrophobicContact CB-CG2 4.36Å
905	S	95.9	Very high	93.7	Very high	59 Å²	59	60.2 Å²	60.2	41%	0.413	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.6	168.5	49	0	0	0	0	110.7	P851 R918	P851-S905 WeakPolarHBondContact CD-O 3.29Å; S905-R918 WeakPolarHBondContact CA-O 3.47Å
906	L	95.1	Very high	93.8	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.8	173.5	-57.4	-176.1	0	0	0	109.7	F839 Q904 R918 Y920 M923	F839-L906 HydrophobicContact CE2-CD2 3.85Å; F839-L906 HydrophobicContact CZ-CD1 4.49Å; F839-L906 HydrophobicContact CZ-CD2 3.62Å; Q904-L906 HydrophobicContact CG-CD2 3.98Å; L906-R918 PolarHBondContact N-O 3.04Å; L906-R918 PolarHBondContact O-N 3.5Å; L906-Y920 HydrophobicContact CB-CD2 4.09Å; L906-Y920 HydrophobicContact CB-CE2 4.22Å; L906-Y920 HydrophobicContact CD1-CD2 3.74Å; L906-Y920 HydrophobicContact CD1-CE2 3.98Å; L906-Y920 HydrophobicContact CD1-CG 4.28Å; L906-Y920 HydrophobicContact CG-CD2 3.93Å; L906-Y920 HydrophobicContact CG-CE2 4.4Å; L906-M923 HydrophobicContact CD1-CE 4.05Å; L906-M923 HydrophobicContact CD2-CE 4.45Å
907	L	96	Very high	93.8	Very high	51 Å²	51	63.9 Å²	63.9	27%	0.267	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.9	165.5	-171.4	74.4	0	0	0	107.3	I849 A850 V915 V916 L917	I849-L907 WeakPolarHBondContact CA-O 3.25Å; I849-L907 HydrophobicContact CB-CD2 4.22Å; I849-L907 HydrophobicContact CB-CG 4.31Å; I849-L907 WeakPolarHBondContact CB-O 3.27Å; I849-L907 HydrophobicContact CD1-CG 4.32Å; I849-L907 HydrophobicContact CG2-CD2 4.05Å; I849-L907 PolarHBondContact N-O 3.41Å; A850-L907 HydrophobicContact CB-CB 4.07Å; A850-L907 HydrophobicContact CB-CD2 4.32Å; A850-L907 PolarHBondContact N-O 3Å; A850-L907 VanDerWaalsContact N-O 3.14Å; A850-L907 PolarHBondContact O-N 3.36Å; L907-V915 HydrophobicContact CD1-CG1 3.64Å; L907-V915 HydrophobicContact CD2-CG1 4.32Å; L907-V915 HydrophobicContact CG-CG1 3.91Å; L907-V916 CarbonylContact C-O 3.6Å; L907-V916 WeakPolarHBondContact CA-O 3.27Å; L907-L917 HydrophobicContact CB-CD1 4.37Å; L907-L917 HydrophobicContact CD1-CB 3.88Å; L907-L917 HydrophobicContact CD1-CD1 4.31Å
908	Y	94.7	Very high	93.7	Very high	33 Å²	33	68 Å²	68	13%	0.129	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.7	-172.4	74.5	-79	0	0	0	112.8	W847 V916 R918 Y920	W847-Y908 AromaticContact CE3-CD2 3.95Å; W847-Y908 HydrophobicContact CE3-CD2 3.95Å; W847-Y908 HydrophobicContact CE3-CG 4.25Å; W847-Y908 HydrophobicContact CZ3-CD2 4.1Å; W847-Y908 HydrophobicContact CZ3-CG 4.25Å; W847-Y908 CarbonylContact O-C 3.55Å; W847-Y908 WeakPolarHBondContact O-CA 3.27Å; W847-Y908 WeakPolarHBondContact O-CB 3.17Å; Y908-V916 HydrophobicContact CD1-CB 4.3Å; Y908-V916 HydrophobicContact CD1-CG1 4.49Å; Y908-V916 WeakPolarHBondContact CD1-O 3.32Å; Y908-V916 HydrophobicContact CE1-CB 3.85Å; Y908-V916 HydrophobicContact CE1-CG1 3.68Å; Y908-V916 PolarHBondContact N-O 3.44Å; Y908-V916 PolarHBondContact O-N 2.95Å; Y908-R918 HydrophobicContact CE1-CB 3.82Å; Y908-Y920 HydrophobicContact CD1-CE2 4.45Å; Y908-Y920 HydrophobicContact CE1-CE2 4.1Å
909	H	92.7	Very high	93.7	Very high	40 Å²	40	69.2 Å²	69.2	19%	0.185	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.3	170.7	-75.9	-79.3	0	0	0	110.6	W847 G913	W847-H909 PolarHBondContact O-N 3.31Å; H909-G913 PolarHBondContact ND1-O 3.17Å
910	S	90.1	Very high	93.7	Very high	35 Å²	35	69.3 Å²	69.3	25%	0.245	37%	0.366	C	S	.	.			trans	-64.4	165.2	170.4	-173.6	0	0	0	0	111.5	N912 G913 D914	S910-N912 PolarHBondContact O-N 3.5Å; S910-G913 WeakPolarHBondContact O-CA 3.23Å; S910-G913 PolarHBondContact O-N 3.44Å; S910-D914 WeakPolarHBondContact CB-O 3.48Å; S910-D914 PolarHBondContact N-O 2.9Å
911	Q	87.6	Confident	93.8	Very high	204 Å²	204	71.9 Å²	71.9	95%	0.953	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26	172.4	-67.7	-178	-2.4	0	0	112.9	G913	Q911-G913 VanDerWaalsContact C-N 3.26Å
912	N	87.8	Confident	93.7	Very high	96 Å²	96	74.4 Å²	74.4	51%	0.513	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.9	171.7	-65.5	-5.2	0	0	0	113.1	S184 S910 D914	S184-N912 WeakPolarHBondContact CA-O 3.45Å; S184-N912 WeakPolarHBondContact CB-O 3.47Å; S910-N912 PolarHBondContact O-N 3.5Å; N912-D914 WeakPolarHBondContact CB-OD2 3.35Å; N912-D914 PolarHBondContact ND2-OD2 2.98Å
913	G	86.8	Confident	93.7	Very high	15 Å²	15	74.4 Å²	74.4	16%	0.155	39%	0.388	C	S	.	.	S	Bend	trans	101.2	-16.6	-166.7	0	0	0	0	0	114.5	H909 S910 Q911	H909-G913 PolarHBondContact ND1-O 3.17Å; S910-G913 WeakPolarHBondContact O-CA 3.23Å; S910-G913 PolarHBondContact O-N 3.44Å; Q911-G913 VanDerWaalsContact C-N 3.26Å
914	D	91.5	Very high	93.7	Very high	69 Å²	69	71.7 Å²	71.7	37%	0.369	37%	0.369	S	S	.	.			trans	-59.5	141.3	-178	-53.3	-41.6	0	0	0	112.9	S184 S910 N912 V916	S184-D914 PolarHBondContact OG-OD1 3.45Å; S910-D914 WeakPolarHBondContact CB-O 3.48Å; S910-D914 PolarHBondContact N-O 2.9Å; N912-D914 WeakPolarHBondContact CB-OD2 3.35Å; N912-D914 PolarHBondContact ND2-OD2 2.98Å; D914-V916 PolarHBondContact O-N 3.16Å
915	V	94	Very high	93.7	Very high	79 Å²	79	70.1 Å²	70.1	48%	0.479	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	112.5	176.7	176.3	0	0	0	0	110.1	I849 L907	I849-V915 HydrophobicContact CD1-CB 4.42Å; I849-V915 HydrophobicContact CD1-CG1 3.83Å; I849-V915 HydrophobicContact CD1-CG2 3.92Å; L907-V915 HydrophobicContact CD1-CG1 3.64Å; L907-V915 HydrophobicContact CD2-CG1 4.32Å; L907-V915 HydrophobicContact CG-CG1 3.91Å
916	V	94.3	Very high	93.7	Very high	46 Å²	46	71.2 Å²	71.2	28%	0.279	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.6	-177.1	177.2	0	0	0	0	110.4	L907 Y908 D914 R918	L907-V916 CarbonylContact C-O 3.6Å; L907-V916 WeakPolarHBondContact CA-O 3.27Å; Y908-V916 HydrophobicContact CD1-CB 4.3Å; Y908-V916 HydrophobicContact CD1-CG1 4.49Å; Y908-V916 WeakPolarHBondContact CD1-O 3.32Å; Y908-V916 HydrophobicContact CE1-CB 3.85Å; Y908-V916 HydrophobicContact CE1-CG1 3.68Å; Y908-V916 PolarHBondContact N-O 3.44Å; Y908-V916 PolarHBondContact O-N 2.95Å; D914-V916 PolarHBondContact O-N 3.16Å; V916-R918 HydrophobicContact CG1-CB 4.34Å
917	L	95.5	Very high	93.7	Very high	125 Å²	125	72.3 Å²	72.3	65%	0.654	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.5	165	179.5	63.5	0	0	0	108.8	L907	L907-L917 HydrophobicContact CB-CD1 4.37Å; L907-L917 HydrophobicContact CD1-CB 3.88Å; L907-L917 HydrophobicContact CD1-CD1 4.31Å
918	R	95	Very high	93.6	Very high	136 Å²	136	70.6 Å²	70.6	51%	0.513	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.5	178.9	-177.5	171.1	-179.8	171.6	2.9	111.2	S905 L906 Y908 V916 Y920	S905-R918 WeakPolarHBondContact CA-O 3.47Å; L906-R918 PolarHBondContact N-O 3.04Å; L906-R918 PolarHBondContact O-N 3.5Å; Y908-R918 HydrophobicContact CE1-CB 3.82Å; V916-R918 HydrophobicContact CG1-CB 4.34Å; R918-Y920 HydrophobicContact CB-CD2 4.24Å; R918-Y920 HydrophobicContact CB-CE2 3.83Å; R918-Y920 HydrophobicContact CG-CD2 4.05Å; R918-Y920 HydrophobicContact CG-CE2 3.79Å
919	V	95.2	Very high	93.6	Very high	86 Å²	86	69 Å²	69	52%	0.521	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124	166.9	179.1	0	0	0	0	108.1	S903	S903-V919 VanDerWaalsContact CB-CG1 3.45Å; S903-V919 WeakPolarHBondContact OG-CG1 3.39Å
920	Y	95.1	Very high	93.7	Very high	64 Å²	64	67.1 Å²	67.1	25%	0.251	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.6	173.1	-78.4	-98.4	0	0	0	108.9	S903 Q904 L906 Y908 R918 M923	S903-Y920 CarbonylContact C-O 3.6Å; S903-Y920 WeakPolarHBondContact CA-O 3.43Å; S903-Y920 VanDerWaalsContact CB-O 3.23Å; S903-Y920 WeakPolarHBondContact CB-O 3.26Å; Q904-Y920 PolarHBondContact N-O 2.97Å; Q904-Y920 PolarHBondContact O-N 3.05Å; L906-Y920 HydrophobicContact CB-CD2 4.09Å; L906-Y920 HydrophobicContact CB-CE2 4.22Å; L906-Y920 HydrophobicContact CD1-CD2 3.74Å; L906-Y920 HydrophobicContact CD1-CE2 3.98Å; L906-Y920 HydrophobicContact CD1-CG 4.28Å; L906-Y920 HydrophobicContact CG-CD2 3.93Å; L906-Y920 HydrophobicContact CG-CE2 4.4Å; Y908-Y920 HydrophobicContact CD1-CE2 4.45Å; Y908-Y920 HydrophobicContact CE1-CE2 4.1Å; R918-Y920 HydrophobicContact CB-CD2 4.24Å; R918-Y920 HydrophobicContact CB-CE2 3.83Å; R918-Y920 HydrophobicContact CG-CD2 4.05Å; R918-Y920 HydrophobicContact CG-CE2 3.79Å; Y920-M923 WeakPolarHBondContact O-CG 3.19Å
921	E	95.6	Very high	93.8	Very high	162 Å²	162	70.2 Å²	70.2	76%	0.757	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	161.8	177.5	-64.9	174.9	168.7	0	0	111	M923	E921-M923 VanDerWaalsContact C-N 3.26Å; E921-M923 PolarHBondContact O-N 3.31Å; E921-M923 VanDerWaalsContact O-N 3.16Å
922	D	95.5	Very high	94.1	Very high	114 Å²	114	63.5 Å²	63.5	61%	0.61	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.6	31.3	177.4	-61.9	-17.8	0	0	0	116.8	L901	L901-D922 HydrophobicContact CB-CB 4.12Å; L901-D922 HydrophobicContact CD2-CB 4.25Å; L901-D922 WeakPolarHBondContact CD2-O 3.32Å
923	M	96	Very high	94.4	Very high	38 Å²	38	61.8 Å²	61.8	19%	0.187	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-30.7	-177.4	-70.3	-73.4	-73.1	0	0	114.1	Y854 S902 Q904 L906 Y920 E921	Y854-M923 HydrophobicContact CE1-CE 4.3Å; Y854-M923 HydrophobicContact CE2-CB 4.2Å; Y854-M923 HydrophobicContact CE2-CE 4.22Å; Y854-M923 WeakPolarHBondContact CE2-O 3.37Å; Y854-M923 WeakPolarHBondContact OH-CE 3.43Å; S902-M923 PolarHBondContact O-N 3.15Å; S902-M923 VanDerWaalsContact O-N 3.15Å; Q904-M923 HydrophobicContact CB-CB 3.57Å; Q904-M923 HydrophobicContact CB-CE 4.43Å; Q904-M923 HydrophobicContact CB-CG 4Å; L906-M923 HydrophobicContact CD1-CE 4.05Å; L906-M923 HydrophobicContact CD2-CE 4.45Å; Y920-M923 WeakPolarHBondContact O-CG 3.19Å; E921-M923 VanDerWaalsContact C-N 3.26Å; E921-M923 PolarHBondContact O-N 3.31Å; E921-M923 VanDerWaalsContact O-N 3.16Å
924	V	97.3	Very high	94.9	Very high	9 Å²	9	64.4 Å²	64.4	6%	0.055	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.9	-172.5	172.4	0	0	0	0	110.2	Y854 A856 R857 L901 S902 Q904	Y854-V924 HydrophobicContact CD2-CG2 3.73Å; Y854-V924 HydrophobicContact CE2-CG2 3.79Å; A856-V924 CarbonylContact O-C 3.46Å; A856-V924 WeakPolarHBondContact O-CA 3.31Å; R857-V924 VanDerWaalsContact NH1-CG1 3.26Å; L901-V924 CarbonylContact C-O 3.52Å; L901-V924 WeakPolarHBondContact CA-O 3.38Å; L901-V924 WeakPolarHBondContact CB-O 3.45Å; S902-V924 PolarHBondContact N-O 3.39Å; S902-V924 PolarHBondContact O-N 3.03Å; S902-V924 WeakPolarHBondContact OG-CB 3.47Å; Q904-V924 HydrophobicContact CB-CG2 4.36Å
925	V	97.2	Very high	95.1	Very high	8 Å²	8	64.1 Å²	64.1	5%	0.048	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.2	176.5	-174.1	0	0	0	0	110.1	R832 A856 R857 P898 L901	R832-V925 WeakPolarHBondContact CD-O 3.45Å; R832-V925 HydrophobicContact CG-CG1 4.24Å; A856-V925 PolarHBondContact O-N 3.3Å; R857-V925 HydrophobicContact CB-CB 4.12Å; R857-V925 WeakPolarHBondContact CD-O 3.1Å; R857-V925 PolarHBondContact NH1-O 3.19Å; P898-V925 HydrophobicContact CB-CG1 4.12Å; P898-V925 HydrophobicContact CB-CG2 4.07Å; P898-V925 HydrophobicContact CG-CG1 4.4Å; P898-V925 HydrophobicContact CG-CG2 3.82Å; L901-V925 HydrophobicContact CD2-CG2 4.33Å
926	E	95.7	Very high	95.1	Very high	83 Å²	83	63.2 Å²	63.2	39%	0.388	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-44.9	172.6	-68.9	-57	150.9	0	0	111.9	R832 R857 Q900 S902	R832-E926 WeakPolarHBondContact CD-O 3.44Å; R832-E926 PolarHBondContact NE-O 3.48Å; R857-E926 IonicContact NH1-OE1 2.72Å; R857-E926 PolarHBondContact NH1-OE1 3.07Å; R857-E926 IonicContact NH1-OE2 2.62Å; Q900-E926 HydrophobicContact CB-CB 4.45Å; Q900-E926 PolarHBondContact O-N 3.2Å; S902-E926 PolarHBondContact OG-OE1 3.14Å
927	S	94.1	Very high	95.2	Very high	26 Å²	26	64.3 Å²	64.3	18%	0.182	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155	177.5	67.4	0	0	0	0	112.7	H899 Q900	H899-S927 PolarHBondContact N-O 2.86Å; Q900-S927 WeakPolarHBondContact CB-OG 3.43Å; Q900-S927 WeakPolarHBondContact CG-OG 3.42Å; Q900-S927 PolarHBondContact N-O 3.03Å; Q900-S927 PolarHBondContact O-N 3.42Å; Q900-S927 PolarHBondContact OE1-OG 2.92Å
928	C	94.9	Very high	95.2	Very high	15 Å²	15	60 Å²	60	10%	0.101	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	161.1	179.4	-60.3	0	0	0	0	111.5	R832 C859 V897	R832-C928 VanDerWaalsContact CA-SG 3.55Å; C859-C928 WeakPolarHBondContact CA-SG 3.41Å; C859-C928 HydrophobicContact CB-CB 3.83Å; C859-C928 WeakPolarHBondContact CB-SG 3.45Å; C859-C928 VanDerWaalsContact SG-CA 3.55Å; C859-C928 WeakPolarHBondContact SG-CB 3.49Å; C859-C928 CovalentContact SG-SG 2.03Å; C859-C928 PolarHBondContact SG-SG 2.83Å; V897-C928 CarbonylContact O-C 3.57Å; V897-C928 VanDerWaalsContact O-CA 3.31Å; V897-C928 WeakPolarHBondContact O-CA 3.25Å
929	A	94.4	Very high	95.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	163.4	172.6	0	0	0	0	0	111.9	Y871 N872 C896 V897 H899 R931	Y871-A929 CarbonylContact O-C 3.59Å; Y871-A929 WeakPolarHBondContact O-CA 3.49Å; Y871-A929 WeakPolarHBondContact O-CB 3.49Å; N872-A929 HydrophobicContact CB-CB 3.98Å; C896-A929 CarbonylContact C-O 3.54Å; C896-A929 WeakPolarHBondContact CA-O 3.47Å; V897-A929 PolarHBondContact N-O 2.75Å; V897-A929 PolarHBondContact O-N 3.05Å; H899-A929 HydrophobicContact CB-CB 3.7Å; A929-R931 HydrophobicContact CB-CG 4.2Å
930	C	94.2	Very high	95.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.1	164.9	-70.3	0	0	0	0	109.4	C863 L867 Y871 T873 A877 P894 C895	C863-C930 VanDerWaalsContact CA-SG 3.54Å; C863-C930 HydrophobicContact CB-CB 3.82Å; C863-C930 WeakPolarHBondContact CB-SG 3.45Å; C863-C930 WeakPolarHBondContact SG-CB 3.5Å; C863-C930 CovalentContact SG-SG 2.03Å; C863-C930 PolarHBondContact SG-SG 3.06Å; L867-C930 HydrophobicContact CD2-CB 3.85Å; Y871-C930 PolarHBondContact O-N 2.92Å; T873-C930 HydrophobicContact CG2-CB 3.71Å; T873-C930 WeakPolarHBondContact CG2-O 3.25Å; A877-C930 WeakPolarHBondContact CB-O 3.43Å; P894-C930 HydrophobicContact CB-CB 4.38Å; C895-C930 WeakPolarHBondContact O-CA 3.47Å
931	R	92.3	Very high	95.2	Very high	99 Å²	99	50.4 Å²	50.4	37%	0.374	25%	0.246	S	C	.	.			trans	-134.9	0	-172.3	-66.5	-61.1	174.6	101.2	-9.7	114	N872 H876 P894 C895 V897 A929	N872-R931 PolarHBondContact O-NE 3.14Å; N872-R931 VanDerWaalsContact O-NE 3.07Å; N872-R931 PolarHBondContact O-NH2 2.89Å; H876-R931 PolarHBondContact ND1-OXT 3.25Å; P894-R931 CarbonylContact C-O 3.44Å; P894-R931 WeakPolarHBondContact CA-O 3.42Å; P894-R931 WeakPolarHBondContact CB-O 3.37Å; C895-R931 PolarHBondContact N-O 3.34Å; C895-R931 PolarHBondContact O-N 2.9Å; C895-R931 VanDerWaalsContact O-N 3.09Å; V897-R931 HydrophobicContact CG2-CB 3.75Å; V897-R931 HydrophobicContact CG2-CG 3.55Å; A929-R931 HydrophobicContact CB-CG 4.2Å

Retrieved 931 of 931 residues in 134.8 ms (Link to these results)

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