A0A077ZHP1_TRITR Loading...

PAZ and DUF1785 and Piwi domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZHP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 863 aa.

						>A0A077ZHP1_TRITR|A0A077ZHP1
MTSTSGELSSSVSELTISNLIARPDYGTEGKRIQLVSNFVELKKVAAGVIEVVQYHVDIDSDKVKLTRDDKRSIFWKLVKENRKVFTKPFSLAYDGEALLFSKEPLPIKENAAFESEVKIQVLRSSRPIEVKVSIKKSGSVKLIFKDQKSGVGLSPDSEQSPIQVVDVVLAQGRACTLVSRAERFCVVGNSAYEVPARSGVNLKLGVELWRGLFISARVGEGYRPMVNIDVSHAAFYRPQSVLNYICDVLNADRSPPRYSIDQIQSNTRLSDGELKIIGRAVKGLRVTVTHRQCGAQYRIIGIAADASRQMFTMRDGREISVVDYFKETYLQLRYPRMPALQAGSKNRSIYLPVEVCNVAEKQRYGAGKLSGFQTTLVIRQCAMDAPTRLKVCMEMMRQANLENDEFLKEFGLDIARTFVEVPGRVLPPPKLEYKRGSRSAVVEPSNGTWQMRDVQFFQGGKCANFSAIAFGRPSSLGQVGEFCTNVAKVCTDLGVNMGRKADMLLPVSDVTAFEKVLQRLVSEYKEHNKRCRLVLVSLSDTKEYSEVKRVADVKFGIMTQCFMQRVLHDVVVKRSVMTATNLALKVNMKMGGVNTRLLADPFVKANLTDKDTLVLGVDVTHPHVADRDSPSIAAVVGNMGVNSVFRGRVSRTIRAFANPNDRKPSRIILFRDGVSEGEFRQVLREGLCALRAACRSLDKGYRPGITYVVVQKRHHARFMCKDDSLAVGKGRNIPAGTVIDRRVTSLDGYDFYLCSHTGIQGTSKPAKYNVLYDDNNLKADTMQAIAYYLCHIYGRCMRSVSIPAPVYFAHLACYRSRHHSYLLTGSSDESLGSRGKKEQQSKVEFTRAVTVHDNIRSTMYFV
					

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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	19.3	Very low	27.3	Very low	243 Å²	243	137.6 Å²	137.6	100%	1.197	84%	0.844	S	S	*	*				0	125.6	0	-74.7	-177.8	179	0	0	106.9
2	T	23.2	Very low	28.3	Very low	146 Å²	146	134.9 Å²	134.9	90%	0.896	83%	0.827	S	S	*	*			trans	-54.8	123.8	175.4	37.1	0	0	0	0	110.1
3	S	26.2	Very low	29.1	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	80%	0.801	S	S	*	*			trans	-92.7	123.8	162.9	58.8	0	0	0	0	107.5	S5	S3-S5 PolarHBondContact O-N 3.41Å
4	T	29.6	Very low	29.8	Very low	134 Å²	134	133.4 Å²	133.4	82%	0.822	80%	0.803	S	S	*	*			trans	-43.2	120.8	168.9	41.2	0	0	0	0	111.2	G6	T4-G6 PolarHBondContact O-N 3.07Å; T4-G6 VanDerWaalsContact O-N 3.16Å
5	S	27.6	Very low	30.5	Very low	129 Å²	129	133.7 Å²	133.7	90%	0.902	80%	0.798	S	S	*	*	S	Bend	trans	-75.6	88.6	169.9	48.8	0	0	0	0	108.8	S3	S3-S5 PolarHBondContact O-N 3.41Å
6	G	26	Very low	31.7	Very low	56 Å²	56	131.6 Å²	131.6	58%	0.577	79%	0.787	S	S	*	*			trans	-174.4	126	174.4	0	0	0	0	0	109.3	T4	T4-G6 PolarHBondContact O-N 3.07Å; T4-G6 VanDerWaalsContact O-N 3.16Å
7	E	27.1	Very low	33.1	Very low	188 Å²	188	127.6 Å²	127.6	88%	0.879	76%	0.76	S	S	*	*			trans	77.9	60.5	167.7	-53.4	-179.7	176.2	0	0	118
8	L	30.8	Very low	34.4	Very low	174 Å²	174	123.3 Å²	123.3	91%	0.911	74%	0.737	S	S	*	*			trans	-137.1	56.2	152.4	-83.8	168.8	0	0	0	109.7
9	S	29.8	Very low	36.6	Very low	118 Å²	118	122.8 Å²	122.8	83%	0.825	73%	0.73	S	S	*	*			trans	-117	61.6	169.9	68.8	0	0	0	0	110
10	S	28.2	Very low	39.1	Very low	101 Å²	101	119.2 Å²	119.2	71%	0.706	71%	0.706	S	S	*	*	S	Bend	trans	-151.1	115.4	165.9	55.2	0	0	0	0	111.5
11	S	32.4	Very low	41.6	Very low	111 Å²	111	115.9 Å²	115.9	78%	0.776	69%	0.685	S	S	*	*	S	Bend	trans	70.6	135.4	156.3	72.1	0	0	0	0	118.7
12	V	39.8	Very low	45	Very low	105 Å²	105	107.4 Å²	107.4	64%	0.636	65%	0.653	S	S	*	*	S	Bend	trans	88.5	80.5	164.5	-160.3	0	0	0	0	115.5	E14	V12-E14 PolarHBondContact O-N 2.84Å
13	S	38	Very low	48.2	Very low	69 Å²	69	101.8 Å²	101.8	48%	0.483	62%	0.616	S	S	.	*			trans	52.3	66.8	136.8	74	0	0	0	0	115.7	L15	S13-L15 PolarHBondContact O-N 2.88Å; S13-L15 VanDerWaalsContact O-N 3.15Å
14	E	39.2	Very low	51.5	Low	179 Å²	179	98.9 Å²	98.9	84%	0.836	60%	0.595	S	S	*	*			trans	-64.4	9.6	143.3	-73.3	-167.2	150	0	0	112.1	V12 T16	V12-E14 PolarHBondContact O-N 2.84Å; E14-T16 PolarHBondContact O-N 3.47Å
15	L	40.8	Very low	54.6	Low	139 Å²	139	95 Å²	95	73%	0.728	57%	0.569	S	S	*	*			trans	-45.8	93.5	162	-74.9	158.4	0	0	0	108.8	S13 I17	S13-L15 PolarHBondContact O-N 2.88Å; S13-L15 VanDerWaalsContact O-N 3.15Å; L15-I17 PolarHBondContact O-N 3.26Å
16	T	49.3	Very low	57.8	Low	100 Å²	100	91.6 Å²	91.6	61%	0.613	54%	0.536	S	S	*	.			trans	55.2	61.3	148.9	47	0	0	0	0	115.5	E14 S18	E14-T16 PolarHBondContact O-N 3.47Å; T16-S18 VanDerWaalsContact CB-OG 3.27Å; T16-S18 WeakPolarHBondContact CB-OG 3.39Å; T16-S18 WeakPolarHBondContact CG2-OG 3.45Å; T16-S18 PolarHBondContact O-N 2.98Å
17	I	56.2	Low	61.2	Low	64 Å²	64	88.9 Å²	88.9	33%	0.328	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	51	138.5	-47.6	159.9	0	0	0	107.9	L15 L684 L688	L15-I17 PolarHBondContact O-N 3.26Å; I17-L684 HydrophobicContact CG2-CD2 3.97Å; I17-L684 HydrophobicContact CG2-CG 4.04Å; I17-L688 HydrophobicContact CD1-CD2 3.71Å; I17-L688 HydrophobicContact CD1-CG 4.31Å; I17-L688 HydrophobicContact CG1-CD2 4.06Å; I17-L688 HydrophobicContact CG2-CD2 4.18Å
18	S	56.6	Low	64.6	Low	50 Å²	50	84.6 Å²	84.6	35%	0.35	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-28.5	177.4	61.9	0	0	0	0	110.3	T16 R681	T16-S18 VanDerWaalsContact CB-OG 3.27Å; T16-S18 WeakPolarHBondContact CB-OG 3.39Å; T16-S18 WeakPolarHBondContact CG2-OG 3.45Å; T16-S18 PolarHBondContact O-N 2.98Å; S18-R681 PolarHBondContact O-NE 3.45Å
19	N	75.3	Confident	67.8	Low	114 Å²	114	82 Å²	82	61%	0.61	48%	0.479	S	S	*	.	S	Bend	trans	-111.7	135.9	-170.6	-61.8	-10.9	0	0	0	110.7
20	L	87.3	Confident	71	Confident	49 Å²	49	77.7 Å²	77.7	26%	0.257	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-70.4	146.6	169.5	-56.2	178.6	0	0	0	108.5	P156 F680 R681 L684 L772	L20-P156 HydrophobicContact CD1-CG 4.29Å; L20-F680 HydrophobicContact CD1-CB 4.22Å; L20-F680 HydrophobicContact CD1-CD2 4.25Å; L20-F680 HydrophobicContact CD2-CB 4.32Å; L20-R681 HydrophobicContact CD2-CG 4.34Å; L20-L684 HydrophobicContact CD2-CD2 4Å; L20-L772 HydrophobicContact CD1-CD2 4.43Å; L20-L772 HydrophobicContact CD2-CB 4.14Å; L20-L772 HydrophobicContact CD2-CD2 4.18Å
21	I	91.6	Very high	74.3	Confident	51 Å²	51	81 Å²	81	26%	0.262	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-64.4	141.3	179.6	-163	176	0	0	0	111.6	Y750 V771 L772 D774	I21-Y750 HydrophobicContact CG2-CD1 4.29Å; I21-V771 HydrophobicContact CG2-CB 4.46Å; I21-V771 HydrophobicContact CG2-CG1 4.07Å; I21-V771 WeakPolarHBondContact CG2-O 3.14Å; I21-L772 PolarHBondContact N-O 3.44Å; I21-D774 HydrophobicContact CD1-CB 3.62Å
22	A	89.8	Confident	77.5	Confident	64 Å²	64	86.7 Å²	86.7	53%	0.529	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-77.7	154.3	172.6	0	0	0	0	0	111.9	D748	A22-D748 WeakPolarHBondContact CA-O 3.46Å
23	R	91.7	Very high	80.3	Confident	28 Å²	28	82.1 Å²	82.1	11%	0.106	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-62	126.7	173.8	-174.8	-175	-56.2	-80.8	0.1	110.8	D25 S746 D748 G749 Y750 D751	R23-D25 VanDerWaalsContact CD-O 3.22Å; R23-D25 WeakPolarHBondContact CD-O 2.77Å; R23-D25 WeakPolarHBondContact CG-O 3.46Å; R23-S746 PolarHBondContact NH2-O 3.01Å; R23-S746 VanDerWaalsContact NH2-O 3.09Å; R23-D748 PolarHBondContact N-O 3.46Å; R23-G749 VanDerWaalsContact CZ-O 3.25Å; R23-G749 PolarHBondContact NE-O 3.13Å; R23-G749 PolarHBondContact NH2-O 3.04Å; R23-Y750 HydrophobicContact CG-CD2 4.15Å; R23-D751 PolarHBondContact NH1-O 3.48Å; R23-D751 PolarHBondContact NH2-O 3.28Å; R23-D751 IonicContact NH2-OD1 3.79Å; R23-D751 PolarHBondContact NH2-OD1 3.46Å
24	P	93.8	Very high	83.1	Confident	54 Å²	54	83.7 Å²	83.7	35%	0.351	43%	0.431	S	S	.	.			trans	-79.5	-27.5	-179.2	29.4	-33.7	0	0	0	113.8	Y750 K779	P24-Y750 HydrophobicContact CG-CD1 4.18Å; P24-Y750 HydrophobicContact CG-CE1 3.61Å; P24-Y750 HydrophobicContact CG-CE2 4.46Å; P24-K779 HydrophobicContact CB-CD 3.97Å; P24-K779 HydrophobicContact CG-CD 4.26Å
25	D	95.2	Very high	86	Confident	53 Å²	53	75.2 Å²	75.2	28%	0.283	39%	0.391	S	S	.	.			trans	-172.4	174.2	-178.5	56.3	-7.1	0	0	0	110.8	R23 K779 A780	R23-D25 VanDerWaalsContact CD-O 3.22Å; R23-D25 WeakPolarHBondContact CD-O 2.77Å; R23-D25 WeakPolarHBondContact CG-O 3.46Å; D25-K779 WeakPolarHBondContact OD2-CB 3.44Å; D25-K779 WeakPolarHBondContact OD2-CD 3.48Å; D25-A780 WeakPolarHBondContact O-CB 3.31Å; D25-A780 WeakPolarHBondContact OD1-CB 3.49Å; D25-A780 PolarHBondContact OD1-N 2.94Å
26	Y	96	Very high	88.7	Confident	56 Å²	56	69.3 Å²	69.3	22%	0.22	36%	0.361	C	S	.	.			trans	-102.7	145.8	167.3	-69.3	-78.4	0	0	0	109.9	E221 D741 R742	Y26-E221 PolarHBondContact OH-OE1 3.48Å; Y26-E221 VanDerWaalsContact OH-OE1 3.08Å; Y26-D741 WeakPolarHBondContact CD1-O 3.39Å; Y26-D741 WeakPolarHBondContact CE1-O 3.36Å; Y26-R742 VanDerWaalsContact CB-NH2 3.28Å; Y26-R742 HydrophobicContact CD1-CG 3.61Å; Y26-R742 HydrophobicContact CE1-CG 3.78Å; Y26-R742 HydrophobicContact CG-CG 4.25Å
27	G	96.9	Very high	91.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.332	C	S	.	.			trans	-71.1	153.4	178.4	0	0	0	0	0	112.1	R425 D741 R742 D781	G27-R425 PolarHBondContact O-NE 3.01Å; G27-D741 PolarHBondContact N-OD2 2.87Å; G27-R742 PolarHBondContact O-NH1 3.37Å; G27-R742 PolarHBondContact O-NH2 2.8Å; G27-D781 WeakPolarHBondContact CA-OD1 3.43Å
28	T	98	Very high	93	Very high	98 Å²	98	61.5 Å²	61.5	60%	0.601	32%	0.316	S	S	*	.			trans	-127.9	-23.6	-172.8	58.9	0	0	0	0	112.7	D781	T28-D781 VanDerWaalsContact N-CG 3.3Å; T28-D781 PolarHBondContact N-OD1 3.5Å; T28-D781 PolarHBondContact N-OD2 2.91Å; T28-D781 PolarHBondContact OG1-OD2 2.67Å
29	E	97.5	Very high	95	Very high	118 Å²	118	59.2 Å²	59.2	55%	0.551	30%	0.3	S	S	*	.			trans	-73.9	153.9	-175	-72.4	-59.7	142.8	0	0	114.8	R425 L427 D781	E29-R425 WeakPolarHBondContact O-CD 3.5Å; E29-R425 PolarHBondContact O-NH1 2.71Å; E29-L427 HydrophobicContact CB-CD2 4.49Å; E29-L427 WeakPolarHBondContact O-CD2 3.28Å; E29-D781 HydrophobicContact CB-CB 4.34Å; E29-D781 HydrophobicContact CG-CB 4.12Å; E29-D781 PolarHBondContact N-OD1 2.96Å; E29-D781 PolarHBondContact N-OD2 2.65Å
30	G	97.7	Very high	96	Very high	28 Å²	28	53.8 Å²	53.8	29%	0.289	27%	0.271	S	S	.	.	S	Bend	trans	86.4	171.4	177.7	0	0	0	0	0	115.1	R32 V426	G30-R32 PolarHBondContact O-N 3.36Å; G30-V426 CarbonylContact C-O 3.49Å; G30-V426 WeakPolarHBondContact CA-O 3.23Å
31	K	98.2	Very high	96.3	Very high	172 Å²	172	54.6 Å²	54.6	75%	0.748	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.1	-172.1	-65.3	-176	-179.6	-177.1	0	110.7	R425 V426	K31-R425 CarbonylContact O-C 3.49Å; K31-R425 VanDerWaalsContact O-CA 3.3Å; K31-R425 WeakPolarHBondContact O-CA 3.46Å; K31-V426 PolarHBondContact N-O 2.65Å; K31-V426 PolarHBondContact O-N 2.94Å
32	R	98.4	Very high	96.4	Very high	230 Å²	230	52.6 Å²	52.6	87%	0.868	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	139.4	176.7	-64.1	-177.9	-177.8	-171.6	0.6	110.6	G30	G30-R32 PolarHBondContact O-N 3.36Å
33	I	98.3	Very high	96.4	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.5	175.9	-173.9	167.9	0	0	0	109.4	L35 G424 V426 L726 P735 T738	I33-L35 HydrophobicContact CD1-CD2 3.98Å; I33-L35 HydrophobicContact CG1-CD2 3.87Å; I33-L35 HydrophobicContact CG2-CD2 4.13Å; I33-L35 HydrophobicContact CG2-CG 4.3Å; I33-G424 PolarHBondContact N-O 3.14Å; I33-G424 WeakPolarHBondContact O-CA 3.41Å; I33-G424 PolarHBondContact O-N 2.93Å; I33-V426 HydrophobicContact CB-CG2 4.32Å; I33-V426 HydrophobicContact CD1-CG2 4.38Å; I33-V426 HydrophobicContact CG2-CG2 3.9Å; I33-L726 HydrophobicContact CD1-CB 3.99Å; I33-L726 HydrophobicContact CD1-CD1 3.86Å; I33-L726 HydrophobicContact CG1-CD1 3.79Å; I33-P735 HydrophobicContact CD1-CG 4.3Å; I33-T738 HydrophobicContact CG2-CG2 4.26Å
34	Q	98.7	Very high	95.9	Very high	103 Å²	103	57.7 Å²	57.7	48%	0.481	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.2	173.9	-67.4	-63.2	-8.4	0	0	110.3	K722	Q34-K722 HydrophobicContact CB-CB 4.04Å; Q34-K722 HydrophobicContact CB-CD 4.2Å; Q34-K722 WeakPolarHBondContact O-CB 3.36Å; Q34-K722 PolarHBondContact O-N 2.77Å
35	L	98.7	Very high	95.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	159.1	-174.3	-54.7	177.7	0	0	0	110.7	I33 E421 V422 M720 I734 T738 I740	I33-L35 HydrophobicContact CD1-CD2 3.98Å; I33-L35 HydrophobicContact CG1-CD2 3.87Å; I33-L35 HydrophobicContact CG2-CD2 4.13Å; I33-L35 HydrophobicContact CG2-CG 4.3Å; L35-E421 WeakPolarHBondContact O-CA 3.41Å; L35-V422 HydrophobicContact CB-CG2 4.05Å; L35-V422 WeakPolarHBondContact CB-O 3.28Å; L35-V422 PolarHBondContact N-O 3.49Å; L35-V422 PolarHBondContact O-N 3.44Å; L35-M720 CarbonylContact C-O 3.57Å; L35-M720 VanDerWaalsContact CA-O 3.3Å; L35-M720 WeakPolarHBondContact CA-O 3.17Å; L35-I734 HydrophobicContact CD2-CB 4.5Å; L35-I734 HydrophobicContact CD2-CG2 3.58Å; L35-T738 HydrophobicContact CD1-CG2 3.69Å; L35-I740 HydrophobicContact CD1-CD1 3.94Å; L35-I740 HydrophobicContact CD1-CG1 3.68Å
36	V	98.4	Very high	94.2	Very high	15 Å²	15	58.9 Å²	58.9	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.7	167.1	-175.6	0	0	0	0	107.9	L390 F419 E421 F719 M720 K722	V36-L390 HydrophobicContact CB-CD2 4.46Å; V36-L390 HydrophobicContact CG1-CD2 4.09Å; V36-F419 HydrophobicContact CG1-CB 3.46Å; V36-F419 VanDerWaalsContact CG1-CB 3.46Å; V36-F419 HydrophobicContact CG1-CD2 4.3Å; V36-F419 HydrophobicContact CG1-CG 4.28Å; V36-E421 HydrophobicContact CG2-CG 4.46Å; V36-F719 WeakPolarHBondContact O-CA 3.3Å; V36-M720 HydrophobicContact CB-CE 3.65Å; V36-M720 HydrophobicContact CB-CG 3.97Å; V36-M720 HydrophobicContact CG1-CE 3.85Å; V36-M720 HydrophobicContact CG2-CE 3.95Å; V36-M720 PolarHBondContact N-O 2.98Å; V36-M720 PolarHBondContact O-N 2.92Å; V36-K722 HydrophobicContact CG2-CB 4.18Å; V36-K722 HydrophobicContact CG2-CG 4.37Å
37	S	98.2	Very high	93	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	173.1	177.5	71.2	0	0	0	0	111.5	F39 F419 V420 R718	S37-F39 VanDerWaalsContact C-N 3.29Å; S37-F39 PolarHBondContact OG-N 2.68Å; S37-F419 WeakPolarHBondContact O-CB 3.41Å; S37-F419 WeakPolarHBondContact O-CD1 3.41Å; S37-F419 WeakPolarHBondContact O-CG 3.35Å; S37-V420 PolarHBondContact N-O 2.92Å; S37-V420 PolarHBondContact OG-O 2.96Å; S37-R718 CarbonylContact C-O 3.53Å; S37-R718 WeakPolarHBondContact CA-O 3.46Å
38	N	97.4	Very high	92.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.342	C	S	.	.	S	Bend	trans	-96.7	34.4	165.9	70.7	-29.7	0	0	0	112.5	N228 I229 L390 F419 H716 A717 R718	N38-N228 PolarHBondContact ND2-ND2 3.42Å; N38-N228 VanDerWaalsContact ND2-ND2 3.18Å; N38-N228 PolarHBondContact O-ND2 3.42Å; N38-N228 PolarHBondContact OD1-ND2 3.01Å; N38-I229 VanDerWaalsContact CB-O 3.29Å; N38-I229 WeakPolarHBondContact CB-O 3.22Å; N38-I229 PolarHBondContact ND2-O 2.96Å; N38-I229 PolarHBondContact O-N 3.11Å; N38-L390 HydrophobicContact CB-CG 4.4Å; N38-F419 HydrophobicContact CB-CE1 4.25Å; N38-H716 PolarHBondContact ND2-O 2.85Å; N38-A717 WeakPolarHBondContact OD1-CA 3.46Å; N38-R718 HydrophobicContact CB-CB 4.47Å; N38-R718 PolarHBondContact N-O 3.48Å; N38-R718 PolarHBondContact OD1-N 2.96Å; N38-R718 PolarHBondContact OD1-O 3.39Å
39	F	98	Very high	91.6	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.013	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.9	170.9	-70.1	-111.8	0	0	0	109.3	S37 R218 M226 V227 N228 F419 V420 A717 V744	S37-F39 VanDerWaalsContact C-N 3.29Å; S37-F39 PolarHBondContact OG-N 2.68Å; F39-R218 HydrophobicContact CE1-CB 3.97Å; F39-R218 HydrophobicContact CE1-CG 3.91Å; F39-M226 HydrophobicContact CB-SD 4.28Å; F39-M226 HydrophobicContact CD1-CB 4.16Å; F39-M226 HydrophobicContact CD1-SD 4.43Å; F39-V227 CarbonylContact C-O 3.59Å; F39-V227 WeakPolarHBondContact CA-O 3.33Å; F39-N228 HydrophobicContact CD1-CB 3.98Å; F39-N228 HydrophobicContact CE1-CB 3.75Å; F39-N228 HydrophobicContact CE2-CB 4.38Å; F39-N228 HydrophobicContact CG-CB 4.41Å; F39-N228 HydrophobicContact CZ-CB 3.96Å; F39-F419 CarbonylContact O-C 3.53Å; F39-F419 VanDerWaalsContact O-CA 3.3Å; F39-F419 WeakPolarHBondContact O-CA 3.29Å; F39-F419 WeakPolarHBondContact O-CD1 3.48Å; F39-V420 HydrophobicContact CB-CB 4.3Å; F39-V420 HydrophobicContact CB-CG2 4.31Å; F39-V420 PolarHBondContact O-N 2.74Å; F39-A717 HydrophobicContact CE2-CB 3.72Å; F39-A717 HydrophobicContact CZ-CB 4.12Å; F39-V744 HydrophobicContact CB-CG1 4.28Å; F39-V744 HydrophobicContact CD1-CG1 4.43Å; F39-V744 HydrophobicContact CD2-CB 4.41Å; F39-V744 HydrophobicContact CD2-CG1 4.06Å; F39-V744 HydrophobicContact CE2-CB 4.37Å; F39-V744 HydrophobicContact CG-CG1 4.02Å; F39-V744 HydrophobicContact CZ-CB 4.45Å
40	V	96	Very high	91.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.1	168.9	-63.1	0	0	0	0	108.5	M226 V227 I229 M394 M397 I415 A416 F419	V40-M226 CarbonylContact O-C 3.59Å; V40-M226 VanDerWaalsContact O-CA 3.25Å; V40-M226 WeakPolarHBondContact O-CA 3.49Å; V40-M226 WeakPolarHBondContact O-CB 3.5Å; V40-V227 HydrophobicContact CG2-CB 3.86Å; V40-V227 PolarHBondContact N-O 3.26Å; V40-V227 PolarHBondContact O-N 2.77Å; V40-I229 HydrophobicContact CG1-CD1 4.33Å; V40-I229 HydrophobicContact CG2-CD1 3.59Å; V40-I229 HydrophobicContact CG2-CG1 4.27Å; V40-M394 HydrophobicContact CG1-CE 3.92Å; V40-M397 HydrophobicContact CG1-SD 4.43Å; V40-I415 HydrophobicContact CB-CG1 4.32Å; V40-I415 HydrophobicContact CG2-CD1 3.51Å; V40-I415 HydrophobicContact CG2-CG1 3.41Å; V40-I415 VanDerWaalsContact CG2-CG1 3.41Å; V40-A416 HydrophobicContact CB-CB 4.34Å; V40-F419 HydrophobicContact CG1-CD1 3.74Å; V40-F419 HydrophobicContact CG1-CE1 4.06Å
41	E	94.3	Very high	91	Very high	65 Å²	65	58.7 Å²	58.7	30%	0.304	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.9	177	-62.9	-172	162.8	0	0	110.5	M226 A416 V420 R743	E41-M226 HydrophobicContact CG-CG 4.48Å; E41-A416 HydrophobicContact CB-CB 4.09Å; E41-A416 WeakPolarHBondContact O-CB 3.33Å; E41-A416 PolarHBondContact O-N 3.14Å; E41-V420 HydrophobicContact CG-CG2 3.73Å; E41-R743 IonicContact OE1-NH2 3.66Å; E41-R743 PolarHBondContact OE1-NH2 3.11Å
42	L	93.2	Very high	90.8	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.6	167.1	-172.3	77.1	0	0	0	107.1	V166 P225 V227 L413 D414	L42-V166 HydrophobicContact CD1-CG1 4.41Å; L42-V166 HydrophobicContact CD2-CG1 3.64Å; L42-V166 HydrophobicContact CD2-CG2 4.01Å; L42-P225 HydrophobicContact CB-CB 4.04Å; L42-P225 HydrophobicContact CB-CG 4.31Å; L42-P225 HydrophobicContact CD2-CB 4.02Å; L42-P225 PolarHBondContact N-O 3.38Å; L42-V227 HydrophobicContact CB-CG2 4.19Å; L42-V227 HydrophobicContact CD1-CG2 3.94Å; L42-L413 HydrophobicContact CD1-CB 4.5Å; L42-L413 HydrophobicContact CD2-CD2 4.17Å; L42-L413 HydrophobicContact CG-CD2 4.48Å; L42-D414 CarbonylContact C-O 3.52Å
43	K	89.2	Confident	90.8	Very high	99 Å²	99	40.3 Å²	40.3	43%	0.43	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.1	179.8	-64.1	179.7	-177.8	179.3	0	109.4	D414	K43-D414 HydrophobicContact CB-CB 4.14Å; K43-D414 PolarHBondContact N-O 2.91Å; K43-D414 PolarHBondContact O-N 3.38Å
44	K	83.1	Confident	90.7	Very high	100 Å²	100	41.8 Å²	41.8	44%	0.435	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	116.8	168.8	178.5	179.1	172.4	-170.2	0	108.2	A46 G48 I50	K44-A46 WeakPolarHBondContact CE-O 3.44Å; K44-G48 WeakPolarHBondContact CE-O 3.44Å; K44-G48 PolarHBondContact NZ-O 3.28Å; K44-I50 HydrophobicContact CD-CD1 4.3Å; K44-I50 HydrophobicContact CG-CD1 3.86Å
45	V	79.5	Confident	90.7	Very high	100 Å²	100	37 Å²	37	61%	0.606	22%	0.22	S	C	*	.			trans	-100.1	-23.3	-179	-121.1	0	0	0	0	112	G412 D414	V45-G412 PolarHBondContact N-O 3.33Å; V45-D414 HydrophobicContact CG2-CB 3.59Å
46	A	73.7	Confident	90.6	Very high	31 Å²	31	41.2 Å²	41.2	26%	0.256	24%	0.239	S	C	.	.	S	Bend	trans	-71.5	138.7	174.8	0	0	0	0	0	112.4	K44 I50 G412	K44-A46 WeakPolarHBondContact CE-O 3.44Å; A46-I50 HydrophobicContact CB-CD1 4.1Å; A46-I50 HydrophobicContact CB-CG1 3.88Å; A46-G412 PolarHBondContact N-O 3.32Å
47	A	69.3	Low	90.6	Very high	104 Å²	104	40.5 Å²	40.5	86%	0.86	24%	0.235	S	C	*	.	S	Bend	trans	-68	142.9	167.9	0	0	0	0	0	110.8
48	G	80.1	Confident	90.6	Very high	53 Å²	53	44.8 Å²	44.8	55%	0.546	26%	0.258	S	S	.	.	S	Bend	trans	69.7	-177.5	178.2	0	0	0	0	0	114.1	K44	K44-G48 WeakPolarHBondContact CE-O 3.44Å; K44-G48 PolarHBondContact NZ-O 3.28Å
49	V	85	Confident	90.5	Very high	59 Å²	59	44.8 Å²	44.8	36%	0.358	26%	0.258	S	S	.	.			trans	-71.5	129.3	-177.4	178.7	0	0	0	0	110.5	E51 K142 I144	V49-E51 PolarHBondContact O-N 3.22Å; V49-K142 HydrophobicContact CG1-CB 4.06Å; V49-K142 HydrophobicContact CG1-CD 4.38Å; V49-K142 HydrophobicContact CG1-CG 4.19Å; V49-I144 HydrophobicContact CG1-CG2 3.78Å; V49-I144 HydrophobicContact CG2-CG2 4.36Å
50	I	89.5	Confident	90.1	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	28%	0.282	C	S	.	.			trans	-79.1	108.7	169.9	-63.5	160.9	0	0	0	107.2	K44 A46 V52 L143 F411 L413	K44-I50 HydrophobicContact CD-CD1 4.3Å; K44-I50 HydrophobicContact CG-CD1 3.86Å; A46-I50 HydrophobicContact CB-CD1 4.1Å; A46-I50 HydrophobicContact CB-CG1 3.88Å; I50-V52 HydrophobicContact CG2-CG1 4.13Å; I50-L143 HydrophobicContact CB-CB 4.12Å; I50-L143 HydrophobicContact CB-CD1 4.18Å; I50-L143 HydrophobicContact CB-CG 4.29Å; I50-L143 HydrophobicContact CG2-CB 4.33Å; I50-L143 HydrophobicContact CG2-CD1 3.59Å; I50-L143 HydrophobicContact CG2-CG 3.93Å; I50-L143 PolarHBondContact O-N 2.93Å; I50-F411 WeakPolarHBondContact CD1-O 3.44Å; I50-L413 HydrophobicContact CD1-CD2 3.99Å
51	E	93.3	Very high	89.7	Confident	80 Å²	80	50 Å²	50	37%	0.374	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.8	166.4	-171.8	160.4	-169.5	0	0	108.9	V49 S140 K142	V49-E51 PolarHBondContact O-N 3.22Å; E51-S140 VanDerWaalsContact OE1-CB 3.31Å; E51-S140 WeakPolarHBondContact OE1-CB 3.5Å; E51-S140 PolarHBondContact OE1-OG 2.9Å; E51-K142 HydrophobicContact CB-CG 4.2Å; E51-K142 HydrophobicContact CG-CG 3.98Å; E51-K142 WeakPolarHBondContact OE2-CE 3.5Å
52	V	95.5	Very high	89.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.7	174.5	-58	0	0	0	0	109	I50 F101 S102 S140 V141 V165 F411	I50-V52 HydrophobicContact CG2-CG1 4.13Å; V52-F101 HydrophobicContact CG2-CB 4.42Å; V52-F101 HydrophobicContact CG2-CD1 4.13Å; V52-S102 CarbonylContact C-O 3.52Å; V52-S102 WeakPolarHBondContact CA-O 3.49Å; V52-S140 CarbonylContact O-C 3.22Å; V52-S140 VanDerWaalsContact O-CA 3.26Å; V52-S140 WeakPolarHBondContact O-CA 3.34Å; V52-S140 WeakPolarHBondContact O-CB 3.48Å; V52-V141 HydrophobicContact CG2-CB 3.94Å; V52-V141 WeakPolarHBondContact CG2-O 3.38Å; V52-V141 PolarHBondContact N-O 2.79Å; V52-V141 PolarHBondContact O-N 3.08Å; V52-V165 HydrophobicContact CG1-CG1 4.45Å; V52-V165 HydrophobicContact CG2-CG1 3.9Å; V52-V165 HydrophobicContact CG2-CG2 3.97Å; V52-F411 HydrophobicContact CB-CE1 4.44Å; V52-F411 HydrophobicContact CG1-CD1 3.74Å; V52-F411 HydrophobicContact CG1-CE1 3.72Å
53	V	96.9	Very high	88.5	Confident	15 Å²	15	61.7 Å²	61.7	9%	0.091	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.6	175.6	-169.4	0	0	0	0	108.6	Y55 F101 S102 P105 K137	V53-Y55 HydrophobicContact CB-CE2 3.69Å; V53-Y55 HydrophobicContact CG1-CD2 4.25Å; V53-Y55 HydrophobicContact CG1-CE1 4.43Å; V53-Y55 HydrophobicContact CG1-CE2 3.46Å; V53-Y55 VanDerWaalsContact CG1-CE2 3.46Å; V53-Y55 WeakPolarHBondContact CG1-OH 3.12Å; V53-F101 WeakPolarHBondContact O-CA 3.32Å; V53-S102 PolarHBondContact N-O 3.02Å; V53-S102 PolarHBondContact O-N 3.44Å; V53-P105 HydrophobicContact CG2-CB 4.31Å; V53-P105 HydrophobicContact CG2-CG 3.97Å; V53-K137 HydrophobicContact CG1-CD 4.26Å; V53-K137 HydrophobicContact CG1-CG 4.03Å
54	Q	97.1	Very high	88.1	Confident	40 Å²	40	58.2 Å²	58.2	19%	0.187	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.5	179.5	-172.2	-174.9	-69	0	0	110.4	L99 F101 S138 G139	Q54-L99 HydrophobicContact CG-CD2 4.46Å; Q54-F101 HydrophobicContact CB-CD1 4.08Å; Q54-F101 HydrophobicContact CB-CE1 4.03Å; Q54-F101 HydrophobicContact CG-CD1 3.98Å; Q54-F101 HydrophobicContact CG-CE1 3.56Å; Q54-F101 HydrophobicContact CG-CZ 4.47Å; Q54-S138 WeakPolarHBondContact CG-OG 3.24Å; Q54-S138 PolarHBondContact NE2-OG 3.33Å; Q54-S138 VanDerWaalsContact NE2-OG 3.14Å; Q54-S138 PolarHBondContact O-N 3.06Å; Q54-S138 PolarHBondContact O-OG 2.87Å; Q54-G139 PolarHBondContact N-O 3.43Å; Q54-G139 PolarHBondContact O-N 2.89Å; Q54-G139 VanDerWaalsContact O-N 3.11Å
55	Y	98.1	Very high	88.1	Confident	1 Å²	1	61.9 Å²	61.9	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.1	175.5	-60.9	-95.6	0	0	0	110.3	V53 L100 L106 I108 I135 K136 K137	V53-Y55 HydrophobicContact CB-CE2 3.69Å; V53-Y55 HydrophobicContact CG1-CD2 4.25Å; V53-Y55 HydrophobicContact CG1-CE1 4.43Å; V53-Y55 HydrophobicContact CG1-CE2 3.46Å; V53-Y55 VanDerWaalsContact CG1-CE2 3.46Å; V53-Y55 WeakPolarHBondContact CG1-OH 3.12Å; Y55-L100 HydrophobicContact CD2-CD2 4.44Å; Y55-L100 HydrophobicContact CD2-CG 4.42Å; Y55-L100 HydrophobicContact CG-CD2 4.45Å; Y55-L100 PolarHBondContact N-O 3.49Å; Y55-L100 PolarHBondContact O-N 2.9Å; Y55-L106 HydrophobicContact CD2-CD1 4.34Å; Y55-L106 HydrophobicContact CE1-CB 4.26Å; Y55-L106 HydrophobicContact CE1-CD1 4.29Å; Y55-L106 HydrophobicContact CE2-CD1 4.07Å; Y55-L106 HydrophobicContact CE2-CG 4.15Å; Y55-L106 PolarHBondContact OH-N 3.49Å; Y55-I108 HydrophobicContact CD1-CD1 4.29Å; Y55-I108 HydrophobicContact CE1-CD1 4.07Å; Y55-I135 HydrophobicContact CD1-CG2 3.89Å; Y55-I135 HydrophobicContact CG-CG2 4.08Å; Y55-K136 CarbonylContact C-O 3.54Å; Y55-K136 VanDerWaalsContact CA-O 3.24Å; Y55-K136 WeakPolarHBondContact CA-O 3.16Å; Y55-K137 VanDerWaalsContact CD1-CA 3.47Å; Y55-K137 HydrophobicContact CD1-CB 3.97Å; Y55-K137 HydrophobicContact CE1-CB 3.77Å; Y55-K137 HydrophobicContact CE1-CG 4.14Å
56	H	97.3	Very high	88.6	Confident	89 Å²	89	58 Å²	58	41%	0.412	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.6	165.4	-172.5	71	0	0	0	108.8	A98 I135 K136	H56-A98 WeakPolarHBondContact CA-O 3.45Å; H56-A98 PolarHBondContact ND1-O 3.42Å; H56-I135 WeakPolarHBondContact O-CA 3.37Å; H56-K136 PolarHBondContact N-O 3.27Å; H56-K136 PolarHBondContact O-N 2.82Å
57	V	98	Very high	89.2	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.6	177.1	-172	0	0	0	0	108.2	I59 F75 Y94 A98 L100 V133 S134 I135	V57-I59 HydrophobicContact CG1-CD1 3.94Å; V57-I59 HydrophobicContact CG1-CG1 3.74Å; V57-F75 HydrophobicContact CG1-CD2 4.33Å; V57-Y94 HydrophobicContact CB-CD2 4.49Å; V57-Y94 HydrophobicContact CB-CE2 3.81Å; V57-Y94 HydrophobicContact CG1-CE2 4.16Å; V57-Y94 HydrophobicContact CG2-CD2 4.06Å; V57-Y94 HydrophobicContact CG2-CE2 3.88Å; V57-A98 PolarHBondContact N-O 2.83Å; V57-A98 WeakPolarHBondContact O-CA 3.49Å; V57-L100 HydrophobicContact CG2-CB 3.42Å; V57-L100 VanDerWaalsContact CG2-CB 3.42Å; V57-L100 HydrophobicContact CG2-CD2 4.12Å; V57-L100 HydrophobicContact CG2-CG 4.41Å; V57-V133 HydrophobicContact CG1-CG1 4.11Å; V57-S134 WeakPolarHBondContact CA-O 3.18Å; V57-I135 HydrophobicContact CG1-CG1 4.18Å; V57-I135 HydrophobicContact CG2-CG1 4.3Å
58	D	97.4	Very high	90.1	Very high	89 Å²	89	57.5 Å²	57.5	48%	0.476	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.7	170.1	-167.7	23.6	0	0	0	109.7	V133 S134	D58-V133 WeakPolarHBondContact O-CA 3.39Å; D58-S134 PolarHBondContact N-O 3Å; D58-S134 PolarHBondContact O-N 3.46Å
59	I	96.4	Very high	90.5	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	103.8	178.2	-54.2	-179	0	0	0	106.4	V57 L66 K71 I74 F75 Y94 V131 V133	V57-I59 HydrophobicContact CG1-CD1 3.94Å; V57-I59 HydrophobicContact CG1-CG1 3.74Å; I59-L66 HydrophobicContact CG2-CD1 3.68Å; I59-K71 HydrophobicContact CB-CG 4.18Å; I59-K71 HydrophobicContact CD1-CB 4.22Å; I59-K71 WeakPolarHBondContact CD1-O 3.29Å; I59-K71 HydrophobicContact CG2-CG 4.28Å; I59-K71 WeakPolarHBondContact O-CE 3.38Å; I59-I74 HydrophobicContact CD1-CB 4.47Å; I59-I74 HydrophobicContact CD1-CG2 4.27Å; I59-I74 HydrophobicContact CG2-CB 4.29Å; I59-I74 HydrophobicContact CG2-CD1 3.9Å; I59-I74 HydrophobicContact CG2-CG2 3.86Å; I59-F75 HydrophobicContact CD1-CB 4.08Å; I59-Y94 HydrophobicContact CD1-CE1 4.36Å; I59-V131 HydrophobicContact CG2-CG1 3.64Å; I59-V133 HydrophobicContact CD1-CG1 4.42Å; I59-V133 HydrophobicContact CG1-CG1 3.93Å; I59-V133 HydrophobicContact CG1-CG2 4.17Å; I59-V133 HydrophobicContact CG2-CG2 4.36Å
60	D	89.3	Confident	90.7	Very high	98 Å²	98	56.3 Å²	56.3	52%	0.524	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.9	179.1	-159.7	19.5	0	0	0	112.3	V131	D60-V131 VanDerWaalsContact O-CG1 3.31Å; D60-V131 WeakPolarHBondContact O-CG1 3.32Å
61	S	87.1	Confident	90.9	Very high	13 Å²	13	57.6 Å²	57.6	9%	0.091	28%	0.281	C	S	.	.			trans	-139.5	122.8	177.9	-177.6	0	0	0	0	110.6	K63 V64	S61-K63 PolarHBondContact O-N 3.03Å; S61-K63 VanDerWaalsContact O-N 3.08Å; S61-K63 PolarHBondContact OG-N 3.3Å; S61-V64 PolarHBondContact O-N 3.4Å
62	D	83	Confident	90.9	Very high	169 Å²	169	54.4 Å²	54.4	90%	0.904	27%	0.266	S	S	*	.	S	Bend	trans	-61.2	-20	173.7	-56.6	-39.5	0	0	0	112.8
63	K	80.2	Confident	90.8	Very high	153 Å²	153	56.6 Å²	56.6	67%	0.665	28%	0.281	S	S	*	.	S	Bend	trans	-93.2	-37	-172.7	-64.8	178.3	-179.4	168.4	0	112.9	S61 I129	S61-K63 PolarHBondContact O-N 3.03Å; S61-K63 VanDerWaalsContact O-N 3.08Å; S61-K63 PolarHBondContact OG-N 3.3Å; K63-I129 HydrophobicContact CD-CG2 4.27Å
64	V	80.3	Confident	90.7	Very high	26 Å²	26	55.9 Å²	55.9	16%	0.158	28%	0.277	C	S	.	.	S	Bend	trans	-147.2	130.4	-169.6	-176	0	0	0	0	111	S61 L66 V122 R124 I129	S61-V64 PolarHBondContact O-N 3.4Å; V64-L66 PolarHBondContact O-N 2.92Å; V64-V122 HydrophobicContact CG1-CG2 4.42Å; V64-R124 HydrophobicContact CG1-CB 3.65Å; V64-I129 HydrophobicContact CB-CD1 4.36Å; V64-I129 HydrophobicContact CG2-CD1 4.37Å
65	K	83.5	Confident	90.7	Very high	177 Å²	177	54 Å²	54	77%	0.77	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-64.6	122.4	170	-175.2	170.1	-175	165.1	0	110.9	R124	K65-R124 PolarHBondContact O-NH1 2.95Å
66	L	89	Confident	90.7	Very high	19 Å²	19	54 Å²	54	10%	0.099	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-85.4	145.4	-179.5	-57.3	176.5	0	0	0	112	I59 V64 D70 K71 I74 V122 V131	I59-L66 HydrophobicContact CG2-CD1 3.68Å; V64-L66 PolarHBondContact O-N 2.92Å; L66-D70 HydrophobicContact CB-CB 4.19Å; L66-D70 HydrophobicContact CD2-CB 4.1Å; L66-K71 HydrophobicContact CB-CG 4.15Å; L66-K71 HydrophobicContact CD1-CG 4.45Å; L66-I74 HydrophobicContact CD1-CD1 3.77Å; L66-I74 HydrophobicContact CD2-CD1 4.05Å; L66-V122 HydrophobicContact CD2-CG1 4.05Å; L66-V131 HydrophobicContact CD1-CG1 4.05Å
67	T	86.6	Confident	90.6	Very high	35 Å²	35	53 Å²	53	22%	0.215	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-86.9	167.2	163	60.7	0	0	0	0	111.5	D69 D70 K71 R124	T67-D69 PolarHBondContact O-N 3.19Å; T67-D69 PolarHBondContact OG1-N 2.94Å; T67-D70 WeakPolarHBondContact CB-OD2 3.38Å; T67-D70 PolarHBondContact N-OD2 3.32Å; T67-D70 WeakPolarHBondContact O-CB 3.23Å; T67-D70 PolarHBondContact O-N 3.4Å; T67-D70 VanDerWaalsContact O-N 3.17Å; T67-D70 PolarHBondContact OG1-N 2.92Å; T67-D70 PolarHBondContact OG1-OD2 2.96Å; T67-K71 WeakPolarHBondContact O-CG 3.39Å; T67-K71 PolarHBondContact O-N 3.38Å; T67-R124 VanDerWaalsContact CG2-NH1 3.28Å
68	R	89	Confident	90.6	Very high	88 Å²	88	53 Å²	53	33%	0.332	26%	0.262	S	S	.	.	H	α-helix	trans	-54.1	-36.9	168	-158.7	177.3	176.1	172.7	-2.4	112.7	R72 D95 G96	R68-R72 VanDerWaalsContact NE-NH2 3.12Å; R68-R72 WeakPolarHBondContact O-CG 3.28Å; R68-R72 PolarHBondContact O-N 2.97Å; R68-D95 PolarHBondContact NE-O 3.3Å; R68-D95 PolarHBondContact NH2-O 3.33Å; R68-G96 WeakPolarHBondContact CA-O 3.29Å; R68-G96 WeakPolarHBondContact CG-O 3.43Å
69	D	87	Confident	90.6	Very high	75 Å²	75	48.7 Å²	48.7	40%	0.401	24%	0.239	S	C	.	.	H	α-helix	trans	-76.5	-33.6	178.5	-65.1	-25	0	0	0	112.5	T67 R72 S73	T67-D69 PolarHBondContact O-N 3.19Å; T67-D69 PolarHBondContact OG1-N 2.94Å; D69-R72 PolarHBondContact O-N 3.2Å; D69-R72 IonicContact OD1-NH1 3.74Å; D69-R72 PolarHBondContact OD1-NH1 3.49Å; D69-S73 WeakPolarHBondContact O-CB 3.41Å; D69-S73 PolarHBondContact O-N 3.27Å; D69-S73 PolarHBondContact O-OG 3.42Å
70	D	89.9	Confident	90.5	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-49.1	170.3	-60.3	-54.2	0	0	0	109.6	L66 T67 R72 S73 I74 V122	L66-D70 HydrophobicContact CB-CB 4.19Å; L66-D70 HydrophobicContact CD2-CB 4.1Å; T67-D70 WeakPolarHBondContact CB-OD2 3.38Å; T67-D70 PolarHBondContact N-OD2 3.32Å; T67-D70 WeakPolarHBondContact O-CB 3.23Å; T67-D70 PolarHBondContact O-N 3.4Å; T67-D70 VanDerWaalsContact O-N 3.17Å; T67-D70 PolarHBondContact OG1-N 2.92Å; T67-D70 PolarHBondContact OG1-OD2 2.96Å; D70-R72 VanDerWaalsContact C-N 3.34Å; D70-R72 PolarHBondContact O-N 3.04Å; D70-S73 WeakPolarHBondContact O-CB 3.43Å; D70-S73 PolarHBondContact O-N 3.24Å; D70-S73 VanDerWaalsContact O-N 3.11Å; D70-I74 WeakPolarHBondContact O-CD1 3.47Å; D70-I74 VanDerWaalsContact O-CG1 3.23Å; D70-I74 WeakPolarHBondContact O-CG1 3.29Å; D70-I74 PolarHBondContact O-N 3.16Å; D70-V122 HydrophobicContact CB-CG1 4.31Å
71	K	94.5	Very high	90.8	Very high	28 Å²	28	55.2 Å²	55.2	12%	0.122	26%	0.264	C	S	.	.	H	α-helix	trans	-57	-44	176.8	-74.4	-174.9	171.7	-169.5	0	112.2	I59 L66 T67 I74 F75 G96 E97	I59-K71 HydrophobicContact CB-CG 4.18Å; I59-K71 HydrophobicContact CD1-CB 4.22Å; I59-K71 WeakPolarHBondContact CD1-O 3.29Å; I59-K71 HydrophobicContact CG2-CG 4.28Å; I59-K71 WeakPolarHBondContact O-CE 3.38Å; L66-K71 HydrophobicContact CB-CG 4.15Å; L66-K71 HydrophobicContact CD1-CG 4.45Å; T67-K71 WeakPolarHBondContact O-CG 3.39Å; T67-K71 PolarHBondContact O-N 3.38Å; K71-I74 PolarHBondContact O-N 3.34Å; K71-F75 WeakPolarHBondContact O-CB 3.29Å; K71-F75 PolarHBondContact O-N 2.99Å; K71-G96 VanDerWaalsContact CB-O 3.26Å; K71-G96 WeakPolarHBondContact CB-O 3.35Å; K71-E97 PolarHBondContact NZ-O 2.88Å; K71-E97 IonicContact NZ-OE1 2.7Å; K71-E97 PolarHBondContact NZ-OE1 3.43Å
72	R	93.5	Very high	91.2	Very high	12 Å²	12	56.6 Å²	56.6	5%	0.045	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-47.7	172.9	-76.1	178.4	-178.1	128.6	-2.6	112.2	R68 D69 D70 I74 F75 W76 Y94 D95 G96	R68-R72 VanDerWaalsContact NE-NH2 3.12Å; R68-R72 WeakPolarHBondContact O-CG 3.28Å; R68-R72 PolarHBondContact O-N 2.97Å; D69-R72 PolarHBondContact O-N 3.2Å; D69-R72 IonicContact OD1-NH1 3.74Å; D69-R72 PolarHBondContact OD1-NH1 3.49Å; D70-R72 VanDerWaalsContact C-N 3.34Å; D70-R72 PolarHBondContact O-N 3.04Å; R72-I74 VanDerWaalsContact C-N 3.31Å; R72-I74 PolarHBondContact O-N 3.43Å; R72-F75 PolarHBondContact O-N 2.75Å; R72-W76 PolarHBondContact O-N 3.08Å; R72-Y94 HydrophobicContact CG-CD1 4.49Å; R72-D95 PolarHBondContact NH2-O 3.02Å; R72-G96 VanDerWaalsContact CG-CA 3.44Å
73	S	92.3	Very high	91.7	Very high	46 Å²	46	56.8 Å²	56.8	32%	0.322	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-40.6	-178.8	-56.9	0	0	0	0	111.4	D69 D70 K77	D69-S73 WeakPolarHBondContact O-CB 3.41Å; D69-S73 PolarHBondContact O-N 3.27Å; D69-S73 PolarHBondContact O-OG 3.42Å; D70-S73 WeakPolarHBondContact O-CB 3.43Å; D70-S73 PolarHBondContact O-N 3.24Å; D70-S73 VanDerWaalsContact O-N 3.11Å; S73-K77 WeakPolarHBondContact O-CB 3.19Å; S73-K77 PolarHBondContact O-N 3.26Å
74	I	95.6	Very high	92.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-50.9	175.5	-67.9	158.8	0	0	0	110.7	I59 L66 D70 K71 R72 W76 K77 L78 V118 I120 V122 V131 V133	I59-I74 HydrophobicContact CD1-CB 4.47Å; I59-I74 HydrophobicContact CD1-CG2 4.27Å; I59-I74 HydrophobicContact CG2-CB 4.29Å; I59-I74 HydrophobicContact CG2-CD1 3.9Å; I59-I74 HydrophobicContact CG2-CG2 3.86Å; L66-I74 HydrophobicContact CD1-CD1 3.77Å; L66-I74 HydrophobicContact CD2-CD1 4.05Å; D70-I74 WeakPolarHBondContact O-CD1 3.47Å; D70-I74 VanDerWaalsContact O-CG1 3.23Å; D70-I74 WeakPolarHBondContact O-CG1 3.29Å; D70-I74 PolarHBondContact O-N 3.16Å; K71-I74 PolarHBondContact O-N 3.34Å; R72-I74 VanDerWaalsContact C-N 3.31Å; R72-I74 PolarHBondContact O-N 3.43Å; I74-W76 PolarHBondContact O-N 3.18Å; I74-K77 PolarHBondContact O-N 3.41Å; I74-L78 PolarHBondContact O-N 3.28Å; I74-V118 HydrophobicContact CG2-CB 4.19Å; I74-V118 HydrophobicContact CG2-CG1 4.46Å; I74-V118 HydrophobicContact CG2-CG2 4.29Å; I74-I120 HydrophobicContact CD1-CG2 4.29Å; I74-I120 HydrophobicContact CG1-CD1 3.74Å; I74-I120 HydrophobicContact CG1-CG2 3.82Å; I74-V122 HydrophobicContact CD1-CG1 4.49Å; I74-V131 HydrophobicContact CD1-CB 4.41Å; I74-V131 HydrophobicContact CD1-CG1 4.15Å; I74-V131 HydrophobicContact CD1-CG2 4.13Å; I74-V131 HydrophobicContact CG2-CG1 4.46Å; I74-V133 HydrophobicContact CG2-CG2 3.58Å
75	F	97.5	Very high	92.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-49.6	-179.9	174.7	-99.1	0	0	0	112.2	V57 I59 K71 R72 K77 L78 V79 L92 Y94 L100 I135	V57-F75 HydrophobicContact CG1-CD2 4.33Å; I59-F75 HydrophobicContact CD1-CB 4.08Å; K71-F75 WeakPolarHBondContact O-CB 3.29Å; K71-F75 PolarHBondContact O-N 2.99Å; R72-F75 PolarHBondContact O-N 2.75Å; F75-K77 VanDerWaalsContact C-N 3.3Å; F75-K77 PolarHBondContact O-N 3.45Å; F75-L78 VanDerWaalsContact O-CB 3.29Å; F75-L78 WeakPolarHBondContact O-CB 3.19Å; F75-L78 PolarHBondContact O-N 3.27Å; F75-V79 HydrophobicContact CD1-CG2 4.3Å; F75-V79 HydrophobicContact CE1-CG2 3.76Å; F75-V79 HydrophobicContact CE2-CG2 4.08Å; F75-V79 HydrophobicContact CZ-CG2 3.62Å; F75-V79 WeakPolarHBondContact O-CG2 3.46Å; F75-V79 PolarHBondContact O-N 2.82Å; F75-L92 HydrophobicContact CZ-CD1 4.45Å; F75-Y94 HydrophobicContact CB-CD1 3.59Å; F75-Y94 HydrophobicContact CB-CE1 3.58Å; F75-Y94 HydrophobicContact CB-CG 4.45Å; F75-Y94 AromaticContact CD1-CD1 3.49Å; F75-Y94 HydrophobicContact CD1-CD1 3.49Å; F75-Y94 VanDerWaalsContact CD1-CD1 3.49Å; F75-Y94 HydrophobicContact CD1-CE1 4.36Å; F75-Y94 AromaticContact CD1-CG 3.74Å; F75-Y94 HydrophobicContact CD1-CG 3.74Å; F75-Y94 HydrophobicContact CD2-CD1 4.25Å; F75-Y94 HydrophobicContact CD2-CG 4.33Å; F75-Y94 HydrophobicContact CE1-CD1 4.29Å; F75-Y94 HydrophobicContact CE1-CG 4.08Å; F75-Y94 AromaticContact CG-CD1 3.48Å; F75-Y94 HydrophobicContact CG-CD1 3.48Å; F75-Y94 VanDerWaalsContact CG-CD1 3.48Å; F75-Y94 AromaticContact CG-CE1 3.9Å; F75-Y94 HydrophobicContact CG-CE1 3.9Å; F75-Y94 AromaticContact CG-CG 3.88Å; F75-Y94 HydrophobicContact CG-CG 3.88Å; F75-L100 HydrophobicContact CE1-CD1 4.28Å; F75-L100 HydrophobicContact CE2-CD1 4.22Å; F75-L100 HydrophobicContact CE2-CD2 3.81Å; F75-L100 HydrophobicContact CZ-CD1 3.56Å; F75-L100 HydrophobicContact CZ-CD2 3.91Å; F75-L100 HydrophobicContact CZ-CG 4.31Å; F75-I135 HydrophobicContact CE2-CD1 4.07Å
76	W	96.6	Very high	93.4	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-71.4	-27.1	-178.5	-72.6	117.4	0	0	0	112.9	R72 I74 V79 K80 L92 C176 T177 L178 F407	R72-W76 PolarHBondContact O-N 3.08Å; I74-W76 PolarHBondContact O-N 3.18Å; W76-V79 HydrophobicContact CE3-CB 4.15Å; W76-V79 HydrophobicContact CE3-CG1 4.12Å; W76-V79 HydrophobicContact CE3-CG2 4.23Å; W76-V79 HydrophobicContact CZ3-CG1 4.21Å; W76-V79 HydrophobicContact CZ3-CG2 4.48Å; W76-K80 WeakPolarHBondContact O-CB 3.49Å; W76-K80 PolarHBondContact O-N 2.6Å; W76-L92 HydrophobicContact CH2-CB 4.12Å; W76-L92 HydrophobicContact CZ3-CB 4.46Å; W76-C176 HydrophobicContact CD2-CB 4.36Å; W76-C176 HydrophobicContact CH2-CB 4.5Å; W76-C176 HydrophobicContact CZ2-CB 3.84Å; W76-C176 VanDerWaalsContact CZ2-SG 3.58Å; W76-T177 WeakPolarHBondContact CB-OG1 3.42Å; W76-L178 HydrophobicContact CB-CG 4.33Å; W76-L178 HydrophobicContact CD2-CG 4.47Å; W76-L178 HydrophobicContact CE3-CD1 3.6Å; W76-L178 HydrophobicContact CE3-CG 3.98Å; W76-L178 HydrophobicContact CZ3-CD1 4.05Å; W76-F407 AromaticContact CH2-CE1 3.78Å; W76-F407 HydrophobicContact CH2-CE1 3.78Å; W76-F407 HydrophobicContact CH2-CZ 4.13Å; W76-F407 HydrophobicContact CZ2-CE1 4.34Å; W76-F407 HydrophobicContact CZ2-CZ 4.48Å
77	K	95.9	Very high	93.6	Very high	69 Å²	69	55 Å²	55	30%	0.3	26%	0.259	S	S	.	.	H	α-helix	trans	-65.5	-46.8	168.5	-178.5	169.8	179	171.1	0	111.4	S73 I74 F75 V79 K80 E81 V118 K119 I120	S73-K77 WeakPolarHBondContact O-CB 3.19Å; S73-K77 PolarHBondContact O-N 3.26Å; I74-K77 PolarHBondContact O-N 3.41Å; F75-K77 VanDerWaalsContact C-N 3.3Å; F75-K77 PolarHBondContact O-N 3.45Å; K77-V79 VanDerWaalsContact C-N 3.3Å; K77-V79 PolarHBondContact O-N 2.99Å; K77-K80 WeakPolarHBondContact O-CB 3.47Å; K77-K80 PolarHBondContact O-N 2.92Å; K77-K80 VanDerWaalsContact O-N 3.13Å; K77-E81 VanDerWaalsContact CE-CD 3.49Å; K77-E81 WeakPolarHBondContact CE-OE1 3.38Å; K77-E81 HydrophobicContact CG-CG 4.46Å; K77-E81 IonicContact NZ-OE1 3.61Å; K77-E81 WeakPolarHBondContact O-CG 3.22Å; K77-E81 PolarHBondContact O-N 3.33Å; K77-V118 HydrophobicContact CB-CG1 4.19Å; K77-V118 HydrophobicContact CD-CG1 3.72Å; K77-V118 HydrophobicContact CG-CG1 3.83Å; K77-K119 WeakPolarHBondContact CE-O 3.44Å; K77-K119 PolarHBondContact NZ-O 3.12Å; K77-I120 HydrophobicContact CD-CD1 4.38Å; K77-I120 HydrophobicContact CD-CG1 4.45Å
78	L	97.2	Very high	94	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-53.6	-48.4	173.8	179.4	72.5	0	0	0	111.4	I74 F75 K80 E81 N82 F86 F114 S116 V118 V133 I135	I74-L78 PolarHBondContact O-N 3.28Å; F75-L78 VanDerWaalsContact O-CB 3.29Å; F75-L78 WeakPolarHBondContact O-CB 3.19Å; F75-L78 PolarHBondContact O-N 3.27Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 2.85Å; L78-E81 PolarHBondContact O-N 2.96Å; L78-N82 VanDerWaalsContact CD1-ND2 3.28Å; L78-N82 WeakPolarHBondContact CD1-ND2 3.27Å; L78-N82 WeakPolarHBondContact O-CB 3.21Å; L78-N82 PolarHBondContact O-N 3.3Å; L78-N82 PolarHBondContact O-ND2 2.73Å; L78-F86 HydrophobicContact CD2-CE2 4.4Å; L78-F86 HydrophobicContact CD2-CZ 4.35Å; L78-F86 HydrophobicContact CG-CE2 4.18Å; L78-F114 HydrophobicContact CD1-CE1 4.14Å; L78-F114 HydrophobicContact CD2-CE1 4.1Å; L78-F114 HydrophobicContact CG-CE1 4.34Å; L78-S116 VanDerWaalsContact CD1-CB 3.43Å; L78-S116 WeakPolarHBondContact CD1-OG 3.32Å; L78-V118 HydrophobicContact CB-CG2 3.75Å; L78-V118 HydrophobicContact CD1-CG2 3.62Å; L78-V118 HydrophobicContact CG-CG2 4.26Å; L78-V133 HydrophobicContact CD2-CB 4.01Å; L78-V133 HydrophobicContact CD2-CG1 3.62Å; L78-V133 HydrophobicContact CD2-CG2 4.49Å; L78-I135 HydrophobicContact CD2-CD1 3.97Å
79	V	97.3	Very high	94.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-44.8	178	168.2	0	0	0	0	111.2	F75 W76 K77 E81 N82 F86 P89 L92 L178	F75-V79 HydrophobicContact CD1-CG2 4.3Å; F75-V79 HydrophobicContact CE1-CG2 3.76Å; F75-V79 HydrophobicContact CE2-CG2 4.08Å; F75-V79 HydrophobicContact CZ-CG2 3.62Å; F75-V79 WeakPolarHBondContact O-CG2 3.46Å; F75-V79 PolarHBondContact O-N 2.82Å; W76-V79 HydrophobicContact CE3-CB 4.15Å; W76-V79 HydrophobicContact CE3-CG1 4.12Å; W76-V79 HydrophobicContact CE3-CG2 4.23Å; W76-V79 HydrophobicContact CZ3-CG1 4.21Å; W76-V79 HydrophobicContact CZ3-CG2 4.48Å; K77-V79 VanDerWaalsContact C-N 3.3Å; K77-V79 PolarHBondContact O-N 2.99Å; V79-E81 PolarHBondContact O-N 3.37Å; V79-N82 PolarHBondContact O-N 3.43Å; V79-F86 HydrophobicContact CB-CB 4.42Å; V79-F86 HydrophobicContact CB-CD2 4.33Å; V79-F86 HydrophobicContact CB-CG 4.3Å; V79-F86 HydrophobicContact CG1-CB 3.83Å; V79-F86 HydrophobicContact CG1-CG 4.22Å; V79-F86 HydrophobicContact CG2-CB 4.48Å; V79-F86 HydrophobicContact CG2-CD1 4.09Å; V79-F86 HydrophobicContact CG2-CD2 4.16Å; V79-F86 HydrophobicContact CG2-CE1 4.33Å; V79-F86 HydrophobicContact CG2-CE2 4.41Å; V79-F86 HydrophobicContact CG2-CG 3.98Å; V79-F86 HydrophobicContact CG2-CZ 4.49Å; V79-P89 HydrophobicContact CG1-CB 3.79Å; V79-P89 HydrophobicContact CG1-CG 4.01Å; V79-L92 HydrophobicContact CG1-CD1 4.17Å; V79-L92 HydrophobicContact CG2-CD1 3.96Å; V79-L178 HydrophobicContact CG1-CD1 4.21Å
80	K	95.6	Very high	94.7	Very high	129 Å²	129	54.4 Å²	54.4	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-64.4	-37.3	178.9	-173.4	177	177.4	179.2	0	113	W76 K77 L78 R83 L178	W76-K80 WeakPolarHBondContact O-CB 3.49Å; W76-K80 PolarHBondContact O-N 2.6Å; K77-K80 WeakPolarHBondContact O-CB 3.47Å; K77-K80 PolarHBondContact O-N 2.92Å; K77-K80 VanDerWaalsContact O-N 3.13Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 2.85Å; K80-R83 WeakPolarHBondContact O-CG 3.22Å; K80-L178 HydrophobicContact CB-CD2 4.07Å; K80-L178 HydrophobicContact CD-CD2 4.23Å; K80-L178 HydrophobicContact CG-CD2 4.45Å
81	E	95.9	Very high	95	Very high	106 Å²	106	54.1 Å²	54.1	50%	0.495	26%	0.255	S	S	.	.	H	α-helix	trans	-81	-27	-177.6	-70.5	175.2	163.9	0	0	112.5	K77 L78 V79	K77-E81 VanDerWaalsContact CE-CD 3.49Å; K77-E81 WeakPolarHBondContact CE-OE1 3.38Å; K77-E81 HydrophobicContact CG-CG 4.46Å; K77-E81 IonicContact NZ-OE1 3.61Å; K77-E81 WeakPolarHBondContact O-CG 3.22Å; K77-E81 PolarHBondContact O-N 3.33Å; L78-E81 PolarHBondContact O-N 2.96Å; V79-E81 PolarHBondContact O-N 3.37Å
82	N	95.4	Very high	95.2	Very high	42 Å²	42	52.9 Å²	52.9	23%	0.225	25%	0.25	C	C	.	.			trans	-109.7	51.2	-175.5	-67.1	-87.7	0	0	0	112.8	L78 V79 K84 V85 F86 F114	L78-N82 VanDerWaalsContact CD1-ND2 3.28Å; L78-N82 WeakPolarHBondContact CD1-ND2 3.27Å; L78-N82 WeakPolarHBondContact O-CB 3.21Å; L78-N82 PolarHBondContact O-N 3.3Å; L78-N82 PolarHBondContact O-ND2 2.73Å; V79-N82 PolarHBondContact O-N 3.43Å; N82-K84 PolarHBondContact O-N 3.28Å; N82-V85 HydrophobicContact CB-CB 4.49Å; N82-V85 PolarHBondContact O-N 2.87Å; N82-F86 HydrophobicContact CB-CD2 3.8Å; N82-F86 HydrophobicContact CB-CE2 3.87Å; N82-F86 WeakPolarHBondContact O-CD2 3.36Å; N82-F86 PolarHBondContact O-N 2.95Å; N82-F114 HydrophobicContact CB-CZ 4.32Å
83	R	92.8	Very high	95.4	Very high	174 Å²	174	52.3 Å²	52.3	66%	0.657	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.2	-176.1	-63.4	-173.6	177.2	-169.2	-5.7	115.2	K80 V85 F86 T87	K80-R83 WeakPolarHBondContact O-CG 3.22Å; R83-V85 VanDerWaalsContact C-N 3.29Å; R83-F86 CarbonylContact O-C 3.48Å; R83-T87 WeakPolarHBondContact O-CA 3.34Å; R83-T87 WeakPolarHBondContact O-CG2 3.37Å; R83-T87 PolarHBondContact O-N 2.62Å
84	K	91	Very high	95.6	Very high	201 Å²	201	50.1 Å²	50.1	87%	0.874	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.3	174.3	-65.7	-175.7	-179.6	-179.7	0	112.3	N82	N82-K84 PolarHBondContact O-N 3.28Å
85	V	92.7	Very high	95.6	Very high	28 Å²	28	51.1 Å²	51.1	17%	0.17	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-43.5	178.1	177.8	0	0	0	0	110.3	N82 R83 P107 F114	N82-V85 HydrophobicContact CB-CB 4.49Å; N82-V85 PolarHBondContact O-N 2.87Å; R83-V85 VanDerWaalsContact C-N 3.29Å; V85-P107 HydrophobicContact CB-CG 4.44Å; V85-P107 HydrophobicContact CG1-CG 4.03Å; V85-F114 HydrophobicContact CB-CE2 4.5Å; V85-F114 HydrophobicContact CG1-CD2 4.38Å; V85-F114 HydrophobicContact CG1-CE2 4.34Å; V85-F114 HydrophobicContact CG2-CD2 4.35Å; V85-F114 HydrophobicContact CG2-CE2 3.77Å; V85-F114 HydrophobicContact CG2-CZ 4.26Å
86	F	95.5	Very high	95.4	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.013	24%	0.238	C	C	.	.			trans	-106.4	69.6	-178.1	-50.7	-77.8	0	0	0	110.8	L78 V79 N82 R83 K88 L92 L106 F114 I135	L78-F86 HydrophobicContact CD2-CE2 4.4Å; L78-F86 HydrophobicContact CD2-CZ 4.35Å; L78-F86 HydrophobicContact CG-CE2 4.18Å; V79-F86 HydrophobicContact CB-CB 4.42Å; V79-F86 HydrophobicContact CB-CD2 4.33Å; V79-F86 HydrophobicContact CB-CG 4.3Å; V79-F86 HydrophobicContact CG1-CB 3.83Å; V79-F86 HydrophobicContact CG1-CG 4.22Å; V79-F86 HydrophobicContact CG2-CB 4.48Å; V79-F86 HydrophobicContact CG2-CD1 4.09Å; V79-F86 HydrophobicContact CG2-CD2 4.16Å; V79-F86 HydrophobicContact CG2-CE1 4.33Å; V79-F86 HydrophobicContact CG2-CE2 4.41Å; V79-F86 HydrophobicContact CG2-CG 3.98Å; V79-F86 HydrophobicContact CG2-CZ 4.49Å; N82-F86 HydrophobicContact CB-CD2 3.8Å; N82-F86 HydrophobicContact CB-CE2 3.87Å; N82-F86 WeakPolarHBondContact O-CD2 3.36Å; N82-F86 PolarHBondContact O-N 2.95Å; R83-F86 CarbonylContact O-C 3.48Å; F86-K88 VanDerWaalsContact C-N 3.32Å; F86-K88 PolarHBondContact O-N 3.21Å; F86-L92 HydrophobicContact CB-CD1 4.24Å; F86-L92 HydrophobicContact CD1-CD1 3.66Å; F86-L92 HydrophobicContact CE1-CD1 4.46Å; F86-L92 HydrophobicContact CG-CD1 4.29Å; F86-L106 HydrophobicContact CD1-CD1 4.3Å; F86-L106 HydrophobicContact CD1-CD2 3.85Å; F86-L106 HydrophobicContact CE1-CD1 3.83Å; F86-L106 HydrophobicContact CE1-CD2 4.2Å; F86-F114 AromaticContact CE2-CE1 3.97Å; F86-F114 HydrophobicContact CE2-CE1 3.97Å; F86-F114 HydrophobicContact CE2-CZ 4.38Å; F86-F114 HydrophobicContact CZ-CD1 4.26Å; F86-F114 HydrophobicContact CZ-CE1 4.03Å; F86-I135 HydrophobicContact CE1-CD1 4.18Å; F86-I135 HydrophobicContact CZ-CD1 3.8Å
87	T	93.6	Very high	95.3	Very high	105 Å²	105	55 Å²	55	64%	0.644	26%	0.256	S	S	*	.	S	Bend	trans	-67.8	-29.9	-175.5	53.3	0	0	0	0	113.3	R83	R83-T87 WeakPolarHBondContact O-CA 3.34Å; R83-T87 WeakPolarHBondContact O-CG2 3.37Å; R83-T87 PolarHBondContact O-N 2.62Å
88	K	94.8	Very high	95.3	Very high	94 Å²	94	53 Å²	53	41%	0.409	25%	0.253	S	S	.	.			trans	-122.3	80.9	177.7	-64.3	177.3	-175.7	166.2	0	111	F86 F90 S91 E104	F86-K88 VanDerWaalsContact C-N 3.32Å; F86-K88 PolarHBondContact O-N 3.21Å; K88-F90 PolarHBondContact O-N 2.62Å; K88-F90 VanDerWaalsContact O-N 3.14Å; K88-S91 WeakPolarHBondContact O-CB 3.42Å; K88-S91 PolarHBondContact O-N 2.95Å; K88-S91 PolarHBondContact O-OG 2.81Å; K88-E104 IonicContact NZ-OE1 2.84Å; K88-E104 PolarHBondContact NZ-OE1 3.28Å; K88-E104 IonicContact NZ-OE2 2.88Å; K88-E104 PolarHBondContact NZ-OE2 3.38Å
89	P	95.6	Very high	95.3	Very high	33 Å²	33	54.5 Å²	54.5	21%	0.214	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-56.8	-32.1	-176.4	-28.7	36.7	0	0	0	115.1	V79 S91 L92 L178	V79-P89 HydrophobicContact CG1-CB 3.79Å; V79-P89 HydrophobicContact CG1-CG 4.01Å; P89-S91 VanDerWaalsContact C-N 3.25Å; P89-S91 PolarHBondContact O-N 3.43Å; P89-L92 WeakPolarHBondContact O-CB 3.3Å; P89-L92 PolarHBondContact O-N 3.27Å; P89-L178 HydrophobicContact CB-CD1 3.85Å
90	F	95.5	Very high	95.4	Very high	58 Å²	58	54.5 Å²	54.5	25%	0.254	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-77.2	-9.4	179.7	-65	-81.3	0	0	0	113.9	K88 L92 V179 E406 F407 E410	K88-F90 PolarHBondContact O-N 2.62Å; K88-F90 VanDerWaalsContact O-N 3.14Å; F90-L92 PolarHBondContact O-N 3.42Å; F90-V179 HydrophobicContact CE1-CG2 4Å; F90-E406 HydrophobicContact CD1-CB 3.75Å; F90-E406 HydrophobicContact CE1-CB 4.18Å; F90-E406 HydrophobicContact CG-CB 4.22Å; F90-F407 HydrophobicContact CB-CD1 4.45Å; F90-F407 HydrophobicContact CB-CE1 4.4Å; F90-F407 HydrophobicContact CD1-CD1 4.37Å; F90-F407 HydrophobicContact CD1-CD2 4.07Å; F90-F407 AromaticContact CD1-CE1 3.94Å; F90-F407 HydrophobicContact CD1-CE1 3.94Å; F90-F407 AromaticContact CD1-CE2 3.59Å; F90-F407 HydrophobicContact CD1-CE2 3.59Å; F90-F407 HydrophobicContact CD1-CG 4.43Å; F90-F407 AromaticContact CD1-CZ 3.51Å; F90-F407 HydrophobicContact CD1-CZ 3.51Å; F90-F407 AromaticContact CE1-CE2 3.9Å; F90-F407 HydrophobicContact CE1-CE2 3.9Å; F90-F407 AromaticContact CE1-CZ 3.95Å; F90-F407 HydrophobicContact CE1-CZ 3.95Å; F90-F407 HydrophobicContact CG-CZ 4.46Å; F90-F407 WeakPolarHBondContact O-CD1 3.25Å; F90-E410 HydrophobicContact CB-CG 3.93Å
91	S	96.6	Very high	95.5	Very high	8 Å²	8	48.3 Å²	48.3	6%	0.056	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-85	8.5	170.2	84.1	0	0	0	0	112.6	K88 P89 S102 K103 F411	K88-S91 WeakPolarHBondContact O-CB 3.42Å; K88-S91 PolarHBondContact O-N 2.95Å; K88-S91 PolarHBondContact O-OG 2.81Å; P89-S91 VanDerWaalsContact C-N 3.25Å; P89-S91 PolarHBondContact O-N 3.43Å; S91-S102 CarbonylContact O-C 3.59Å; S91-S102 WeakPolarHBondContact O-CA 3.36Å; S91-K103 PolarHBondContact O-N 2.71Å; S91-F411 VanDerWaalsContact C-CE2 3.4Å; S91-F411 WeakPolarHBondContact O-CE2 3.08Å; S91-F411 VanDerWaalsContact O-CZ 3.22Å; S91-F411 WeakPolarHBondContact O-CZ 3.48Å
92	L	98.2	Very high	95.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.8	-179	-53.2	176.9	0	0	0	110.7	F75 W76 V79 F86 P89 F90 L100 F101 S102 L106 F407	F75-L92 HydrophobicContact CZ-CD1 4.45Å; W76-L92 HydrophobicContact CH2-CB 4.12Å; W76-L92 HydrophobicContact CZ3-CB 4.46Å; V79-L92 HydrophobicContact CG1-CD1 4.17Å; V79-L92 HydrophobicContact CG2-CD1 3.96Å; F86-L92 HydrophobicContact CB-CD1 4.24Å; F86-L92 HydrophobicContact CD1-CD1 3.66Å; F86-L92 HydrophobicContact CE1-CD1 4.46Å; F86-L92 HydrophobicContact CG-CD1 4.29Å; P89-L92 WeakPolarHBondContact O-CB 3.3Å; P89-L92 PolarHBondContact O-N 3.27Å; F90-L92 PolarHBondContact O-N 3.42Å; L92-L100 HydrophobicContact CB-CD1 4.05Å; L92-L100 HydrophobicContact CD2-CD1 4.45Å; L92-F101 CarbonylContact C-O 3.5Å; L92-F101 WeakPolarHBondContact CA-O 3.4Å; L92-S102 WeakPolarHBondContact CD2-OG 3.23Å; L92-L106 HydrophobicContact CD2-CD2 4.07Å; L92-F407 WeakPolarHBondContact O-CD1 3.34Å; L92-F407 WeakPolarHBondContact O-CE1 3.42Å
93	A	97.8	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	107.9	174	0	0	0	0	0	109.9	L100 F101 V168 V169 Q172 F411	A93-L100 WeakPolarHBondContact O-CA 3.39Å; A93-F101 HydrophobicContact CB-CB 4.49Å; A93-F101 PolarHBondContact N-O 3.4Å; A93-F101 PolarHBondContact O-N 2.87Å; A93-V168 HydrophobicContact CB-CG1 3.96Å; A93-V169 HydrophobicContact CB-CB 4.42Å; A93-V169 HydrophobicContact CB-CG2 3.71Å; A93-Q172 HydrophobicContact CB-CG 3.8Å; A93-F411 HydrophobicContact CB-CE2 4.17Å; A93-F411 HydrophobicContact CB-CZ 3.9Å
94	Y	97.8	Very high	95.6	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.8	-179.7	179	-130.5	0	0	0	111.3	V57 I59 R72 F75 G96 E97 L99 L100 Q172	V57-Y94 HydrophobicContact CB-CD2 4.49Å; V57-Y94 HydrophobicContact CB-CE2 3.81Å; V57-Y94 HydrophobicContact CG1-CE2 4.16Å; V57-Y94 HydrophobicContact CG2-CD2 4.06Å; V57-Y94 HydrophobicContact CG2-CE2 3.88Å; I59-Y94 HydrophobicContact CD1-CE1 4.36Å; R72-Y94 HydrophobicContact CG-CD1 4.49Å; F75-Y94 HydrophobicContact CB-CD1 3.59Å; F75-Y94 HydrophobicContact CB-CE1 3.58Å; F75-Y94 HydrophobicContact CB-CG 4.45Å; F75-Y94 AromaticContact CD1-CD1 3.49Å; F75-Y94 HydrophobicContact CD1-CD1 3.49Å; F75-Y94 VanDerWaalsContact CD1-CD1 3.49Å; F75-Y94 HydrophobicContact CD1-CE1 4.36Å; F75-Y94 AromaticContact CD1-CG 3.74Å; F75-Y94 HydrophobicContact CD1-CG 3.74Å; F75-Y94 HydrophobicContact CD2-CD1 4.25Å; F75-Y94 HydrophobicContact CD2-CG 4.33Å; F75-Y94 HydrophobicContact CE1-CD1 4.29Å; F75-Y94 HydrophobicContact CE1-CG 4.08Å; F75-Y94 AromaticContact CG-CD1 3.48Å; F75-Y94 HydrophobicContact CG-CD1 3.48Å; F75-Y94 VanDerWaalsContact CG-CD1 3.48Å; F75-Y94 AromaticContact CG-CE1 3.9Å; F75-Y94 HydrophobicContact CG-CE1 3.9Å; F75-Y94 AromaticContact CG-CG 3.88Å; F75-Y94 HydrophobicContact CG-CG 3.88Å; Y94-G96 VanDerWaalsContact CZ-C 3.47Å; Y94-G96 PolarHBondContact O-N 3.07Å; Y94-E97 PolarHBondContact OH-N 3.49Å; Y94-E97 PolarHBondContact OH-O 2.7Å; Y94-L99 VanDerWaalsContact CD2-O 3.25Å; Y94-L99 WeakPolarHBondContact CD2-O 3.41Å; Y94-L100 HydrophobicContact CD2-CB 4.25Å; Y94-Q172 PolarHBondContact O-NE2 2.96Å
95	D	95.1	Very high	95.7	Very high	20 Å²	20	35.3 Å²	35.3	11%	0.107	19%	0.189	C	C	.	.			trans	-72.5	-15.3	-179.1	78.7	-23.6	0	0	0	113	R68 R72 E97 A98 L99 V168	R68-D95 PolarHBondContact NE-O 3.3Å; R68-D95 PolarHBondContact NH2-O 3.33Å; R72-D95 PolarHBondContact NH2-O 3.02Å; D95-E97 PolarHBondContact OD1-N 2.86Å; D95-A98 PolarHBondContact OD1-N 3.2Å; D95-L99 HydrophobicContact CB-CB 4.44Å; D95-L99 PolarHBondContact N-O 3.11Å; D95-L99 PolarHBondContact OD1-N 2.98Å; D95-V168 HydrophobicContact CB-CG1 4.12Å; D95-V168 HydrophobicContact CB-CG2 3.74Å
96	G	93.7	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	91.1	1	-176.7	0	0	0	0	0	114.4	R68 K71 R72 Y94	R68-G96 WeakPolarHBondContact CA-O 3.29Å; R68-G96 WeakPolarHBondContact CG-O 3.43Å; K71-G96 VanDerWaalsContact CB-O 3.26Å; K71-G96 WeakPolarHBondContact CB-O 3.35Å; R72-G96 VanDerWaalsContact CG-CA 3.44Å; Y94-G96 VanDerWaalsContact CZ-C 3.47Å; Y94-G96 PolarHBondContact O-N 3.07Å
97	E	94.2	Very high	95.8	Very high	84 Å²	84	39.2 Å²	39.2	39%	0.393	22%	0.215	S	C	.	.	S	Bend	trans	-126.8	-59.6	-176.7	-164.6	63.3	-138.7	0	0	112.3	K71 Y94 D95	K71-E97 PolarHBondContact NZ-O 2.88Å; K71-E97 IonicContact NZ-OE1 2.7Å; K71-E97 PolarHBondContact NZ-OE1 3.43Å; Y94-E97 PolarHBondContact OH-N 3.49Å; Y94-E97 PolarHBondContact OH-O 2.7Å; D95-E97 PolarHBondContact OD1-N 2.86Å
98	A	95.6	Very high	95.8	Very high	27 Å²	27	35.1 Å²	35.1	22%	0.223	19%	0.189	C	C	.	.	S	Bend	trans	-154.3	-17.7	-171.4	0	0	0	0	0	115.4	H56 V57 D95	H56-A98 WeakPolarHBondContact CA-O 3.45Å; H56-A98 PolarHBondContact ND1-O 3.42Å; V57-A98 PolarHBondContact N-O 2.83Å; V57-A98 WeakPolarHBondContact O-CA 3.49Å; D95-A98 PolarHBondContact OD1-N 3.2Å
99	L	97.2	Very high	95.4	Very high	30 Å²	30	38.9 Å²	38.9	16%	0.157	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.8	-173.2	-66.2	176.2	0	0	0	111.1	Q54 Y94 D95 F101	Q54-L99 HydrophobicContact CG-CD2 4.46Å; Y94-L99 VanDerWaalsContact CD2-O 3.25Å; Y94-L99 WeakPolarHBondContact CD2-O 3.41Å; D95-L99 HydrophobicContact CB-CB 4.44Å; D95-L99 PolarHBondContact N-O 3.11Å; D95-L99 PolarHBondContact OD1-N 2.98Å; L99-F101 HydrophobicContact CB-CE2 4.37Å; L99-F101 HydrophobicContact CB-CZ 4.37Å; L99-F101 HydrophobicContact CD1-CZ 4.48Å
100	L	98.3	Very high	94.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.9	172.2	166.1	66.2	0	0	0	109.3	Y55 V57 F75 L92 A93 Y94 L106 I135	Y55-L100 HydrophobicContact CD2-CD2 4.44Å; Y55-L100 HydrophobicContact CD2-CG 4.42Å; Y55-L100 HydrophobicContact CG-CD2 4.45Å; Y55-L100 PolarHBondContact N-O 3.49Å; Y55-L100 PolarHBondContact O-N 2.9Å; V57-L100 HydrophobicContact CG2-CB 3.42Å; V57-L100 VanDerWaalsContact CG2-CB 3.42Å; V57-L100 HydrophobicContact CG2-CD2 4.12Å; V57-L100 HydrophobicContact CG2-CG 4.41Å; F75-L100 HydrophobicContact CE1-CD1 4.28Å; F75-L100 HydrophobicContact CE2-CD1 4.22Å; F75-L100 HydrophobicContact CE2-CD2 3.81Å; F75-L100 HydrophobicContact CZ-CD1 3.56Å; F75-L100 HydrophobicContact CZ-CD2 3.91Å; F75-L100 HydrophobicContact CZ-CG 4.31Å; L92-L100 HydrophobicContact CB-CD1 4.05Å; L92-L100 HydrophobicContact CD2-CD1 4.45Å; A93-L100 WeakPolarHBondContact O-CA 3.39Å; Y94-L100 HydrophobicContact CD2-CB 4.25Å; L100-L106 HydrophobicContact CD2-CD1 4.18Å; L100-I135 HydrophobicContact CD2-CD1 4.38Å; L100-I135 HydrophobicContact CD2-CG2 4.1Å
101	F	98.1	Very high	94.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.2	170.1	-56.4	-70.8	0	0	0	109.8	V52 V53 Q54 L92 A93 L99 V141 V165 V168 F411	V52-F101 HydrophobicContact CG2-CB 4.42Å; V52-F101 HydrophobicContact CG2-CD1 4.13Å; V53-F101 WeakPolarHBondContact O-CA 3.32Å; Q54-F101 HydrophobicContact CB-CD1 4.08Å; Q54-F101 HydrophobicContact CB-CE1 4.03Å; Q54-F101 HydrophobicContact CG-CD1 3.98Å; Q54-F101 HydrophobicContact CG-CE1 3.56Å; Q54-F101 HydrophobicContact CG-CZ 4.47Å; L92-F101 CarbonylContact C-O 3.5Å; L92-F101 WeakPolarHBondContact CA-O 3.4Å; A93-F101 HydrophobicContact CB-CB 4.49Å; A93-F101 PolarHBondContact N-O 3.4Å; A93-F101 PolarHBondContact O-N 2.87Å; L99-F101 HydrophobicContact CB-CE2 4.37Å; L99-F101 HydrophobicContact CB-CZ 4.37Å; L99-F101 HydrophobicContact CD1-CZ 4.48Å; F101-V141 HydrophobicContact CE1-CG2 4.4Å; F101-V165 HydrophobicContact CB-CG1 4.44Å; F101-V165 HydrophobicContact CD1-CG2 3.72Å; F101-V165 HydrophobicContact CD2-CB 4.46Å; F101-V165 HydrophobicContact CD2-CG1 4.33Å; F101-V165 HydrophobicContact CD2-CG2 4.25Å; F101-V165 HydrophobicContact CE1-CG2 3.5Å; F101-V165 HydrophobicContact CE2-CB 4.44Å; F101-V165 HydrophobicContact CE2-CG2 4.07Å; F101-V165 HydrophobicContact CG-CG1 4.18Å; F101-V165 HydrophobicContact CG-CG2 4.08Å; F101-V165 HydrophobicContact CZ-CG2 3.7Å; F101-V168 HydrophobicContact CD2-CB 4.13Å; F101-V168 HydrophobicContact CD2-CG1 4.04Å; F101-V168 HydrophobicContact CE2-CB 4.09Å; F101-V168 HydrophobicContact CE2-CG1 4.3Å; F101-V168 HydrophobicContact CE2-CG2 4.08Å; F101-F411 HydrophobicContact CB-CE1 4.4Å
102	S	97.7	Very high	94.1	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.7	173.1	-172.5	0	0	0	0	110.1	V52 V53 S91 L92 E104	V52-S102 CarbonylContact C-O 3.52Å; V52-S102 WeakPolarHBondContact CA-O 3.49Å; V53-S102 PolarHBondContact N-O 3.02Å; V53-S102 PolarHBondContact O-N 3.44Å; S91-S102 CarbonylContact O-C 3.59Å; S91-S102 WeakPolarHBondContact O-CA 3.36Å; L92-S102 WeakPolarHBondContact CD2-OG 3.23Å; S102-E104 VanDerWaalsContact CB-O 3.27Å; S102-E104 WeakPolarHBondContact CB-O 3.47Å; S102-E104 PolarHBondContact OG-O 3.23Å
103	K	95.3	Very high	93.8	Very high	58 Å²	58	51 Å²	51	25%	0.252	28%	0.276	S	S	.	.	S	Bend	trans	-66.3	-38.5	175.2	178.6	57.3	-174.7	158.2	0	112.3	S91 F411	S91-K103 PolarHBondContact O-N 2.71Å; K103-F411 HydrophobicContact CB-CE1 4.42Å
104	E	92.6	Very high	93.7	Very high	92 Å²	92	52.8 Å²	52.8	43%	0.43	28%	0.284	S	S	.	.	S	Bend	trans	-116.7	148.7	177.3	-69.3	172.6	-176	0	0	109.8	K88 S102 L106	K88-E104 IonicContact NZ-OE1 2.84Å; K88-E104 PolarHBondContact NZ-OE1 3.28Å; K88-E104 IonicContact NZ-OE2 2.88Å; K88-E104 PolarHBondContact NZ-OE2 3.38Å; S102-E104 VanDerWaalsContact CB-O 3.27Å; S102-E104 WeakPolarHBondContact CB-O 3.47Å; S102-E104 PolarHBondContact OG-O 3.23Å; E104-L106 PolarHBondContact O-N 2.96Å
105	P	94.5	Very high	93.6	Very high	98 Å²	98	59.2 Å²	59.2	64%	0.636	31%	0.314	S	S	*	.			trans	-58.4	128.4	175.6	-20	30.1	0	0	0	111.7	V53	V53-P105 HydrophobicContact CG2-CB 4.31Å; V53-P105 HydrophobicContact CG2-CG 3.97Å
106	L	95.9	Very high	93.5	Very high	16 Å²	16	59.6 Å²	59.6	8%	0.084	32%	0.319	C	S	.	.			trans	-66.3	154	166.7	-64.2	176	0	0	0	110.1	Y55 F86 L92 L100 E104 I108	Y55-L106 HydrophobicContact CD2-CD1 4.34Å; Y55-L106 HydrophobicContact CE1-CB 4.26Å; Y55-L106 HydrophobicContact CE1-CD1 4.29Å; Y55-L106 HydrophobicContact CE2-CD1 4.07Å; Y55-L106 HydrophobicContact CE2-CG 4.15Å; Y55-L106 PolarHBondContact OH-N 3.49Å; F86-L106 HydrophobicContact CD1-CD1 4.3Å; F86-L106 HydrophobicContact CD1-CD2 3.85Å; F86-L106 HydrophobicContact CE1-CD1 3.83Å; F86-L106 HydrophobicContact CE1-CD2 4.2Å; L92-L106 HydrophobicContact CD2-CD2 4.07Å; L100-L106 HydrophobicContact CD2-CD1 4.18Å; E104-L106 PolarHBondContact O-N 2.96Å; L106-I108 HydrophobicContact CB-CD1 4.08Å; L106-I108 HydrophobicContact CB-CG1 4.03Å; L106-I108 HydrophobicContact CD1-CD1 4.22Å; L106-I108 PolarHBondContact O-N 3.47Å
107	P	94.5	Very high	93.5	Very high	98 Å²	98	64.8 Å²	64.8	64%	0.636	34%	0.343	S	S	*	.	S	Bend	trans	-74.1	54.8	179.8	32.9	-37.2	0	0	0	112.3	V85	V85-P107 HydrophobicContact CB-CG 4.44Å; V85-P107 HydrophobicContact CG1-CG 4.03Å
108	I	91.7	Very high	93.4	Very high	19 Å²	19	60.8 Å²	60.8	10%	0.097	32%	0.324	C	S	.	.			trans	-116.3	119.1	178.5	-51.9	178.5	0	0	0	106.5	Y55 L106 A112 F114 I135	Y55-I108 HydrophobicContact CD1-CD1 4.29Å; Y55-I108 HydrophobicContact CE1-CD1 4.07Å; L106-I108 HydrophobicContact CB-CD1 4.08Å; L106-I108 HydrophobicContact CB-CG1 4.03Å; L106-I108 HydrophobicContact CD1-CD1 4.22Å; L106-I108 PolarHBondContact O-N 3.47Å; I108-A112 HydrophobicContact CG2-CB 4.46Å; I108-A112 WeakPolarHBondContact CG2-O 3.05Å; I108-F114 HydrophobicContact CD1-CB 3.54Å; I108-F114 HydrophobicContact CG1-CB 3.88Å; I108-I135 HydrophobicContact CD1-CB 4.25Å; I108-I135 HydrophobicContact CD1-CG2 3.91Å
109	K	86.9	Confident	93.3	Very high	172 Å²	172	65.4 Å²	65.4	75%	0.748	34%	0.339	S	S	*	.			trans	-61.4	154.5	178.8	-66	-178.8	-179.8	179.5	0	110.9	N111 A112	K109-N111 PolarHBondContact O-N 2.92Å; K109-A112 HydrophobicContact CB-CB 3.92Å; K109-A112 WeakPolarHBondContact O-CB 3.42Å; K109-A112 PolarHBondContact O-N 2.87Å; K109-A112 VanDerWaalsContact O-N 3.07Å
110	E	84.2	Confident	92.8	Very high	119 Å²	119	64.9 Å²	64.9	56%	0.556	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	136.6	171.7	-154.4	67.8	-155	0	0	110	A112 K137	E110-A112 PolarHBondContact O-N 3.43Å; E110-A112 VanDerWaalsContact O-N 3.07Å; E110-K137 IonicContact OE1-NZ 3.43Å; E110-K137 WeakPolarHBondContact OE2-CD 3.41Å; E110-K137 IonicContact OE2-NZ 2.75Å; E110-K137 PolarHBondContact OE2-NZ 2.84Å
111	N	84.4	Confident	92.1	Very high	162 Å²	162	69 Å²	69	87%	0.866	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	4.8	-175.4	-53.6	-39.9	0	0	0	116.6	K109	K109-N111 PolarHBondContact O-N 2.92Å
112	A	92.4	Very high	91.2	Very high	37 Å²	37	69.1 Å²	69.1	31%	0.306	36%	0.357	S	S	.	.			trans	-94	161.8	173.1	0	0	0	0	0	111.7	I108 K109 E110	I108-A112 HydrophobicContact CG2-CB 4.46Å; I108-A112 WeakPolarHBondContact CG2-O 3.05Å; K109-A112 HydrophobicContact CB-CB 3.92Å; K109-A112 WeakPolarHBondContact O-CB 3.42Å; K109-A112 PolarHBondContact O-N 2.87Å; K109-A112 VanDerWaalsContact O-N 3.07Å; E110-A112 PolarHBondContact O-N 3.43Å; E110-A112 VanDerWaalsContact O-N 3.07Å
113	A	92.6	Very high	90.1	Very high	36 Å²	36	72.7 Å²	72.7	30%	0.298	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.7	171.6	0	0	0	0	0	109.4	E115 I135 K136	A113-E115 HydrophobicContact CB-CG 3.93Å; A113-I135 WeakPolarHBondContact CA-O 3.33Å; A113-K136 HydrophobicContact CB-CD 4.08Å; A113-K136 HydrophobicContact CB-CG 3.54Å
114	F	95.3	Very high	88.9	Confident	38 Å²	38	74.3 Å²	74.3	17%	0.167	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	116.7	158.3	174.6	-101.1	0	0	0	108	L78 N82 V85 F86 I108 S134 I135	L78-F114 HydrophobicContact CD1-CE1 4.14Å; L78-F114 HydrophobicContact CD2-CE1 4.1Å; L78-F114 HydrophobicContact CG-CE1 4.34Å; N82-F114 HydrophobicContact CB-CZ 4.32Å; V85-F114 HydrophobicContact CB-CE2 4.5Å; V85-F114 HydrophobicContact CG1-CD2 4.38Å; V85-F114 HydrophobicContact CG1-CE2 4.34Å; V85-F114 HydrophobicContact CG2-CD2 4.35Å; V85-F114 HydrophobicContact CG2-CE2 3.77Å; V85-F114 HydrophobicContact CG2-CZ 4.26Å; F86-F114 AromaticContact CE2-CE1 3.97Å; F86-F114 HydrophobicContact CE2-CE1 3.97Å; F86-F114 HydrophobicContact CE2-CZ 4.38Å; F86-F114 HydrophobicContact CZ-CD1 4.26Å; F86-F114 HydrophobicContact CZ-CE1 4.03Å; I108-F114 HydrophobicContact CD1-CB 3.54Å; I108-F114 HydrophobicContact CG1-CB 3.88Å; F114-S134 CarbonylContact O-C 3.5Å; F114-S134 WeakPolarHBondContact O-CA 3.39Å; F114-I135 HydrophobicContact CB-CB 4.4Å; F114-I135 HydrophobicContact CD1-CD1 4.26Å; F114-I135 PolarHBondContact N-O 3.05Å; F114-I135 PolarHBondContact O-N 2.85Å
115	E	94.9	Very high	88	Confident	136 Å²	136	70.8 Å²	70.8	64%	0.636	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.8	179	-64.4	-174.2	172.8	0	0	109.8	A113 V133	A113-E115 HydrophobicContact CB-CG 3.93Å; E115-V133 WeakPolarHBondContact CA-O 3.44Å
116	S	94.1	Very high	86.8	Confident	29 Å²	29	69.6 Å²	69.6	20%	0.203	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	154.4	178.4	-171.1	0	0	0	0	109.8	L78 V133	L78-S116 VanDerWaalsContact CD1-CB 3.43Å; L78-S116 WeakPolarHBondContact CD1-OG 3.32Å; S116-V133 PolarHBondContact N-O 3.34Å; S116-V133 PolarHBondContact O-N 2.88Å
117	E	92.8	Very high	86	Confident	109 Å²	109	77.5 Å²	77.5	51%	0.509	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.7	175.4	-68.8	-172.6	164.5	0	0	109.5	V131 K132	E117-V131 WeakPolarHBondContact CA-O 3.32Å; E117-K132 HydrophobicContact CG-CG 3.96Å; E117-K132 WeakPolarHBondContact OE1-CE 3.3Å
118	V	93.2	Very high	85.6	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118	178	-176	0	0	0	0	108.4	I74 K77 L78 I120 V131 V133	I74-V118 HydrophobicContact CG2-CB 4.19Å; I74-V118 HydrophobicContact CG2-CG1 4.46Å; I74-V118 HydrophobicContact CG2-CG2 4.29Å; K77-V118 HydrophobicContact CB-CG1 4.19Å; K77-V118 HydrophobicContact CD-CG1 3.72Å; K77-V118 HydrophobicContact CG-CG1 3.83Å; L78-V118 HydrophobicContact CB-CG2 3.75Å; L78-V118 HydrophobicContact CD1-CG2 3.62Å; L78-V118 HydrophobicContact CG-CG2 4.26Å; V118-I120 PolarHBondContact O-N 3.41Å; V118-V131 PolarHBondContact N-O 2.92Å; V118-V131 PolarHBondContact O-N 3.24Å; V118-V133 HydrophobicContact CG2-CG2 4.03Å
119	K	91.6	Very high	85.4	Confident	123 Å²	123	75.8 Å²	75.8	54%	0.535	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	112.8	171.7	-171.8	170.7	-175.5	168.3	0	109.5	K77 P128 I129 E130	K77-K119 WeakPolarHBondContact CE-O 3.44Å; K77-K119 PolarHBondContact NZ-O 3.12Å; K119-P128 HydrophobicContact CG-CB 4.07Å; K119-I129 CarbonylContact C-O 3.57Å; K119-I129 WeakPolarHBondContact CA-O 3.37Å; K119-E130 HydrophobicContact CB-CG 4.3Å; K119-E130 HydrophobicContact CG-CG 4.43Å
120	I	88.3	Confident	85.6	Confident	19 Å²	19	72.6 Å²	72.6	10%	0.097	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.9	-177.2	-166.5	164.8	0	0	0	112.5	I74 K77 V118 V122 P128 I129 V131	I74-I120 HydrophobicContact CD1-CG2 4.29Å; I74-I120 HydrophobicContact CG1-CD1 3.74Å; I74-I120 HydrophobicContact CG1-CG2 3.82Å; K77-I120 HydrophobicContact CD-CD1 4.38Å; K77-I120 HydrophobicContact CD-CG1 4.45Å; V118-I120 PolarHBondContact O-N 3.41Å; I120-V122 HydrophobicContact CG2-CG1 3.87Å; I120-V122 PolarHBondContact O-N 3.45Å; I120-P128 WeakPolarHBondContact O-CA 3.46Å; I120-I129 HydrophobicContact CG2-CG1 4.32Å; I120-I129 PolarHBondContact N-O 2.9Å; I120-I129 PolarHBondContact O-N 3.35Å; I120-V131 HydrophobicContact CG2-CG2 4.02Å
121	Q	83.3	Confident	86.1	Confident	86 Å²	86	67 Å²	67	40%	0.402	34%	0.339	S	S	.	.			trans	-90.9	94.6	165.8	-172	65.3	50.3	0	0	108.8	S125 R127	Q121-S125 VanDerWaalsContact NE2-C 3.32Å; Q121-S125 PolarHBondContact NE2-O 2.89Å; Q121-R127 PolarHBondContact NE2-O 2.91Å; Q121-R127 PolarHBondContact OE1-O 3.13Å
122	V	79.6	Confident	86.5	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.024	33%	0.326	C	S	.	.			trans	-74.7	149.5	170.4	-64.1	0	0	0	0	110.1	V64 L66 D70 I74 I120 R124 S125 I129	V64-V122 HydrophobicContact CG1-CG2 4.42Å; L66-V122 HydrophobicContact CD2-CG1 4.05Å; D70-V122 HydrophobicContact CB-CG1 4.31Å; I74-V122 HydrophobicContact CD1-CG1 4.49Å; I120-V122 HydrophobicContact CG2-CG1 3.87Å; I120-V122 PolarHBondContact O-N 3.45Å; V122-R124 PolarHBondContact O-N 3.49Å; V122-R124 VanDerWaalsContact O-N 3.08Å; V122-S125 PolarHBondContact O-N 3.1Å; V122-S125 VanDerWaalsContact O-O 3.14Å; V122-I129 HydrophobicContact CG1-CD1 4.18Å; V122-I129 HydrophobicContact CG2-CD1 3.67Å; V122-I129 HydrophobicContact CG2-CG1 4.18Å
123	L	73.1	Confident	86.8	Confident	75 Å²	75	64.2 Å²	64.2	39%	0.393	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.7	179.2	-68.3	168.1	0	0	0	111.7	S125 G295 A296 Q297	L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 2.96Å; L123-G295 VanDerWaalsContact CD2-O 3.3Å; L123-G295 WeakPolarHBondContact CD2-O 3.41Å; L123-A296 CarbonylContact O-C 3.6Å; L123-A296 VanDerWaalsContact O-CA 3.28Å; L123-A296 WeakPolarHBondContact O-CA 3.4Å; L123-Q297 HydrophobicContact CB-CB 4.27Å; L123-Q297 HydrophobicContact CB-CG 4.04Å; L123-Q297 HydrophobicContact CD2-CG 4.31Å; L123-Q297 PolarHBondContact O-N 2.8Å
124	R	71.6	Confident	87	Confident	93 Å²	93	63.4 Å²	63.4	35%	0.351	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4	-178	-70	177.3	178.7	154.4	3	115.3	V64 K65 T67 V122	V64-R124 HydrophobicContact CG1-CB 3.65Å; K65-R124 PolarHBondContact O-NH1 2.95Å; T67-R124 VanDerWaalsContact CG2-NH1 3.28Å; V122-R124 PolarHBondContact O-N 3.49Å; V122-R124 VanDerWaalsContact O-N 3.08Å
125	S	72.4	Confident	87.1	Confident	18 Å²	18	61.6 Å²	61.6	13%	0.126	30%	0.296	C	S	.	.			trans	-113.6	148.7	177.2	-174.4	0	0	0	0	109.3	Q121 V122 L123 R127	Q121-S125 VanDerWaalsContact NE2-C 3.32Å; Q121-S125 PolarHBondContact NE2-O 2.89Å; V122-S125 PolarHBondContact O-N 3.1Å; V122-S125 VanDerWaalsContact O-O 3.14Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 2.96Å; S125-R127 WeakPolarHBondContact CB-O 3.38Å; S125-R127 PolarHBondContact OG-N 3.1Å; S125-R127 PolarHBondContact OG-O 3.41Å
126	S	69.8	Low	87.2	Confident	72 Å²	72	60.2 Å²	60.2	50%	0.503	29%	0.288	S	S	.	.	S	Bend	trans	-90.3	-14.7	171.3	64.3	0	0	0	0	113
127	R	80	Confident	87.4	Confident	182 Å²	182	62.5 Å²	62.5	69%	0.687	30%	0.295	S	S	*	.	S	Bend	trans	-124.6	154.6	178.1	-66.2	-178.4	179	-176.9	-3.5	110.2	Q121 S125 I129	Q121-R127 PolarHBondContact NE2-O 2.91Å; Q121-R127 PolarHBondContact OE1-O 3.13Å; S125-R127 WeakPolarHBondContact CB-O 3.38Å; S125-R127 PolarHBondContact OG-N 3.1Å; S125-R127 PolarHBondContact OG-O 3.41Å; R127-I129 PolarHBondContact O-N 2.8Å
128	P	84.7	Confident	87.4	Confident	73 Å²	73	60.2 Å²	60.2	47%	0.474	29%	0.29	S	S	.	.			trans	-60.3	138.6	175.3	-24.4	34.5	0	0	0	109.6	K119 I120	K119-P128 HydrophobicContact CG-CB 4.07Å; I120-P128 WeakPolarHBondContact O-CA 3.46Å
129	I	88	Confident	87.4	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.4	173.3	59.2	169.5	0	0	0	108.8	K63 V64 K119 I120 V122 R127 V131	K63-I129 HydrophobicContact CD-CG2 4.27Å; V64-I129 HydrophobicContact CB-CD1 4.36Å; V64-I129 HydrophobicContact CG2-CD1 4.37Å; K119-I129 CarbonylContact C-O 3.57Å; K119-I129 WeakPolarHBondContact CA-O 3.37Å; I120-I129 HydrophobicContact CG2-CG1 4.32Å; I120-I129 PolarHBondContact N-O 2.9Å; I120-I129 PolarHBondContact O-N 3.35Å; V122-I129 HydrophobicContact CG1-CD1 4.18Å; V122-I129 HydrophobicContact CG2-CD1 3.67Å; V122-I129 HydrophobicContact CG2-CG1 4.18Å; R127-I129 PolarHBondContact O-N 2.8Å; I129-V131 HydrophobicContact CD1-CG2 3.74Å; I129-V131 HydrophobicContact CG1-CG2 3.92Å
130	E	90.9	Very high	87.6	Confident	106 Å²	106	58.8 Å²	58.8	50%	0.495	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.7	165.4	-79	154	-167.7	0	0	108	K119	K119-E130 HydrophobicContact CB-CG 4.3Å; K119-E130 HydrophobicContact CG-CG 4.43Å
131	V	94.2	Very high	87.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.1	178.6	-175.3	0	0	0	0	107.4	I59 D60 L66 I74 E117 V118 I120 I129	I59-V131 HydrophobicContact CG2-CG1 3.64Å; D60-V131 VanDerWaalsContact O-CG1 3.31Å; D60-V131 WeakPolarHBondContact O-CG1 3.32Å; L66-V131 HydrophobicContact CD1-CG1 4.05Å; I74-V131 HydrophobicContact CD1-CB 4.41Å; I74-V131 HydrophobicContact CD1-CG1 4.15Å; I74-V131 HydrophobicContact CD1-CG2 4.13Å; I74-V131 HydrophobicContact CG2-CG1 4.46Å; E117-V131 WeakPolarHBondContact CA-O 3.32Å; V118-V131 PolarHBondContact N-O 2.92Å; V118-V131 PolarHBondContact O-N 3.24Å; I120-V131 HydrophobicContact CG2-CG2 4.02Å; I129-V131 HydrophobicContact CD1-CG2 3.74Å; I129-V131 HydrophobicContact CG1-CG2 3.92Å
132	K	94.3	Very high	88.2	Confident	140 Å²	140	59.4 Å²	59.4	61%	0.609	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.3	174.3	-71	178.4	177.1	-177.2	0	108.9	E117	E117-K132 HydrophobicContact CG-CG 3.96Å; E117-K132 WeakPolarHBondContact OE1-CE 3.3Å
133	V	97.5	Very high	88.8	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.9	174.6	-175.5	0	0	0	0	108.3	V57 D58 I59 I74 L78 E115 S116 V118 I135	V57-V133 HydrophobicContact CG1-CG1 4.11Å; D58-V133 WeakPolarHBondContact O-CA 3.39Å; I59-V133 HydrophobicContact CD1-CG1 4.42Å; I59-V133 HydrophobicContact CG1-CG1 3.93Å; I59-V133 HydrophobicContact CG1-CG2 4.17Å; I59-V133 HydrophobicContact CG2-CG2 4.36Å; I74-V133 HydrophobicContact CG2-CG2 3.58Å; L78-V133 HydrophobicContact CD2-CB 4.01Å; L78-V133 HydrophobicContact CD2-CG1 3.62Å; L78-V133 HydrophobicContact CD2-CG2 4.49Å; E115-V133 WeakPolarHBondContact CA-O 3.44Å; S116-V133 PolarHBondContact N-O 3.34Å; S116-V133 PolarHBondContact O-N 2.88Å; V118-V133 HydrophobicContact CG2-CG2 4.03Å; V133-I135 HydrophobicContact CG1-CG1 4.25Å
134	S	97.3	Very high	89.5	Confident	18 Å²	18	58.1 Å²	58.1	13%	0.126	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.2	174.8	-169.5	0	0	0	0	109.5	V57 D58 F114	V57-S134 WeakPolarHBondContact CA-O 3.18Å; D58-S134 PolarHBondContact N-O 3Å; D58-S134 PolarHBondContact O-N 3.46Å; F114-S134 CarbonylContact O-C 3.5Å; F114-S134 WeakPolarHBondContact O-CA 3.39Å
135	I	98.2	Very high	90.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.7	177	-57.3	177.1	0	0	0	108.2	Y55 H56 V57 F75 L78 F86 L100 I108 A113 F114 V133	Y55-I135 HydrophobicContact CD1-CG2 3.89Å; Y55-I135 HydrophobicContact CG-CG2 4.08Å; H56-I135 WeakPolarHBondContact O-CA 3.37Å; V57-I135 HydrophobicContact CG1-CG1 4.18Å; V57-I135 HydrophobicContact CG2-CG1 4.3Å; F75-I135 HydrophobicContact CE2-CD1 4.07Å; L78-I135 HydrophobicContact CD2-CD1 3.97Å; F86-I135 HydrophobicContact CE1-CD1 4.18Å; F86-I135 HydrophobicContact CZ-CD1 3.8Å; L100-I135 HydrophobicContact CD2-CD1 4.38Å; L100-I135 HydrophobicContact CD2-CG2 4.1Å; I108-I135 HydrophobicContact CD1-CB 4.25Å; I108-I135 HydrophobicContact CD1-CG2 3.91Å; A113-I135 WeakPolarHBondContact CA-O 3.33Å; F114-I135 HydrophobicContact CB-CB 4.4Å; F114-I135 HydrophobicContact CD1-CD1 4.26Å; F114-I135 PolarHBondContact N-O 3.05Å; F114-I135 PolarHBondContact O-N 2.85Å; V133-I135 HydrophobicContact CG1-CG1 4.25Å
136	K	97.1	Very high	90.7	Very high	107 Å²	107	58.7 Å²	58.7	47%	0.465	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.9	-179.5	-71	173.2	178.2	170.5	0	109.9	Y55 H56 A113 S138	Y55-K136 CarbonylContact C-O 3.54Å; Y55-K136 VanDerWaalsContact CA-O 3.24Å; Y55-K136 WeakPolarHBondContact CA-O 3.16Å; H56-K136 PolarHBondContact N-O 3.27Å; H56-K136 PolarHBondContact O-N 2.82Å; A113-K136 HydrophobicContact CB-CD 4.08Å; A113-K136 HydrophobicContact CB-CG 3.54Å; K136-S138 PolarHBondContact O-N 2.83Å
137	K	96.6	Very high	91.2	Very high	78 Å²	78	58 Å²	58	34%	0.339	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.2	172.4	-172.3	-178.7	170.8	-166.2	0	108.4	V53 Y55 E110	V53-K137 HydrophobicContact CG1-CD 4.26Å; V53-K137 HydrophobicContact CG1-CG 4.03Å; Y55-K137 VanDerWaalsContact CD1-CA 3.47Å; Y55-K137 HydrophobicContact CD1-CB 3.97Å; Y55-K137 HydrophobicContact CE1-CB 3.77Å; Y55-K137 HydrophobicContact CE1-CG 4.14Å; E110-K137 IonicContact OE1-NZ 3.43Å; E110-K137 WeakPolarHBondContact OE2-CD 3.41Å; E110-K137 IonicContact OE2-NZ 2.75Å; E110-K137 PolarHBondContact OE2-NZ 2.84Å
138	S	93.8	Very high	91.1	Very high	60 Å²	60	56.2 Å²	56.2	42%	0.42	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-15.9	-175.6	65.4	0	0	0	0	113.5	Q54 K136	Q54-S138 WeakPolarHBondContact CG-OG 3.24Å; Q54-S138 PolarHBondContact NE2-OG 3.33Å; Q54-S138 VanDerWaalsContact NE2-OG 3.14Å; Q54-S138 PolarHBondContact O-N 3.06Å; Q54-S138 PolarHBondContact O-OG 2.87Å; K136-S138 PolarHBondContact O-N 2.83Å
139	G	93.6	Very high	90.9	Very high	28 Å²	28	62.4 Å²	62.4	29%	0.289	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164	-162.2	175.8	0	0	0	0	0	112.8	Q54	Q54-G139 PolarHBondContact N-O 3.43Å; Q54-G139 PolarHBondContact O-N 2.89Å; Q54-G139 VanDerWaalsContact O-N 3.11Å
140	S	94.3	Very high	90.4	Very high	65 Å²	65	65.6 Å²	65.6	46%	0.455	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.8	168	67.6	0	0	0	0	110.2	E51 V52	E51-S140 VanDerWaalsContact OE1-CB 3.31Å; E51-S140 WeakPolarHBondContact OE1-CB 3.5Å; E51-S140 PolarHBondContact OE1-OG 2.9Å; V52-S140 CarbonylContact O-C 3.22Å; V52-S140 VanDerWaalsContact O-CA 3.26Å; V52-S140 WeakPolarHBondContact O-CA 3.34Å; V52-S140 WeakPolarHBondContact O-CB 3.48Å
141	V	94	Very high	89.7	Confident	13 Å²	13	61.9 Å²	61.9	8%	0.079	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.3	177.8	-177	0	0	0	0	108.5	V52 F101 P162 V165	V52-V141 HydrophobicContact CG2-CB 3.94Å; V52-V141 WeakPolarHBondContact CG2-O 3.38Å; V52-V141 PolarHBondContact N-O 2.79Å; V52-V141 PolarHBondContact O-N 3.08Å; F101-V141 HydrophobicContact CE1-CG2 4.4Å; V141-P162 HydrophobicContact CG1-CB 4.33Å; V141-V165 HydrophobicContact CB-CG2 4.02Å; V141-V165 HydrophobicContact CG1-CG2 3.86Å; V141-V165 HydrophobicContact CG2-CG2 4.31Å
142	K	92	Very high	89	Confident	105 Å²	105	65 Å²	65	46%	0.457	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.4	171.3	-66.9	177.7	-179.7	178.2	0	108.7	V49 E51 I144	V49-K142 HydrophobicContact CG1-CB 4.06Å; V49-K142 HydrophobicContact CG1-CD 4.38Å; V49-K142 HydrophobicContact CG1-CG 4.19Å; E51-K142 HydrophobicContact CB-CG 4.2Å; E51-K142 HydrophobicContact CG-CG 3.98Å; E51-K142 WeakPolarHBondContact OE2-CE 3.5Å; K142-I144 HydrophobicContact CB-CD1 4.33Å; K142-I144 HydrophobicContact CB-CG1 4.03Å; K142-I144 PolarHBondContact O-N 2.85Å
143	L	91	Very high	88.3	Confident	11 Å²	11	59.1 Å²	59.1	6%	0.058	32%	0.319	C	S	.	.			trans	-78.4	68.1	173.4	-56.4	-171.3	0	0	0	110	I50 P162 V165 V166 L413	I50-L143 HydrophobicContact CB-CB 4.12Å; I50-L143 HydrophobicContact CB-CD1 4.18Å; I50-L143 HydrophobicContact CB-CG 4.29Å; I50-L143 HydrophobicContact CG2-CB 4.33Å; I50-L143 HydrophobicContact CG2-CD1 3.59Å; I50-L143 HydrophobicContact CG2-CG 3.93Å; I50-L143 PolarHBondContact O-N 2.93Å; L143-P162 HydrophobicContact CD2-CB 3.94Å; L143-V165 HydrophobicContact CD1-CG1 4.46Å; L143-V165 HydrophobicContact CD2-CB 3.74Å; L143-V165 HydrophobicContact CD2-CG1 3.77Å; L143-V165 HydrophobicContact CD2-CG2 4.18Å; L143-V166 HydrophobicContact CD2-CG2 4.49Å; L143-L413 HydrophobicContact CD1-CD1 4.4Å; L143-L413 HydrophobicContact CD1-CD2 4.4Å
144	I	88.1	Confident	87.5	Confident	41 Å²	41	60.7 Å²	60.7	21%	0.21	33%	0.327	C	S	.	.			trans	-119.1	145.7	171.7	57.6	172.5	0	0	0	108	V49 K142 L154	V49-I144 HydrophobicContact CG1-CG2 3.78Å; V49-I144 HydrophobicContact CG2-CG2 4.36Å; K142-I144 HydrophobicContact CB-CD1 4.33Å; K142-I144 HydrophobicContact CB-CG1 4.03Å; K142-I144 PolarHBondContact O-N 2.85Å; I144-L154 HydrophobicContact CG1-CD1 4.35Å; I144-L154 WeakPolarHBondContact O-CD1 3.45Å
145	F	84.3	Confident	86.4	Confident	19 Å²	19	62 Å²	62	8%	0.083	34%	0.336	C	S	.	.	S	Bend	trans	-120.5	3.4	177.5	-57.2	-76.2	0	0	0	111.6	E159 P162 I163 V166 V219 Y223 P225	F145-E159 HydrophobicContact CD1-CG 4.17Å; F145-P162 HydrophobicContact CD1-CB 4.42Å; F145-P162 HydrophobicContact CD1-CG 4.21Å; F145-P162 HydrophobicContact CE1-CB 3.75Å; F145-P162 HydrophobicContact CE1-CG 3.92Å; F145-P162 HydrophobicContact CZ-CB 4.06Å; F145-I163 HydrophobicContact CE1-CG1 4.03Å; F145-V166 HydrophobicContact CZ-CG2 4.36Å; F145-V219 HydrophobicContact CB-CG1 4.09Å; F145-V219 HydrophobicContact CB-CG2 4.09Å; F145-V219 HydrophobicContact CD1-CG2 3.28Å; F145-V219 HydrophobicContact CE1-CG2 3.83Å; F145-V219 HydrophobicContact CG-CG2 3.8Å; F145-Y223 WeakPolarHBondContact O-CB 3.42Å; F145-P225 HydrophobicContact CD2-CB 3.77Å; F145-P225 HydrophobicContact CD2-CG 3.95Å; F145-P225 HydrophobicContact CE2-CB 3.51Å; F145-P225 HydrophobicContact CE2-CG 3.91Å; F145-P225 HydrophobicContact CZ-CB 4.09Å
146	K	84.6	Confident	85.1	Confident	104 Å²	104	64.9 Å²	64.9	45%	0.452	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-135.6	132.9	-179.8	-175.1	-176.2	-173.5	179.2	0	108	Q148 G151 Y223	K146-Q148 PolarHBondContact O-N 2.78Å; K146-G151 VanDerWaalsContact CE-CA 3.46Å; K146-G151 WeakPolarHBondContact CE-O 2.83Å; K146-Y223 HydrophobicContact CB-CD2 3.79Å; K146-Y223 HydrophobicContact CB-CG 3.92Å; K146-Y223 HydrophobicContact CD-CD2 3.69Å; K146-Y223 HydrophobicContact CD-CE2 4.17Å; K146-Y223 HydrophobicContact CG-CD2 3.55Å; K146-Y223 HydrophobicContact CG-CE2 3.93Å; K146-Y223 HydrophobicContact CG-CG 4.17Å
147	D	81.3	Confident	84	Confident	59 Å²	59	63.6 Å²	63.6	32%	0.316	35%	0.353	S	S	.	.			trans	-68.9	127.3	170	-173.9	-74.8	0	0	0	109.5	K149 S150 G151 V152 L154	D147-K149 VanDerWaalsContact C-N 3.32Å; D147-K149 PolarHBondContact O-N 2.97Å; D147-K149 WeakPolarHBondContact OD1-CA 3.43Å; D147-K149 WeakPolarHBondContact OD1-CB 3.42Å; D147-K149 PolarHBondContact OD1-N 2.77Å; D147-S150 WeakPolarHBondContact CB-OG 3.43Å; D147-S150 PolarHBondContact OD1-N 2.83Å; D147-S150 PolarHBondContact OD1-OG 2.83Å; D147-G151 VanDerWaalsContact O-CA 3.25Å; D147-G151 WeakPolarHBondContact O-CA 3.42Å; D147-G151 PolarHBondContact O-N 2.88Å; D147-V152 PolarHBondContact N-O 3.43Å; D147-L154 HydrophobicContact CB-CD2 4.35Å
148	Q	77.3	Confident	83.2	Confident	143 Å²	143	62.8 Å²	62.8	67%	0.668	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.6	-174.2	-66.3	-175.4	-5.6	0	0	113.2	K146	K146-Q148 PolarHBondContact O-N 2.78Å
149	K	79.6	Confident	82.8	Confident	204 Å²	204	62 Å²	62	89%	0.887	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-52	-178.2	-65	-175.8	177.7	-176.2	0	111.2	D147	D147-K149 VanDerWaalsContact C-N 3.32Å; D147-K149 PolarHBondContact O-N 2.97Å; D147-K149 WeakPolarHBondContact OD1-CA 3.43Å; D147-K149 WeakPolarHBondContact OD1-CB 3.42Å; D147-K149 PolarHBondContact OD1-N 2.77Å
150	S	77.6	Confident	82.4	Confident	75 Å²	75	66 Å²	66	52%	0.524	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-23.7	-178	70.5	0	0	0	0	112.4	D147 V152	D147-S150 WeakPolarHBondContact CB-OG 3.43Å; D147-S150 PolarHBondContact OD1-N 2.83Å; D147-S150 PolarHBondContact OD1-OG 2.83Å; S150-V152 PolarHBondContact O-N 3.07Å; S150-V152 PolarHBondContact OG-N 3.07Å
151	G	77.1	Confident	82.2	Confident	28 Å²	28	65.1 Å²	65.1	29%	0.289	35%	0.352	S	S	.	.			trans	72.5	9.4	-173	0	0	0	0	0	113.9	K146 D147	K146-G151 VanDerWaalsContact CE-CA 3.46Å; K146-G151 WeakPolarHBondContact CE-O 2.83Å; D147-G151 VanDerWaalsContact O-CA 3.25Å; D147-G151 WeakPolarHBondContact O-CA 3.42Å; D147-G151 PolarHBondContact O-N 2.88Å
152	V	79.5	Confident	82.2	Confident	66 Å²	66	64.7 Å²	64.7	40%	0.4	35%	0.349	S	S	.	.	S	Bend	trans	-99.9	167.7	-179.7	-167.8	0	0	0	0	109.8	D147 S150 Y223 D748	D147-V152 PolarHBondContact N-O 3.43Å; S150-V152 PolarHBondContact O-N 3.07Å; S150-V152 PolarHBondContact OG-N 3.07Å; V152-Y223 WeakPolarHBondContact CA-OH 3.13Å; V152-D748 VanDerWaalsContact CG1-OD2 3.23Å; V152-D748 WeakPolarHBondContact CG1-OD2 3.3Å
153	G	78.9	Confident	82.2	Confident	16 Å²	16	60.9 Å²	60.9	17%	0.165	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-64.9	157.7	177.3	0	0	0	0	0	111.6	Y223 D748	G153-Y223 VanDerWaalsContact CA-CD1 3.44Å; G153-Y223 PolarHBondContact N-OH 2.87Å; G153-D748 WeakPolarHBondContact CA-OD2 3.18Å; G153-D748 PolarHBondContact N-OD2 3.19Å
154	L	80.6	Confident	82.4	Confident	35 Å²	35	63.8 Å²	63.8	18%	0.183	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-65.6	151.3	168.7	-63	-174.6	0	0	0	110	I144 D147 E159 P162	I144-L154 HydrophobicContact CG1-CD1 4.35Å; I144-L154 WeakPolarHBondContact O-CD1 3.45Å; D147-L154 HydrophobicContact CB-CD2 4.35Å; L154-E159 HydrophobicContact CB-CB 4.11Å; L154-P162 HydrophobicContact CD1-CG 4.42Å
155	S	75.5	Confident	82.7	Confident	44 Å²	44	61.8 Å²	61.8	31%	0.308	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-60.7	149.6	169.4	91.9	0	0	0	0	109.9	D157 S158 E159	S155-D157 PolarHBondContact O-N 3.27Å; S155-D157 VanDerWaalsContact O-N 3.13Å; S155-S158 CarbonylContact O-C 3.57Å; S155-S158 WeakPolarHBondContact O-CA 3.44Å; S155-S158 WeakPolarHBondContact O-CB 3.31Å; S155-S158 PolarHBondContact O-N 2.79Å; S155-S158 PolarHBondContact OG-N 2.68Å; S155-S158 PolarHBondContact OG-OG 3.1Å; S155-E159 PolarHBondContact O-N 2.84Å
156	P	71.3	Confident	83.3	Confident	62 Å²	62	61 Å²	61	40%	0.403	33%	0.333	S	S	.	.	H	α-helix	trans	-51.6	-40.4	-177.4	-29.9	35.3	0	0	0	114.2	L20 S158 E159 Q160	L20-P156 HydrophobicContact CD1-CG 4.29Å; P156-S158 VanDerWaalsContact C-N 3.32Å; P156-S158 PolarHBondContact O-N 2.92Å; P156-E159 PolarHBondContact O-N 3.41Å; P156-Q160 PolarHBondContact O-N 2.92Å; P156-Q160 VanDerWaalsContact O-N 3.1Å
157	D	73.6	Confident	83.8	Confident	80 Å²	80	57.4 Å²	57.4	43%	0.428	32%	0.319	S	S	.	.	H	α-helix	trans	-67.3	-34.9	177.8	-60.9	-9.1	0	0	0	111.7	S155 R681	S155-D157 PolarHBondContact O-N 3.27Å; S155-D157 VanDerWaalsContact O-N 3.13Å; D157-R681 IonicContact OD1-NH1 3.92Å; D157-R681 IonicContact OD2-CZ 3.59Å; D157-R681 IonicContact OD2-NH1 3.15Å; D157-R681 PolarHBondContact OD2-NH1 3.13Å
158	S	80.2	Confident	84.5	Confident	61 Å²	61	55.1 Å²	55.1	43%	0.427	31%	0.307	S	S	.	.	H	α-helix	trans	-77.4	-29.9	177.2	-50.7	0	0	0	0	112.6	S155 P156 P162	S155-S158 CarbonylContact O-C 3.57Å; S155-S158 WeakPolarHBondContact O-CA 3.44Å; S155-S158 WeakPolarHBondContact O-CB 3.31Å; S155-S158 PolarHBondContact O-N 2.79Å; S155-S158 PolarHBondContact OG-N 2.68Å; S155-S158 PolarHBondContact OG-OG 3.1Å; P156-S158 VanDerWaalsContact C-N 3.32Å; P156-S158 PolarHBondContact O-N 2.92Å; S158-P162 WeakPolarHBondContact O-CD 3.13Å
159	E	84	Confident	85.4	Confident	43 Å²	43	48.3 Å²	48.3	20%	0.201	28%	0.276	C	S	.	.	H	α-helix	trans	-76.2	-25.7	177.2	-164.3	-178.5	-117.9	0	0	112.3	F145 L154 S155 P156 S161 P162 I163 V219	F145-E159 HydrophobicContact CD1-CG 4.17Å; L154-E159 HydrophobicContact CB-CB 4.11Å; S155-E159 PolarHBondContact O-N 2.84Å; P156-E159 PolarHBondContact O-N 3.41Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 3.45Å; E159-P162 WeakPolarHBondContact O-CD 3.2Å; E159-P162 VanDerWaalsContact O-CG 3.25Å; E159-P162 WeakPolarHBondContact O-CG 3.26Å; E159-I163 HydrophobicContact CG-CD1 3.85Å; E159-I163 HydrophobicContact CG-CG1 4.32Å; E159-I163 VanDerWaalsContact O-CG1 3.32Å; E159-I163 WeakPolarHBondContact O-CG1 3.49Å; E159-I163 PolarHBondContact O-N 3.2Å; E159-V219 HydrophobicContact CG-CG2 4Å; E159-V219 VanDerWaalsContact OE1-CB 3.24Å; E159-V219 WeakPolarHBondContact OE1-CB 3.31Å; E159-V219 WeakPolarHBondContact OE1-CG1 3.28Å; E159-V219 VanDerWaalsContact OE1-CG2 3.26Å; E159-V219 WeakPolarHBondContact OE1-CG2 3.25Å
160	Q	86.9	Confident	86.1	Confident	111 Å²	111	38.7 Å²	38.7	52%	0.519	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-40.4	-179.4	-173.9	175.3	-9.6	0	0	112.8	P156 I163 Q164	P156-Q160 PolarHBondContact O-N 2.92Å; P156-Q160 VanDerWaalsContact O-N 3.1Å; Q160-I163 PolarHBondContact O-N 2.8Å; Q160-Q164 WeakPolarHBondContact O-CB 3.41Å; Q160-Q164 PolarHBondContact O-N 3.48Å
161	S	89.7	Confident	86.9	Confident	48 Å²	48	36.1 Å²	36.1	34%	0.336	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-54.1	-179.5	-58.8	0	0	0	0	113.2	E159 I163 Q164 V165	E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 3.45Å; S161-I163 VanDerWaalsContact C-N 3.32Å; S161-I163 PolarHBondContact O-N 2.82Å; S161-Q164 WeakPolarHBondContact O-CB 3.46Å; S161-Q164 PolarHBondContact O-N 2.92Å; S161-Q164 VanDerWaalsContact O-N 3.16Å; S161-V165 WeakPolarHBondContact O-CG2 3.41Å; S161-V165 PolarHBondContact O-N 2.84Å
162	P	92.6	Very high	87.7	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-34.2	177.1	24.5	-33.6	0	0	0	112.8	V141 L143 F145 L154 S158 E159 Q164 V165 V166	V141-P162 HydrophobicContact CG1-CB 4.33Å; L143-P162 HydrophobicContact CD2-CB 3.94Å; F145-P162 HydrophobicContact CD1-CB 4.42Å; F145-P162 HydrophobicContact CD1-CG 4.21Å; F145-P162 HydrophobicContact CE1-CB 3.75Å; F145-P162 HydrophobicContact CE1-CG 3.92Å; F145-P162 HydrophobicContact CZ-CB 4.06Å; L154-P162 HydrophobicContact CD1-CG 4.42Å; S158-P162 WeakPolarHBondContact O-CD 3.13Å; E159-P162 WeakPolarHBondContact O-CD 3.2Å; E159-P162 VanDerWaalsContact O-CG 3.25Å; E159-P162 WeakPolarHBondContact O-CG 3.26Å; P162-Q164 VanDerWaalsContact C-N 3.34Å; P162-V165 PolarHBondContact O-N 3.44Å; P162-V166 WeakPolarHBondContact O-CG2 3.44Å; P162-V166 PolarHBondContact O-N 2.8Å; P162-V166 VanDerWaalsContact O-N 3.1Å
163	I	93	Very high	88.3	Confident	26 Å²	26	31.9 Å²	31.9	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-45.6	171.6	-71.2	174.3	0	0	0	110.7	F145 E159 Q160 S161 V165 V166 D167 A217 V219	F145-I163 HydrophobicContact CE1-CG1 4.03Å; E159-I163 HydrophobicContact CG-CD1 3.85Å; E159-I163 HydrophobicContact CG-CG1 4.32Å; E159-I163 VanDerWaalsContact O-CG1 3.32Å; E159-I163 WeakPolarHBondContact O-CG1 3.49Å; E159-I163 PolarHBondContact O-N 3.2Å; Q160-I163 PolarHBondContact O-N 2.8Å; S161-I163 VanDerWaalsContact C-N 3.32Å; S161-I163 PolarHBondContact O-N 2.82Å; I163-V165 PolarHBondContact O-N 3.4Å; I163-V166 PolarHBondContact O-N 3.43Å; I163-D167 PolarHBondContact O-N 2.94Å; I163-A217 HydrophobicContact CG2-CB 4.09Å; I163-V219 HydrophobicContact CD1-CG2 4.18Å; I163-V219 HydrophobicContact CG1-CG2 4.31Å
164	Q	93.9	Very high	89	Confident	71 Å²	71	31.7 Å²	31.7	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-62.9	-41.4	179.2	-174.6	178	36.5	0	0	111.9	Q160 S161 P162 V166 D167 V168	Q160-Q164 WeakPolarHBondContact O-CB 3.41Å; Q160-Q164 PolarHBondContact O-N 3.48Å; S161-Q164 WeakPolarHBondContact O-CB 3.46Å; S161-Q164 PolarHBondContact O-N 2.92Å; S161-Q164 VanDerWaalsContact O-N 3.16Å; P162-Q164 VanDerWaalsContact C-N 3.34Å; Q164-V166 VanDerWaalsContact C-N 3.35Å; Q164-V166 PolarHBondContact O-N 3.12Å; Q164-D167 PolarHBondContact O-N 3.05Å; Q164-V168 HydrophobicContact CG-CG2 4.47Å; Q164-V168 VanDerWaalsContact O-CG2 3.28Å; Q164-V168 WeakPolarHBondContact O-CG2 3.06Å; Q164-V168 PolarHBondContact O-N 2.91Å
165	V	96	Very high	89.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-50.9	174.2	177.2	0	0	0	0	110.1	V52 F101 V141 L143 S161 P162 I163 D167 V168 V169	V52-V165 HydrophobicContact CG1-CG1 4.45Å; V52-V165 HydrophobicContact CG2-CG1 3.9Å; V52-V165 HydrophobicContact CG2-CG2 3.97Å; F101-V165 HydrophobicContact CB-CG1 4.44Å; F101-V165 HydrophobicContact CD1-CG2 3.72Å; F101-V165 HydrophobicContact CD2-CB 4.46Å; F101-V165 HydrophobicContact CD2-CG1 4.33Å; F101-V165 HydrophobicContact CD2-CG2 4.25Å; F101-V165 HydrophobicContact CE1-CG2 3.5Å; F101-V165 HydrophobicContact CE2-CB 4.44Å; F101-V165 HydrophobicContact CE2-CG2 4.07Å; F101-V165 HydrophobicContact CG-CG1 4.18Å; F101-V165 HydrophobicContact CG-CG2 4.08Å; F101-V165 HydrophobicContact CZ-CG2 3.7Å; V141-V165 HydrophobicContact CB-CG2 4.02Å; V141-V165 HydrophobicContact CG1-CG2 3.86Å; V141-V165 HydrophobicContact CG2-CG2 4.31Å; L143-V165 HydrophobicContact CD1-CG1 4.46Å; L143-V165 HydrophobicContact CD2-CB 3.74Å; L143-V165 HydrophobicContact CD2-CG1 3.77Å; L143-V165 HydrophobicContact CD2-CG2 4.18Å; S161-V165 WeakPolarHBondContact O-CG2 3.41Å; S161-V165 PolarHBondContact O-N 2.84Å; P162-V165 PolarHBondContact O-N 3.44Å; I163-V165 PolarHBondContact O-N 3.4Å; V165-D167 VanDerWaalsContact C-N 3.34Å; V165-D167 PolarHBondContact O-N 3.3Å; V165-V168 PolarHBondContact O-N 3.29Å; V165-V169 HydrophobicContact CG1-CG2 4.23Å; V165-V169 WeakPolarHBondContact O-CG2 3.43Å; V165-V169 PolarHBondContact O-N 3.2Å
166	V	95.5	Very high	90.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-42.7	-178.9	176.1	0	0	0	0	111.2	L42 L143 F145 P162 I163 Q164 V168 V169 L170 A217 L413	L42-V166 HydrophobicContact CD1-CG1 4.41Å; L42-V166 HydrophobicContact CD2-CG1 3.64Å; L42-V166 HydrophobicContact CD2-CG2 4.01Å; L143-V166 HydrophobicContact CD2-CG2 4.49Å; F145-V166 HydrophobicContact CZ-CG2 4.36Å; P162-V166 WeakPolarHBondContact O-CG2 3.44Å; P162-V166 PolarHBondContact O-N 2.8Å; P162-V166 VanDerWaalsContact O-N 3.1Å; I163-V166 PolarHBondContact O-N 3.43Å; Q164-V166 VanDerWaalsContact C-N 3.35Å; Q164-V166 PolarHBondContact O-N 3.12Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V166-V168 PolarHBondContact O-N 2.95Å; V166-V169 PolarHBondContact O-N 3.25Å; V166-L170 HydrophobicContact CG1-CD1 3.65Å; V166-L170 HydrophobicContact CG1-CG 4.16Å; V166-L170 VanDerWaalsContact O-CB 3.31Å; V166-L170 WeakPolarHBondContact O-CB 3.43Å; V166-L170 VanDerWaalsContact O-CG 3.27Å; V166-L170 WeakPolarHBondContact O-CG 3.19Å; V166-L170 PolarHBondContact O-N 2.68Å; V166-A217 HydrophobicContact CB-CB 3.84Å; V166-A217 HydrophobicContact CG1-CB 3.6Å; V166-L413 HydrophobicContact CG2-CD1 4.34Å
167	D	95.6	Very high	91.5	Very high	29 Å²	29	29 Å²	29	16%	0.155	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-42.9	175.5	-90.3	-4.6	0	0	0	112.1	I163 Q164 V165 A171 N190 S216 A217	I163-D167 PolarHBondContact O-N 2.94Å; Q164-D167 PolarHBondContact O-N 3.05Å; V165-D167 VanDerWaalsContact C-N 3.34Å; V165-D167 PolarHBondContact O-N 3.3Å; D167-A171 PolarHBondContact O-N 3.11Å; D167-N190 PolarHBondContact OD2-ND2 3.01Å; D167-S216 VanDerWaalsContact OD1-CA 3.23Å; D167-S216 WeakPolarHBondContact OD1-CA 3.39Å; D167-A217 PolarHBondContact OD1-N 3.43Å
168	V	96.2	Very high	92.4	Very high	12 Å²	12	28 Å²	28	7%	0.073	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-41.1	179.1	174.6	0	0	0	0	111.1	A93 D95 F101 Q164 V165 V166 A171 Q172	A93-V168 HydrophobicContact CB-CG1 3.96Å; D95-V168 HydrophobicContact CB-CG1 4.12Å; D95-V168 HydrophobicContact CB-CG2 3.74Å; F101-V168 HydrophobicContact CD2-CB 4.13Å; F101-V168 HydrophobicContact CD2-CG1 4.04Å; F101-V168 HydrophobicContact CE2-CB 4.09Å; F101-V168 HydrophobicContact CE2-CG1 4.3Å; F101-V168 HydrophobicContact CE2-CG2 4.08Å; Q164-V168 HydrophobicContact CG-CG2 4.47Å; Q164-V168 VanDerWaalsContact O-CG2 3.28Å; Q164-V168 WeakPolarHBondContact O-CG2 3.06Å; Q164-V168 PolarHBondContact O-N 2.91Å; V165-V168 PolarHBondContact O-N 3.29Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V166-V168 PolarHBondContact O-N 2.95Å; V168-A171 PolarHBondContact O-N 3.44Å; V168-Q172 WeakPolarHBondContact O-CG 3.29Å; V168-Q172 PolarHBondContact O-NE2 2.81Å
169	V	96	Very high	92.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-49.8	174.8	175.9	0	0	0	0	110.6	A93 V165 V166 A171 Q172 F407 L408 F411 L413	A93-V169 HydrophobicContact CB-CB 4.42Å; A93-V169 HydrophobicContact CB-CG2 3.71Å; V165-V169 HydrophobicContact CG1-CG2 4.23Å; V165-V169 WeakPolarHBondContact O-CG2 3.43Å; V165-V169 PolarHBondContact O-N 3.2Å; V166-V169 PolarHBondContact O-N 3.25Å; V169-A171 PolarHBondContact O-N 2.89Å; V169-Q172 PolarHBondContact O-N 3.05Å; V169-F407 HydrophobicContact CG1-CB 4.21Å; V169-L408 HydrophobicContact CG1-CD2 3.83Å; V169-F411 HydrophobicContact CG1-CB 4.28Å; V169-F411 HydrophobicContact CG1-CD2 4.15Å; V169-F411 HydrophobicContact CG1-CG 4.19Å; V169-F411 HydrophobicContact CG2-CD1 3.82Å; V169-F411 HydrophobicContact CG2-CD2 4.14Å; V169-F411 HydrophobicContact CG2-CE1 3.94Å; V169-F411 HydrophobicContact CG2-CE2 4.23Å; V169-F411 HydrophobicContact CG2-CG 3.92Å; V169-F411 HydrophobicContact CG2-CZ 4.14Å; V169-L413 HydrophobicContact CG1-CD1 4.5Å
170	L	94.4	Very high	93.1	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-57	-27.1	179.7	-79	167.3	0	0	0	112.9	V166 R174 I215 V227 L408	V166-L170 HydrophobicContact CG1-CD1 3.65Å; V166-L170 HydrophobicContact CG1-CG 4.16Å; V166-L170 VanDerWaalsContact O-CB 3.31Å; V166-L170 WeakPolarHBondContact O-CB 3.43Å; V166-L170 VanDerWaalsContact O-CG 3.27Å; V166-L170 WeakPolarHBondContact O-CG 3.19Å; V166-L170 PolarHBondContact O-N 2.68Å; L170-R174 VanDerWaalsContact O-CZ 3.25Å; L170-R174 PolarHBondContact O-NH1 2.9Å; L170-R174 VanDerWaalsContact O-NH1 3.1Å; L170-R174 PolarHBondContact O-NH2 2.88Å; L170-I215 HydrophobicContact CB-CG2 4.27Å; L170-I215 HydrophobicContact CD1-CG2 3.86Å; L170-I215 HydrophobicContact CD2-CG2 4.45Å; L170-I215 HydrophobicContact CG-CG2 4.45Å; L170-V227 HydrophobicContact CD1-CG1 3.96Å; L170-V227 HydrophobicContact CD1-CG2 3.84Å; L170-L408 HydrophobicContact CD2-CD1 3.94Å; L170-L408 HydrophobicContact CD2-CD2 3.79Å; L170-L408 HydrophobicContact CD2-CG 4.39Å; L170-L408 HydrophobicContact CG-CD2 4.22Å
171	A	93.9	Very high	93.1	Very high	21 Å²	21	25.6 Å²	25.6	17%	0.174	15%	0.15	C	C	.	.	H	α-helix	trans	-77.8	-23.3	179	0	0	0	0	0	114.1	D167 V168 V169 G173 R174 A175	D167-A171 PolarHBondContact O-N 3.11Å; V168-A171 PolarHBondContact O-N 3.44Å; V169-A171 PolarHBondContact O-N 2.89Å; A171-G173 PolarHBondContact O-N 2.79Å; A171-R174 PolarHBondContact O-N 2.65Å; A171-R174 VanDerWaalsContact O-N 3.13Å; A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.23Å; A171-A175 PolarHBondContact O-N 2.92Å; A171-A175 VanDerWaalsContact O-N 3.1Å
172	Q	94.5	Very high	93.1	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-43.6	-165.6	-63.2	-49.4	-35.4	0	0	114	A93 Y94 V168 V169 R174 A175 C176 F407	A93-Q172 HydrophobicContact CB-CG 3.8Å; Y94-Q172 PolarHBondContact O-NE2 2.96Å; V168-Q172 WeakPolarHBondContact O-CG 3.29Å; V168-Q172 PolarHBondContact O-NE2 2.81Å; V169-Q172 PolarHBondContact O-N 3.05Å; Q172-R174 PolarHBondContact O-N 3.35Å; Q172-A175 PolarHBondContact O-N 3.47Å; Q172-C176 VanDerWaalsContact O-CB 3.23Å; Q172-C176 WeakPolarHBondContact O-CB 3.24Å; Q172-C176 PolarHBondContact O-N 3.08Å; Q172-F407 HydrophobicContact CB-CB 4.04Å; Q172-F407 HydrophobicContact CB-CD1 3.64Å; Q172-F407 HydrophobicContact CB-CD2 3.38Å; Q172-F407 HydrophobicContact CB-CE1 3.87Å; Q172-F407 HydrophobicContact CB-CE2 3.61Å; Q172-F407 HydrophobicContact CB-CG 3.4Å; Q172-F407 HydrophobicContact CB-CZ 3.87Å; Q172-F407 HydrophobicContact CG-CB 4.49Å; Q172-F407 HydrophobicContact CG-CD1 3.88Å; Q172-F407 HydrophobicContact CG-CD2 4.46Å; Q172-F407 HydrophobicContact CG-CE1 4.2Å; Q172-F407 HydrophobicContact CG-CG 4.04Å
173	G	92	Very high	93	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-58.9	-14.8	178.5	0	0	0	0	0	115.1	A171 R181 D405	A171-G173 PolarHBondContact O-N 2.79Å; G173-R181 WeakPolarHBondContact O-CG 3.37Å; G173-D405 VanDerWaalsContact CA-OD2 3.28Å; G173-D405 WeakPolarHBondContact CA-OD2 3.15Å
174	R	92.8	Very high	92.8	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-114.1	-6.5	176.8	-60.3	176.5	-59.8	-71.9	-5	113.5	L170 A171 Q172 F185 V187 A192	L170-R174 VanDerWaalsContact O-CZ 3.25Å; L170-R174 PolarHBondContact O-NH1 2.9Å; L170-R174 VanDerWaalsContact O-NH1 3.1Å; L170-R174 PolarHBondContact O-NH2 2.88Å; A171-R174 PolarHBondContact O-N 2.65Å; A171-R174 VanDerWaalsContact O-N 3.13Å; Q172-R174 PolarHBondContact O-N 3.35Å; R174-F185 HydrophobicContact CB-CB 4.35Å; R174-F185 HydrophobicContact CB-CD2 4.02Å; R174-F185 HydrophobicContact CB-CG 4.15Å; R174-F185 HydrophobicContact CG-CD2 3.97Å; R174-F185 HydrophobicContact CG-CE2 4.05Å; R174-F185 HydrophobicContact CG-CG 4.28Å; R174-F185 HydrophobicContact CG-CZ 4.42Å; R174-V187 HydrophobicContact CB-CG2 4.43Å; R174-V187 WeakPolarHBondContact O-CG2 3.43Å; R174-A192 HydrophobicContact CB-CB 4.17Å; R174-A192 HydrophobicContact CG-CB 4.49Å
175	A	93	Very high	92.7	Very high	11 Å²	11	35.7 Å²	35.7	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-121.4	-24.7	-173.7	0	0	0	0	0	113.8	A171 Q172 V187	A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.23Å; A171-A175 PolarHBondContact O-N 2.92Å; A171-A175 VanDerWaalsContact O-N 3.1Å; Q172-A175 PolarHBondContact O-N 3.47Å; A175-V187 HydrophobicContact CB-CG2 4.09Å
176	C	94.7	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.			trans	-76.4	122.3	-178.8	176.2	0	0	0	0	110.8	W76 Q172 L178 V179 A182 F407	W76-C176 HydrophobicContact CD2-CB 4.36Å; W76-C176 HydrophobicContact CH2-CB 4.5Å; W76-C176 HydrophobicContact CZ2-CB 3.84Å; W76-C176 VanDerWaalsContact CZ2-SG 3.58Å; Q172-C176 VanDerWaalsContact O-CB 3.23Å; Q172-C176 WeakPolarHBondContact O-CB 3.24Å; Q172-C176 PolarHBondContact O-N 3.08Å; C176-L178 PolarHBondContact O-N 2.98Å; C176-L178 PolarHBondContact SG-N 3.4Å; C176-V179 HydrophobicContact CB-CG2 4.05Å; C176-V179 PolarHBondContact O-N 3.17Å; C176-A182 WeakPolarHBondContact O-CB 3.3Å; C176-F407 HydrophobicContact CB-CE2 4.04Å; C176-F407 HydrophobicContact CB-CZ 3.72Å
177	T	92.1	Very high	92.4	Very high	72 Å²	72	36.9 Å²	36.9	44%	0.442	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.5	-178.1	59.8	0	0	0	0	113.6	W76 V179	W76-T177 WeakPolarHBondContact CB-OG1 3.42Å; T177-V179 VanDerWaalsContact C-N 3.28Å
178	L	92.7	Very high	92.1	Very high	59 Å²	59	37.7 Å²	37.7	31%	0.309	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-20.3	168.3	-54.8	-178.3	0	0	0	111.9	W76 V79 K80 P89 C176	W76-L178 HydrophobicContact CB-CG 4.33Å; W76-L178 HydrophobicContact CD2-CG 4.47Å; W76-L178 HydrophobicContact CE3-CD1 3.6Å; W76-L178 HydrophobicContact CE3-CG 3.98Å; W76-L178 HydrophobicContact CZ3-CD1 4.05Å; V79-L178 HydrophobicContact CG1-CD1 4.21Å; K80-L178 HydrophobicContact CB-CD2 4.07Å; K80-L178 HydrophobicContact CD-CD2 4.23Å; K80-L178 HydrophobicContact CG-CD2 4.45Å; P89-L178 HydrophobicContact CB-CD1 3.85Å; C176-L178 PolarHBondContact O-N 2.98Å; C176-L178 PolarHBondContact SG-N 3.4Å
179	V	91.6	Very high	91.7	Very high	10 Å²	10	38.8 Å²	38.8	6%	0.061	21%	0.212	C	C	.	.	S	Bend	trans	-92.4	113.3	177.1	-169.3	0	0	0	0	109.1	F90 C176 T177 R181 A182 F407	F90-V179 HydrophobicContact CE1-CG2 4Å; C176-V179 HydrophobicContact CB-CG2 4.05Å; C176-V179 PolarHBondContact O-N 3.17Å; T177-V179 VanDerWaalsContact C-N 3.28Å; V179-R181 HydrophobicContact CG1-CB 4.38Å; V179-R181 HydrophobicContact CG1-CG 3.67Å; V179-R181 PolarHBondContact O-N 2.9Å; V179-R181 VanDerWaalsContact O-N 3.08Å; V179-A182 VanDerWaalsContact O-CB 3.24Å; V179-A182 WeakPolarHBondContact O-CB 3.27Å; V179-A182 PolarHBondContact O-N 3.4Å; V179-F407 HydrophobicContact CG2-CE2 3.79Å; V179-F407 HydrophobicContact CG2-CZ 4.37Å
180	S	88	Confident	91.5	Very high	104 Å²	104	42.1 Å²	42.1	73%	0.727	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-53.2	-35	-178.8	58.8	0	0	0	0	113.6	A182 E183	S180-A182 PolarHBondContact O-N 2.93Å; S180-E183 PolarHBondContact O-N 3.29Å
181	R	87.3	Confident	91.5	Very high	52 Å²	52	42.5 Å²	42.5	20%	0.196	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-65.5	-23.7	178.8	88.8	-173.7	83.1	162.4	3.3	113.6	G173 V179 E183 R184 F185 A400	G173-R181 WeakPolarHBondContact O-CG 3.37Å; V179-R181 HydrophobicContact CG1-CB 4.38Å; V179-R181 HydrophobicContact CG1-CG 3.67Å; V179-R181 PolarHBondContact O-N 2.9Å; V179-R181 VanDerWaalsContact O-N 3.08Å; R181-E183 PolarHBondContact O-N 3.45Å; R181-R184 WeakPolarHBondContact O-CB 3.3Å; R181-R184 PolarHBondContact O-N 3.2Å; R181-F185 WeakPolarHBondContact O-CD2 3.28Å; R181-A400 PolarHBondContact NH1-O 2.94Å
182	A	89.7	Confident	91.5	Very high	11 Å²	11	41.6 Å²	41.6	9%	0.091	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-62.7	-25.8	-178.2	0	0	0	0	0	112.3	C176 V179 S180 R184 F185	C176-A182 WeakPolarHBondContact O-CB 3.3Å; V179-A182 VanDerWaalsContact O-CB 3.24Å; V179-A182 WeakPolarHBondContact O-CB 3.27Å; V179-A182 PolarHBondContact O-N 3.4Å; S180-A182 PolarHBondContact O-N 2.93Å; A182-R184 PolarHBondContact O-N 3.45Å; A182-F185 PolarHBondContact O-N 2.99Å
183	E	89.2	Confident	91.6	Very high	148 Å²	148	42 Å²	42	69%	0.692	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-62.6	-23.5	175.6	-64.9	-172.7	167.8	0	0	113.2	S180 R181 F185 K362	S180-E183 PolarHBondContact O-N 3.29Å; R181-E183 PolarHBondContact O-N 3.45Å; E183-F185 PolarHBondContact O-N 3.04Å; E183-K362 PolarHBondContact O-NZ 3.33Å
184	R	90.2	Very high	91.6	Very high	171 Å²	171	45.8 Å²	45.8	65%	0.645	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-76.4	-5.5	175.9	-58.4	-177.4	-177.2	179	0.6	113.3	R181 A182 E194 V195	R181-R184 WeakPolarHBondContact O-CB 3.3Å; R181-R184 PolarHBondContact O-N 3.2Å; A182-R184 PolarHBondContact O-N 3.45Å; R184-E194 WeakPolarHBondContact O-CA 3.35Å; R184-V195 WeakPolarHBondContact O-CG2 3.49Å; R184-V195 PolarHBondContact O-N 3.29Å
185	F	92.4	Very high	91.6	Very high	29 Å²	29	47.2 Å²	47.2	13%	0.127	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.7	-176.2	-60.1	-78.7	0	0	0	112.5	R174 R181 A182 E183 A192 Y193 E194 K362	R174-F185 HydrophobicContact CB-CB 4.35Å; R174-F185 HydrophobicContact CB-CD2 4.02Å; R174-F185 HydrophobicContact CB-CG 4.15Å; R174-F185 HydrophobicContact CG-CD2 3.97Å; R174-F185 HydrophobicContact CG-CE2 4.05Å; R174-F185 HydrophobicContact CG-CG 4.28Å; R174-F185 HydrophobicContact CG-CZ 4.42Å; R181-F185 WeakPolarHBondContact O-CD2 3.28Å; A182-F185 PolarHBondContact O-N 2.99Å; E183-F185 PolarHBondContact O-N 3.04Å; F185-A192 HydrophobicContact CB-CB 4.38Å; F185-A192 HydrophobicContact CD1-CB 4.14Å; F185-A192 HydrophobicContact CG-CB 4.47Å; F185-Y193 CarbonylContact C-O 3.58Å; F185-Y193 VanDerWaalsContact CA-O 3.3Å; F185-Y193 WeakPolarHBondContact CA-O 3.42Å; F185-E194 HydrophobicContact CD1-CB 4.5Å; F185-E194 HydrophobicContact CE1-CB 4.37Å; F185-K362 PolarHBondContact O-NZ 3.06Å
186	C	92.2	Very high	91.5	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.054	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.3	163.7	-179.8	0	0	0	0	108.2	Y193 W210 F236 K362	C186-Y193 PolarHBondContact N-O 2.89Å; C186-Y193 PolarHBondContact O-N 2.72Å; C186-W210 HydrophobicContact CB-CZ3 4.09Å; C186-F236 HydrophobicContact CB-CE1 4.27Å; C186-F236 HydrophobicContact CB-CZ 4.44Å; C186-K362 HydrophobicContact CB-CB 4.46Å
187	V	91.7	Very high	91.1	Very high	18 Å²	18	53.8 Å²	53.8	11%	0.109	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.7	-173.4	-178.6	0	0	0	0	110.6	R174 A175 S191 A192	R174-V187 HydrophobicContact CB-CG2 4.43Å; R174-V187 WeakPolarHBondContact O-CG2 3.43Å; A175-V187 HydrophobicContact CB-CG2 4.09Å; V187-S191 CarbonylContact C-O 3.51Å; V187-S191 WeakPolarHBondContact CA-O 3.32Å; V187-A192 HydrophobicContact CG2-CB 4.16Å
188	V	88.9	Confident	90.7	Very high	46 Å²	46	62.2 Å²	62.2	28%	0.279	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	106.3	178.3	-172.7	0	0	0	0	109.6	N190 S191 Y193	V188-N190 PolarHBondContact O-N 3.42Å; V188-S191 PolarHBondContact N-O 3.19Å; V188-S191 PolarHBondContact O-N 2.69Å; V188-S191 VanDerWaalsContact O-N 3.14Å; V188-Y193 HydrophobicContact CB-CD2 4.48Å; V188-Y193 HydrophobicContact CB-CE2 3.99Å; V188-Y193 HydrophobicContact CG2-CD2 4.18Å; V188-Y193 HydrophobicContact CG2-CE2 4.1Å
189	G	88	Confident	90.3	Very high	36 Å²	36	62.4 Å²	62.4	37%	0.371	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-129.9	-170.6	0	0	0	0	0	110.3	S191	G189-S191 VanDerWaalsContact C-N 3.26Å; G189-S191 PolarHBondContact O-N 3.06Å
190	N	92.2	Very high	90.1	Very high	69 Å²	69	62.5 Å²	62.5	37%	0.369	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	11.3	179.8	-72.8	20.9	0	0	0	113.3	D167 V188 F214 I215	D167-N190 PolarHBondContact OD2-ND2 3.01Å; V188-N190 PolarHBondContact O-N 3.42Å; N190-F214 HydrophobicContact CB-CD2 4.07Å; N190-F214 HydrophobicContact CB-CE2 3.7Å; N190-F214 HydrophobicContact CB-CZ 4.37Å; N190-F214 WeakPolarHBondContact O-CA 3.32Å; N190-I215 WeakPolarHBondContact CB-O 3.26Å; N190-I215 PolarHBondContact O-N 2.99Å
191	S	94.7	Very high	90.3	Very high	10 Å²	10	60.2 Å²	60.2	7%	0.07	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137	176.7	-62.7	0	0	0	0	111.6	V187 V188 G189 L213 S232	V187-S191 CarbonylContact C-O 3.51Å; V187-S191 WeakPolarHBondContact CA-O 3.32Å; V188-S191 PolarHBondContact N-O 3.19Å; V188-S191 PolarHBondContact O-N 2.69Å; V188-S191 VanDerWaalsContact O-N 3.14Å; G189-S191 VanDerWaalsContact C-N 3.26Å; G189-S191 PolarHBondContact O-N 3.06Å; S191-L213 VanDerWaalsContact CA-O 3.32Å; S191-L213 WeakPolarHBondContact CA-O 3.42Å; S191-S232 PolarHBondContact OG-OG 3.49Å
192	A	94.5	Very high	90.6	Very high	3 Å²	3	60.8 Å²	60.8	3%	0.025	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.9	168.7	0	0	0	0	0	109.3	R174 F185 V187 G212 L213	R174-A192 HydrophobicContact CB-CB 4.17Å; R174-A192 HydrophobicContact CG-CB 4.49Å; F185-A192 HydrophobicContact CB-CB 4.38Å; F185-A192 HydrophobicContact CD1-CB 4.14Å; F185-A192 HydrophobicContact CG-CB 4.47Å; V187-A192 HydrophobicContact CG2-CB 4.16Å; A192-G212 CarbonylContact O-C 3.53Å; A192-G212 WeakPolarHBondContact O-CA 3.24Å; A192-L213 PolarHBondContact N-O 2.96Å; A192-L213 PolarHBondContact O-N 3.18Å
193	Y	95.1	Very high	90.8	Very high	11 Å²	11	60.3 Å²	60.3	4%	0.043	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.1	179.5	-58.3	-83.9	0	0	0	110	F185 C186 V188 S232 A234 F236	F185-Y193 CarbonylContact C-O 3.58Å; F185-Y193 VanDerWaalsContact CA-O 3.3Å; F185-Y193 WeakPolarHBondContact CA-O 3.42Å; C186-Y193 PolarHBondContact N-O 2.89Å; C186-Y193 PolarHBondContact O-N 2.72Å; V188-Y193 HydrophobicContact CB-CD2 4.48Å; V188-Y193 HydrophobicContact CB-CE2 3.99Å; V188-Y193 HydrophobicContact CG2-CD2 4.18Å; V188-Y193 HydrophobicContact CG2-CE2 4.1Å; Y193-S232 PolarHBondContact OH-OG 3.21Å; Y193-S232 VanDerWaalsContact OH-OG 3.06Å; Y193-A234 HydrophobicContact CD1-CB 4.01Å; Y193-A234 HydrophobicContact CE1-CB 3.45Å; Y193-A234 VanDerWaalsContact CE1-CB 3.45Å; Y193-A234 HydrophobicContact CE2-CB 4.06Å; Y193-A234 VanDerWaalsContact CZ-CB 3.47Å; Y193-F236 HydrophobicContact CD1-CE2 4.27Å; Y193-F236 HydrophobicContact CD2-CE2 4.13Å; Y193-F236 AromaticContact CD2-CZ 3.82Å; Y193-F236 HydrophobicContact CD2-CZ 3.82Å; Y193-F236 AromaticContact CG-CE2 3.84Å; Y193-F236 HydrophobicContact CG-CE2 3.84Å; Y193-F236 AromaticContact CG-CZ 3.92Å; Y193-F236 HydrophobicContact CG-CZ 3.92Å
194	E	93	Very high	91	Very high	81 Å²	81	57.1 Å²	57.1	38%	0.379	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.1	178.7	-170.8	174.6	-164	0	0	110	R184 F185 P196 R211	R184-E194 WeakPolarHBondContact O-CA 3.35Å; F185-E194 HydrophobicContact CD1-CB 4.5Å; F185-E194 HydrophobicContact CE1-CB 4.37Å; E194-P196 WeakPolarHBondContact O-CD 3.01Å; E194-R211 PolarHBondContact N-O 3.42Å
195	V	93	Very high	91.1	Very high	43 Å²	43	50.7 Å²	50.7	26%	0.261	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-73.1	118.6	174.4	-178.9	0	0	0	0	107.6	R184 A197 W210 K362	R184-V195 WeakPolarHBondContact O-CG2 3.49Å; R184-V195 PolarHBondContact O-N 3.29Å; V195-A197 PolarHBondContact O-N 2.8Å; V195-W210 HydrophobicContact CB-CH2 4.26Å; V195-W210 HydrophobicContact CB-CZ3 4.25Å; V195-W210 HydrophobicContact CG1-CH2 4.04Å; V195-W210 HydrophobicContact CG2-CH2 4.01Å; V195-W210 HydrophobicContact CG2-CZ3 3.78Å; V195-K362 HydrophobicContact CG2-CD 4.39Å; V195-K362 HydrophobicContact CG2-CG 4.3Å
196	P	91	Very high	91.2	Very high	36 Å²	36	49.3 Å²	49.3	23%	0.234	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-61	132.7	-179.4	-22.3	33	0	0	0	111.4	E194 R198 S199 W210	E194-P196 WeakPolarHBondContact O-CD 3.01Å; P196-R198 PolarHBondContact O-N 3.31Å; P196-S199 VanDerWaalsContact CB-C 3.44Å; P196-W210 HydrophobicContact CG-CD2 4.21Å; P196-W210 HydrophobicContact CG-CG 4.12Å; P196-W210 HydrophobicContact CG-CZ2 4.45Å
197	A	86.1	Confident	91.4	Very high	112 Å²	112	49 Å²	49	93%	0.926	28%	0.276	S	S	*	.	S	Bend	trans	-63.2	-24.5	179.6	0	0	0	0	0	113.9	V195	V195-A197 PolarHBondContact O-N 2.8Å
198	R	83.8	Confident	91.5	Very high	249 Å²	249	48.3 Å²	48.3	94%	0.94	27%	0.272	S	S	*	.	S	Bend	trans	-126.4	-66.8	175.9	-67.5	-175	-179.7	-176.6	-0.3	111.8	P196	P196-R198 PolarHBondContact O-N 3.31Å
199	S	83.9	Confident	91.9	Very high	63 Å²	63	46.6 Å²	46.6	44%	0.441	26%	0.261	S	S	.	.			trans	-153.7	147.2	176.5	59.1	0	0	0	0	109.8	P196	P196-S199 VanDerWaalsContact CB-C 3.44Å
200	G	87.6	Confident	92.2	Very high	13 Å²	13	45.1 Å²	45.1	13%	0.134	25%	0.245	C	C	.	.			trans	-71.3	-178.5	170.2	0	0	0	0	0	111.9	N202 E208	G200-N202 PolarHBondContact O-N 3.3Å; G200-E208 WeakPolarHBondContact CA-OE2 3.38Å; G200-E208 PolarHBondContact N-OE2 3.48Å
201	V	92.6	Very high	92.3	Very high	55 Å²	55	47.1 Å²	47.1	33%	0.333	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	116.2	175.8	178.8	0	0	0	0	108.5	L203 E208 L209 Q381	V201-L203 PolarHBondContact O-N 3.27Å; V201-E208 CarbonylContact O-C 3.45Å; V201-E208 VanDerWaalsContact O-CA 3.24Å; V201-E208 WeakPolarHBondContact O-CA 3.48Å; V201-L209 HydrophobicContact CB-CB 4.18Å; V201-L209 PolarHBondContact N-O 3.36Å; V201-L209 PolarHBondContact O-N 2.85Å; V201-Q381 HydrophobicContact CB-CG 4.28Å; V201-Q381 HydrophobicContact CG1-CG 3.98Å; V201-Q381 HydrophobicContact CG2-CG 3.95Å
202	N	93.2	Very high	92.3	Very high	65 Å²	65	46.7 Å²	46.7	35%	0.348	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	116	-175.7	-172.2	-1.4	0	0	0	111.3	G200 K204	G200-N202 PolarHBondContact O-N 3.3Å; N202-K204 VanDerWaalsContact OD1-CA 3.31Å; N202-K204 WeakPolarHBondContact OD1-CA 3.38Å; N202-K204 PolarHBondContact OD1-N 3.38Å
203	L	93.9	Very high	92.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.			trans	-96.9	7.8	173.7	-61.5	-177	0	0	0	112.2	V201 V207 L209 A235 Q374 L377 V378	V201-L203 PolarHBondContact O-N 3.27Å; L203-V207 WeakPolarHBondContact CA-O 3.34Å; L203-V207 HydrophobicContact CB-CB 4.35Å; L203-V207 HydrophobicContact CB-CG1 4.36Å; L203-V207 WeakPolarHBondContact CB-O 3.38Å; L203-V207 HydrophobicContact CD1-CG1 4.19Å; L203-V207 PolarHBondContact N-O 2.94Å; L203-L209 HydrophobicContact CD1-CB 3.87Å; L203-L209 HydrophobicContact CD1-CD1 4.25Å; L203-L209 HydrophobicContact CD2-CB 4.13Å; L203-L209 HydrophobicContact CG-CB 3.97Å; L203-A235 HydrophobicContact CD1-CB 4.19Å; L203-Q374 HydrophobicContact CB-CG 4.24Å; L203-Q374 WeakPolarHBondContact O-CG 3.08Å; L203-Q374 PolarHBondContact O-NE2 3.21Å; L203-L377 HydrophobicContact CD2-CB 3.74Å; L203-V378 HydrophobicContact CD1-CG2 3.56Å; L203-V378 HydrophobicContact CD2-CG2 3.79Å; L203-V378 HydrophobicContact CG-CG2 4.35Å
204	K	92.9	Very high	92.4	Very high	82 Å²	82	47.3 Å²	47.3	36%	0.357	25%	0.247	S	C	.	.	S	Bend	trans	62.2	178.2	-171.1	-43.2	-71	-172.2	167.4	0	112.8	N202 G206 V207 A252 F373 Q374	N202-K204 VanDerWaalsContact OD1-CA 3.31Å; N202-K204 WeakPolarHBondContact OD1-CA 3.38Å; N202-K204 PolarHBondContact OD1-N 3.38Å; K204-G206 PolarHBondContact O-N 2.93Å; K204-V207 WeakPolarHBondContact O-CB 3.31Å; K204-V207 PolarHBondContact O-N 2.87Å; K204-A252 WeakPolarHBondContact CB-O 3.32Å; K204-F373 HydrophobicContact CB-CE2 3.82Å; K204-F373 HydrophobicContact CB-CZ 4.28Å; K204-F373 HydrophobicContact CG-CE2 4Å; K204-Q374 PolarHBondContact O-NE2 2.92Å
205	L	93.2	Very high	92.5	Very high	36 Å²	36	43.8 Å²	43.8	19%	0.188	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	29.1	-175.3	-60.2	168	0	0	0	112.8	V207 Y245 A252 F373	L205-V207 PolarHBondContact O-N 2.86Å; L205-Y245 WeakPolarHBondContact O-CE2 3.39Å; L205-A252 HydrophobicContact CD2-CB 3.93Å; L205-F373 HydrophobicContact CD1-CE1 4.3Å; L205-F373 HydrophobicContact CD1-CZ 3.73Å; L205-F373 HydrophobicContact CG-CZ 4.05Å
206	G	94.1	Very high	92.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	21.6	-176.4	0	0	0	0	0	114.1	K204 R238 D248	K204-G206 PolarHBondContact O-N 2.93Å; G206-R238 PolarHBondContact O-N 2.8Å; G206-D248 WeakPolarHBondContact CA-OD2 3.37Å; G206-D248 PolarHBondContact N-OD2 3.41Å
207	V	95.5	Very high	92.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.4	178.5	-175.1	0	0	0	0	109.3	L203 K204 L205 A235 F236 Y237 Y365	L203-V207 WeakPolarHBondContact CA-O 3.34Å; L203-V207 HydrophobicContact CB-CB 4.35Å; L203-V207 HydrophobicContact CB-CG1 4.36Å; L203-V207 WeakPolarHBondContact CB-O 3.38Å; L203-V207 HydrophobicContact CD1-CG1 4.19Å; L203-V207 PolarHBondContact N-O 2.94Å; K204-V207 WeakPolarHBondContact O-CB 3.31Å; K204-V207 PolarHBondContact O-N 2.87Å; L205-V207 PolarHBondContact O-N 2.86Å; V207-A235 HydrophobicContact CG1-CB 3.74Å; V207-F236 CarbonylContact C-O 3.52Å; V207-F236 WeakPolarHBondContact CA-O 3.44Å; V207-F236 WeakPolarHBondContact CG1-O 3.37Å; V207-Y237 HydrophobicContact CG2-CD1 4.49Å; V207-Y365 HydrophobicContact CG1-CD2 4.27Å; V207-Y365 HydrophobicContact CG1-CG 4.22Å; V207-Y365 HydrophobicContact CG2-CD2 3.48Å; V207-Y365 VanDerWaalsContact CG2-CD2 3.48Å; V207-Y365 HydrophobicContact CG2-CE2 3.67Å; V207-Y365 HydrophobicContact CG2-CG 4.22Å
208	E	95.4	Very high	93.2	Very high	5 Å²	5	38.8 Å²	38.8	2%	0.023	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.4	174	55.9	179.8	-156.3	0	0	111.5	G200 V201 W210 A235 F236 R238	G200-E208 WeakPolarHBondContact CA-OE2 3.38Å; G200-E208 PolarHBondContact N-OE2 3.48Å; V201-E208 CarbonylContact O-C 3.45Å; V201-E208 VanDerWaalsContact O-CA 3.24Å; V201-E208 WeakPolarHBondContact O-CA 3.48Å; E208-W210 PolarHBondContact OE1-NE1 2.79Å; E208-A235 CarbonylContact O-C 3.53Å; E208-A235 WeakPolarHBondContact O-CA 3.31Å; E208-F236 PolarHBondContact N-O 3.09Å; E208-F236 PolarHBondContact O-N 3.24Å; E208-R238 HydrophobicContact CG-CB 4.1Å
209	L	95.6	Very high	93.6	Very high	9 Å²	9	28 Å²	28	5%	0.047	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.8	177.2	-169.4	64.8	0	0	0	109.8	V201 L203 H233 V378 Q381	V201-L209 HydrophobicContact CB-CB 4.18Å; V201-L209 PolarHBondContact N-O 3.36Å; V201-L209 PolarHBondContact O-N 2.85Å; L203-L209 HydrophobicContact CD1-CB 3.87Å; L203-L209 HydrophobicContact CD1-CD1 4.25Å; L203-L209 HydrophobicContact CD2-CB 4.13Å; L203-L209 HydrophobicContact CG-CB 3.97Å; L209-H233 HydrophobicContact CD1-CB 3.95Å; L209-H233 HydrophobicContact CD2-CB 4.47Å; L209-H233 HydrophobicContact CG-CB 4.3Å; L209-V378 HydrophobicContact CD1-CG1 4.27Å; L209-V378 HydrophobicContact CD1-CG2 4.01Å; L209-V378 HydrophobicContact CD2-CG1 4.38Å; L209-V378 HydrophobicContact CD2-CG2 4.34Å; L209-Q381 HydrophobicContact CD2-CB 3.87Å; L209-Q381 HydrophobicContact CD2-CG 3.94Å
210	W	95.5	Very high	93.9	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.019	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.4	172.8	-65.3	11.1	0	0	0	110.2	C186 V195 P196 E208 H233 A234 F236 K362	C186-W210 HydrophobicContact CB-CZ3 4.09Å; V195-W210 HydrophobicContact CB-CH2 4.26Å; V195-W210 HydrophobicContact CB-CZ3 4.25Å; V195-W210 HydrophobicContact CG1-CH2 4.04Å; V195-W210 HydrophobicContact CG2-CH2 4.01Å; V195-W210 HydrophobicContact CG2-CZ3 3.78Å; P196-W210 HydrophobicContact CG-CD2 4.21Å; P196-W210 HydrophobicContact CG-CG 4.12Å; P196-W210 HydrophobicContact CG-CZ2 4.45Å; E208-W210 PolarHBondContact OE1-NE1 2.79Å; W210-H233 VanDerWaalsContact O-CA 3.31Å; W210-H233 WeakPolarHBondContact O-CA 3.43Å; W210-A234 PolarHBondContact N-O 2.77Å; W210-A234 PolarHBondContact O-N 2.92Å; W210-A234 VanDerWaalsContact O-N 3.08Å; W210-F236 HydrophobicContact CB-CD2 3.61Å; W210-F236 HydrophobicContact CB-CE2 3.76Å; W210-F236 HydrophobicContact CD2-CB 4.01Å; W210-F236 HydrophobicContact CD2-CD1 4.18Å; W210-F236 AromaticContact CD2-CD2 3.45Å; W210-F236 HydrophobicContact CD2-CD2 3.45Å; W210-F236 VanDerWaalsContact CD2-CD2 3.45Å; W210-F236 AromaticContact CD2-CE2 3.91Å; W210-F236 HydrophobicContact CD2-CE2 3.91Å; W210-F236 AromaticContact CD2-CG 3.62Å; W210-F236 HydrophobicContact CD2-CG 3.62Å; W210-F236 HydrophobicContact CD2-CZ 4.46Å; W210-F236 AromaticContact CE2-CG 3.85Å; W210-F236 AromaticContact CE3-CD1 3.99Å; W210-F236 HydrophobicContact CE3-CD1 3.99Å; W210-F236 AromaticContact CE3-CD2 3.78Å; W210-F236 HydrophobicContact CE3-CD2 3.78Å; W210-F236 HydrophobicContact CE3-CE1 4.02Å; W210-F236 AromaticContact CE3-CE2 3.79Å; W210-F236 HydrophobicContact CE3-CE2 3.79Å; W210-F236 AromaticContact CE3-CG 3.89Å; W210-F236 HydrophobicContact CE3-CG 3.89Å; W210-F236 AromaticContact CE3-CZ 3.93Å; W210-F236 HydrophobicContact CE3-CZ 3.93Å; W210-F236 HydrophobicContact CG-CB 4.24Å; W210-F236 AromaticContact CG-CD2 3.39Å; W210-F236 HydrophobicContact CG-CD2 3.39Å; W210-F236 AromaticContact CG-CE2 3.94Å; W210-F236 HydrophobicContact CG-CE2 3.94Å; W210-F236 AromaticContact CG-CG 3.96Å; W210-F236 HydrophobicContact CG-CG 3.96Å; W210-F236 HydrophobicContact CH2-CD1 4.35Å; W210-F236 HydrophobicContact CZ2-CB 4.19Å; W210-F236 HydrophobicContact CZ2-CG 4.33Å; W210-F236 HydrophobicContact CZ3-CD1 4.08Å; W210-F236 HydrophobicContact CZ3-CE1 4.15Å; W210-F236 HydrophobicContact CZ3-CG 4.35Å; W210-F236 HydrophobicContact CZ3-CZ 4.46Å; W210-K362 HydrophobicContact CH2-CG 4.26Å
211	R	93.9	Very high	94	Very high	112 Å²	112	26.3 Å²	26.3	42%	0.423	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	144.5	173.6	-161.9	-175.1	-40.4	-160.1	5.9	109	E194 V231 M396	E194-R211 PolarHBondContact N-O 3.42Å; R211-V231 HydrophobicContact CG-CG1 3.72Å; R211-M396 HydrophobicContact CG-CE 4.06Å; R211-M396 HydrophobicContact CG-SD 4.16Å
212	G	94.5	Very high	93.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	171.4	179.6	0	0	0	0	0	112.5	A192 S232 M396	A192-G212 CarbonylContact O-C 3.53Å; A192-G212 WeakPolarHBondContact O-CA 3.24Å; G212-S232 PolarHBondContact N-O 2.7Å; G212-S232 PolarHBondContact O-N 3.42Å; G212-M396 WeakPolarHBondContact O-CE 3.39Å
213	L	95.1	Very high	93.5	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.037	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.5	178	-165.2	60.4	0	0	0	108.9	S191 A192 I215 I229 M396 A400	S191-L213 VanDerWaalsContact CA-O 3.32Å; S191-L213 WeakPolarHBondContact CA-O 3.42Å; A192-L213 PolarHBondContact N-O 2.96Å; A192-L213 PolarHBondContact O-N 3.18Å; L213-I215 HydrophobicContact CD2-CD1 3.78Å; L213-I215 HydrophobicContact CD2-CG1 4.14Å; L213-I215 HydrophobicContact CG-CD1 4.12Å; L213-I215 HydrophobicContact CG-CG1 3.9Å; L213-I229 HydrophobicContact CD1-CG2 3.38Å; L213-I229 HydrophobicContact CD2-CG2 4.3Å; L213-I229 HydrophobicContact CG-CG2 3.98Å; L213-M396 HydrophobicContact CB-CE 4.26Å; L213-M396 HydrophobicContact CD1-CB 3.84Å; L213-M396 HydrophobicContact CD2-CB 4.27Å; L213-M396 HydrophobicContact CG-CB 4.49Å; L213-A400 HydrophobicContact CD2-CB 4.39Å
214	F	96.3	Very high	93.2	Very high	21 Å²	21	28.8 Å²	28.8	9%	0.092	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.4	167	172.7	-87.2	0	0	0	108.9	N190 S216 I229 D230 H716	N190-F214 HydrophobicContact CB-CD2 4.07Å; N190-F214 HydrophobicContact CB-CE2 3.7Å; N190-F214 HydrophobicContact CB-CZ 4.37Å; N190-F214 WeakPolarHBondContact O-CA 3.32Å; F214-S216 VanDerWaalsContact CZ-CB 3.44Å; F214-I229 WeakPolarHBondContact O-CA 3.24Å; F214-D230 HydrophobicContact CB-CB 4.41Å; F214-D230 WeakPolarHBondContact CB-O 3.25Å; F214-D230 HydrophobicContact CD1-CB 4.4Å; F214-D230 PolarHBondContact N-O 2.81Å; F214-D230 PolarHBondContact O-N 3.14Å; F214-H716 HydrophobicContact CD1-CB 3.56Å; F214-H716 AromaticContact CD1-CD2 3.65Å; F214-H716 AromaticContact CD1-CG 3.36Å; F214-H716 AromaticContact CD1-ND1 3.77Å; F214-H716 AromaticContact CD2-CD2 3.67Å; F214-H716 AromaticContact CD2-CE1 3.78Å; F214-H716 AromaticContact CD2-NE2 3.5Å; F214-H716 HydrophobicContact CE1-CB 3.49Å; F214-H716 VanDerWaalsContact CE1-CB 3.49Å; F214-H716 AromaticContact CE1-CD2 3.41Å; F214-H716 VanDerWaalsContact CE1-CD2 3.41Å; F214-H716 WeakPolarHBondContact CE1-CD2 3.15Å; F214-H716 AromaticContact CE1-CG 3.45Å; F214-H716 VanDerWaalsContact CE1-CG 3.45Å; F214-H716 AromaticContact CE2-CD2 3.42Å; F214-H716 VanDerWaalsContact CE2-CD2 3.42Å; F214-H716 WeakPolarHBondContact CE2-CD2 3.42Å; F214-H716 AromaticContact CE2-NE2 3.55Å; F214-H716 HydrophobicContact CG-CB 4.38Å; F214-H716 AromaticContact CG-CD2 3.78Å; F214-H716 AromaticContact CG-CE1 3.74Å; F214-H716 AromaticContact CG-CG 3.7Å; F214-H716 AromaticContact CG-ND1 3.71Å; F214-H716 AromaticContact CG-NE2 3.85Å; F214-H716 HydrophobicContact CZ-CB 4.26Å; F214-H716 AromaticContact CZ-CD2 3.28Å; F214-H716 WeakPolarHBondContact CZ-CD2 3.3Å; F214-H716 AromaticContact CZ-CG 3.85Å; F214-H716 AromaticContact CZ-NE2 3.95Å
215	I	96	Very high	93.2	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.3	178.9	-54.5	-165.8	0	0	0	108.6	L170 N190 L213 V227 N228 L402	L170-I215 HydrophobicContact CB-CG2 4.27Å; L170-I215 HydrophobicContact CD1-CG2 3.86Å; L170-I215 HydrophobicContact CD2-CG2 4.45Å; L170-I215 HydrophobicContact CG-CG2 4.45Å; N190-I215 WeakPolarHBondContact CB-O 3.26Å; N190-I215 PolarHBondContact O-N 2.99Å; L213-I215 HydrophobicContact CD2-CD1 3.78Å; L213-I215 HydrophobicContact CD2-CG1 4.14Å; L213-I215 HydrophobicContact CG-CD1 4.12Å; L213-I215 HydrophobicContact CG-CG1 3.9Å; I215-V227 HydrophobicContact CG2-CG1 3.29Å; I215-N228 WeakPolarHBondContact CA-O 3.27Å; I215-L402 HydrophobicContact CD1-CD1 3.4Å; I215-L402 VanDerWaalsContact CD1-CD1 3.4Å; I215-L402 HydrophobicContact CD1-CD2 4.48Å; I215-L402 HydrophobicContact CD1-CG 4.42Å
216	S	95.3	Very high	93.3	Very high	1 Å²	1	25 Å²	25	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	130.7	174.2	-179.3	0	0	0	0	111.3	D167 F214 R218 N228	D167-S216 VanDerWaalsContact OD1-CA 3.23Å; D167-S216 WeakPolarHBondContact OD1-CA 3.39Å; F214-S216 VanDerWaalsContact CZ-CB 3.44Å; S216-R218 PolarHBondContact OG-NH2 2.91Å; S216-N228 PolarHBondContact N-O 2.8Å; S216-N228 PolarHBondContact O-N 2.94Å
217	A	95.2	Very high	93.4	Very high	4 Å²	4	25 Å²	25	3%	0.033	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141.7	171.3	0	0	0	0	0	110.8	I163 V166 D167 M226	I163-A217 HydrophobicContact CG2-CB 4.09Å; V166-A217 HydrophobicContact CB-CB 3.84Å; V166-A217 HydrophobicContact CG1-CB 3.6Å; D167-A217 PolarHBondContact OD1-N 3.43Å; A217-M226 CarbonylContact C-O 3.56Å; A217-M226 WeakPolarHBondContact CA-O 3.3Å
218	R	93.3	Very high	93.5	Very high	82 Å²	82	25.2 Å²	25.2	31%	0.309	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.7	179.6	-63.9	-65.9	159.7	-172.7	-9.7	109.2	F39 S216 M226 N228 E677	F39-R218 HydrophobicContact CE1-CB 3.97Å; F39-R218 HydrophobicContact CE1-CG 3.91Å; S216-R218 PolarHBondContact OG-NH2 2.91Å; R218-M226 PolarHBondContact N-O 2.78Å; R218-M226 PolarHBondContact O-N 2.72Å; R218-M226 VanDerWaalsContact O-O 3.05Å; R218-N228 HydrophobicContact CG-CB 4.28Å; R218-E677 IonicContact NH1-OE2 2.65Å; R218-E677 PolarHBondContact NH1-OE2 3.36Å; R218-E677 VanDerWaalsContact NH1-OE2 3.11Å
219	V	91.7	Very high	93.5	Very high	23 Å²	23	25 Å²	25	14%	0.139	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130	171.2	-175.4	0	0	0	0	107.8	F145 E159 I163	F145-V219 HydrophobicContact CB-CG1 4.09Å; F145-V219 HydrophobicContact CB-CG2 4.09Å; F145-V219 HydrophobicContact CD1-CG2 3.28Å; F145-V219 HydrophobicContact CE1-CG2 3.83Å; F145-V219 HydrophobicContact CG-CG2 3.8Å; E159-V219 HydrophobicContact CG-CG2 4Å; E159-V219 VanDerWaalsContact OE1-CB 3.24Å; E159-V219 WeakPolarHBondContact OE1-CB 3.31Å; E159-V219 WeakPolarHBondContact OE1-CG1 3.28Å; E159-V219 VanDerWaalsContact OE1-CG2 3.26Å; E159-V219 WeakPolarHBondContact OE1-CG2 3.25Å; I163-V219 HydrophobicContact CD1-CG2 4.18Å; I163-V219 HydrophobicContact CG1-CG2 4.31Å
220	G	91.2	Very high	93.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-161.7	173.2	0	0	0	0	0	113	G222 Y223 R224 R743 T745	G220-G222 PolarHBondContact O-N 3.26Å; G220-Y223 WeakPolarHBondContact O-CA 3.46Å; G220-Y223 PolarHBondContact O-N 3.1Å; G220-R224 PolarHBondContact N-O 2.81Å; G220-R224 PolarHBondContact O-N 3.39Å; G220-R743 WeakPolarHBondContact CA-O 3.16Å; G220-T745 CarbonylContact C-O 3.51Å; G220-T745 VanDerWaalsContact C-O 3.28Å; G220-T745 WeakPolarHBondContact CA-O 3.41Å
221	E	89.3	Confident	93.6	Very high	39 Å²	39	24.5 Å²	24.5	18%	0.182	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	135.1	-173.3	-168.2	-175.1	175.3	0	0	111.6	Y26 Y223 R224 R743 T745 L747	Y26-E221 PolarHBondContact OH-OE1 3.48Å; Y26-E221 VanDerWaalsContact OH-OE1 3.08Å; E221-Y223 VanDerWaalsContact C-N 3.33Å; E221-R224 WeakPolarHBondContact O-CG 3.14Å; E221-R224 PolarHBondContact O-NH1 3.01Å; E221-R224 VanDerWaalsContact O-NH1 3.08Å; E221-R743 PolarHBondContact N-O 2.9Å; E221-R743 PolarHBondContact OE2-N 3.2Å; E221-T745 PolarHBondContact N-O 3.48Å; E221-L747 HydrophobicContact CG-CD1 3.72Å
222	G	86.9	Confident	93.6	Very high	36 Å²	36	20 Å²	20	37%	0.371	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	20.9	-173.5	0	0	0	0	0	113.5	G220 R224	G220-G222 PolarHBondContact O-N 3.26Å; G222-R224 PolarHBondContact O-N 2.98Å
223	Y	88.3	Confident	93.6	Very high	28 Å²	28	21.9 Å²	21.9	11%	0.11	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	32.2	-179.8	-42.9	-62.6	0	0	0	113	F145 K146 V152 G153 G220 E221 P225 L747 D748	F145-Y223 WeakPolarHBondContact O-CB 3.42Å; K146-Y223 HydrophobicContact CB-CD2 3.79Å; K146-Y223 HydrophobicContact CB-CG 3.92Å; K146-Y223 HydrophobicContact CD-CD2 3.69Å; K146-Y223 HydrophobicContact CD-CE2 4.17Å; K146-Y223 HydrophobicContact CG-CD2 3.55Å; K146-Y223 HydrophobicContact CG-CE2 3.93Å; K146-Y223 HydrophobicContact CG-CG 4.17Å; V152-Y223 WeakPolarHBondContact CA-OH 3.13Å; G153-Y223 VanDerWaalsContact CA-CD1 3.44Å; G153-Y223 PolarHBondContact N-OH 2.87Å; G220-Y223 WeakPolarHBondContact O-CA 3.46Å; G220-Y223 PolarHBondContact O-N 3.1Å; E221-Y223 VanDerWaalsContact C-N 3.33Å; Y223-P225 WeakPolarHBondContact O-CD 3.3Å; Y223-L747 HydrophobicContact CD2-CD2 4.47Å; Y223-L747 HydrophobicContact CE1-CB 4.12Å; Y223-L747 HydrophobicContact CE1-CD2 4.15Å; Y223-L747 HydrophobicContact CE2-CD2 3.72Å; Y223-L747 WeakPolarHBondContact OH-CD2 3.25Å; Y223-D748 WeakPolarHBondContact CE1-OD2 3.25Å; Y223-D748 PolarHBondContact OH-OD1 2.87Å; Y223-D748 PolarHBondContact OH-OD2 2.99Å
224	R	88.2	Confident	93.5	Very high	107 Å²	107	21.9 Å²	21.9	40%	0.404	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.9	-177.2	-66.9	-175.7	-174.9	113.7	-5.8	109.2	G220 E221 G222	G220-R224 PolarHBondContact N-O 2.81Å; G220-R224 PolarHBondContact O-N 3.39Å; E221-R224 WeakPolarHBondContact O-CG 3.14Å; E221-R224 PolarHBondContact O-NH1 3.01Å; E221-R224 VanDerWaalsContact O-NH1 3.08Å; G222-R224 PolarHBondContact O-N 2.98Å
225	P	92.4	Very high	93.5	Very high	33 Å²	33	21.5 Å²	21.5	21%	0.214	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.3	174.1	29.6	-33	0	0	0	110.1	L42 F145 Y223	L42-P225 HydrophobicContact CB-CB 4.04Å; L42-P225 HydrophobicContact CB-CG 4.31Å; L42-P225 HydrophobicContact CD2-CB 4.02Å; L42-P225 PolarHBondContact N-O 3.38Å; F145-P225 HydrophobicContact CD2-CB 3.77Å; F145-P225 HydrophobicContact CD2-CG 3.95Å; F145-P225 HydrophobicContact CE2-CB 3.51Å; F145-P225 HydrophobicContact CE2-CG 3.91Å; F145-P225 HydrophobicContact CZ-CB 4.09Å; Y223-P225 WeakPolarHBondContact O-CD 3.3Å
226	M	95.3	Very high	93.4	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.025	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	166.2	-179.1	-71.3	-175.4	-77.6	0	0	109.6	F39 V40 E41 A217 R218 V420 R743 V744	F39-M226 HydrophobicContact CB-SD 4.28Å; F39-M226 HydrophobicContact CD1-CB 4.16Å; F39-M226 HydrophobicContact CD1-SD 4.43Å; V40-M226 CarbonylContact O-C 3.59Å; V40-M226 VanDerWaalsContact O-CA 3.25Å; V40-M226 WeakPolarHBondContact O-CA 3.49Å; V40-M226 WeakPolarHBondContact O-CB 3.5Å; E41-M226 HydrophobicContact CG-CG 4.48Å; A217-M226 CarbonylContact C-O 3.56Å; A217-M226 WeakPolarHBondContact CA-O 3.3Å; R218-M226 PolarHBondContact N-O 2.78Å; R218-M226 PolarHBondContact O-N 2.72Å; R218-M226 VanDerWaalsContact O-O 3.05Å; M226-V420 HydrophobicContact SD-CG1 4.45Å; M226-V420 HydrophobicContact SD-CG2 3.97Å; M226-R743 WeakPolarHBondContact CE-O 3.39Å; M226-V744 HydrophobicContact CE-CG1 4.34Å; M226-V744 HydrophobicContact SD-CG1 4.28Å
227	V	96.3	Very high	93.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.8	175.5	-174.9	0	0	0	0	108.3	F39 V40 L42 L170 I215 I229 I415	F39-V227 CarbonylContact C-O 3.59Å; F39-V227 WeakPolarHBondContact CA-O 3.33Å; V40-V227 HydrophobicContact CG2-CB 3.86Å; V40-V227 PolarHBondContact N-O 3.26Å; V40-V227 PolarHBondContact O-N 2.77Å; L42-V227 HydrophobicContact CB-CG2 4.19Å; L42-V227 HydrophobicContact CD1-CG2 3.94Å; L170-V227 HydrophobicContact CD1-CG1 3.96Å; L170-V227 HydrophobicContact CD1-CG2 3.84Å; I215-V227 HydrophobicContact CG2-CG1 3.29Å; V227-I229 HydrophobicContact CG1-CD1 4.39Å; V227-I229 HydrophobicContact CG1-CG1 3.88Å; V227-I415 HydrophobicContact CB-CD1 4.11Å; V227-I415 HydrophobicContact CG1-CD1 4.28Å; V227-I415 HydrophobicContact CG2-CD1 4.05Å; V227-I415 HydrophobicContact CG2-CG1 4.49Å
228	N	97	Very high	93.5	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.027	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.6	171.2	-175.3	-158.5	0	0	0	109.7	N38 F39 I215 S216 R218 H716 A717	N38-N228 PolarHBondContact ND2-ND2 3.42Å; N38-N228 VanDerWaalsContact ND2-ND2 3.18Å; N38-N228 PolarHBondContact O-ND2 3.42Å; N38-N228 PolarHBondContact OD1-ND2 3.01Å; F39-N228 HydrophobicContact CD1-CB 3.98Å; F39-N228 HydrophobicContact CE1-CB 3.75Å; F39-N228 HydrophobicContact CE2-CB 4.38Å; F39-N228 HydrophobicContact CG-CB 4.41Å; F39-N228 HydrophobicContact CZ-CB 3.96Å; I215-N228 WeakPolarHBondContact CA-O 3.27Å; S216-N228 PolarHBondContact N-O 2.8Å; S216-N228 PolarHBondContact O-N 2.94Å; R218-N228 HydrophobicContact CG-CB 4.28Å; N228-H716 WeakPolarHBondContact OD1-CA 3.43Å; N228-H716 WeakPolarHBondContact OD1-CB 3.38Å; N228-A717 PolarHBondContact OD1-N 3.42Å; N228-A717 VanDerWaalsContact OD1-N 3.1Å
229	I	96.3	Very high	93.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126	-176.9	-57.3	179.2	0	0	0	109.5	N38 V40 L213 F214 V227 C393 M397 I415	N38-I229 VanDerWaalsContact CB-O 3.29Å; N38-I229 WeakPolarHBondContact CB-O 3.22Å; N38-I229 PolarHBondContact ND2-O 2.96Å; N38-I229 PolarHBondContact O-N 3.11Å; V40-I229 HydrophobicContact CG1-CD1 4.33Å; V40-I229 HydrophobicContact CG2-CD1 3.59Å; V40-I229 HydrophobicContact CG2-CG1 4.27Å; L213-I229 HydrophobicContact CD1-CG2 3.38Å; L213-I229 HydrophobicContact CD2-CG2 4.3Å; L213-I229 HydrophobicContact CG-CG2 3.98Å; F214-I229 WeakPolarHBondContact O-CA 3.24Å; V227-I229 HydrophobicContact CG1-CD1 4.39Å; V227-I229 HydrophobicContact CG1-CG1 3.88Å; I229-C393 HydrophobicContact CG2-CB 4.34Å; I229-M397 HydrophobicContact CD1-CG 4Å; I229-M397 HydrophobicContact CD1-SD 3.32Å; I229-M397 WeakPolarHBondContact CD1-SD 3.41Å; I229-I415 HydrophobicContact CD1-CD1 4.07Å
230	D	96.9	Very high	93.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.4	-178.3	-165.3	29.5	0	0	0	112.5	F214 S232 R389 H716 R718	F214-D230 HydrophobicContact CB-CB 4.41Å; F214-D230 WeakPolarHBondContact CB-O 3.25Å; F214-D230 HydrophobicContact CD1-CB 4.4Å; F214-D230 PolarHBondContact N-O 2.81Å; F214-D230 PolarHBondContact O-N 3.14Å; D230-S232 PolarHBondContact O-N 2.88Å; D230-R389 IonicContact OD1-CZ 2.72Å; D230-R389 IonicContact OD1-NE 3.11Å; D230-R389 PolarHBondContact OD1-NE 2.93Å; D230-R389 IonicContact OD1-NH2 3.42Å; D230-R389 PolarHBondContact OD1-NH2 2.81Å; D230-R389 IonicContact OD2-CZ 2.78Å; D230-R389 IonicContact OD2-NH2 3.22Å; D230-R389 PolarHBondContact OD2-NH2 3.1Å; D230-H716 HydrophobicContact CB-CB 3.84Å; D230-H716 IonicContact OD2-CG 2.63Å; D230-H716 IonicContact OD2-ND1 2.61Å; D230-H716 PolarHBondContact OD2-ND1 3.42Å; D230-H716 VanDerWaalsContact OD2-ND1 3.12Å; D230-R718 IonicContact OD2-CZ 3.87Å; D230-R718 IonicContact OD2-NH2 2.92Å
231	V	95.5	Very high	93.9	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.2	173.1	-170	0	0	0	0	109.2	R211 H233 M384 R389 V392 C393 M396	R211-V231 HydrophobicContact CG-CG1 3.72Å; V231-H233 WeakPolarHBondContact CG1-CE1 3.44Å; V231-M384 HydrophobicContact CB-CE 4.31Å; V231-M384 HydrophobicContact CG1-CE 4.17Å; V231-M384 HydrophobicContact CG2-CE 4.36Å; V231-R389 HydrophobicContact CG2-CG 4.36Å; V231-R389 PolarHBondContact O-NH2 3.25Å; V231-V392 HydrophobicContact CG2-CB 4.14Å; V231-V392 HydrophobicContact CG2-CG1 3.66Å; V231-C393 VanDerWaalsContact CG2-SG 3.57Å; V231-C393 PolarHBondContact N-SG 2.67Å; V231-C393 VanDerWaalsContact N-SG 3.43Å; V231-M396 HydrophobicContact CG1-SD 4.19Å; V231-M396 HydrophobicContact CG2-SD 4.38Å
232	S	94.1	Very high	94.2	Very high	16 Å²	16	23.3 Å²	23.3	11%	0.112	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	153.3	174.8	-166.7	0	0	0	0	110.7	S191 Y193 G212 D230	S191-S232 PolarHBondContact OG-OG 3.49Å; Y193-S232 PolarHBondContact OH-OG 3.21Å; Y193-S232 VanDerWaalsContact OH-OG 3.06Å; G212-S232 PolarHBondContact N-O 2.7Å; G212-S232 PolarHBondContact O-N 3.42Å; D230-S232 PolarHBondContact O-N 2.88Å
233	H	94.1	Very high	94.7	Very high	41 Å²	41	22 Å²	22	19%	0.19	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.4	175.6	-59.8	80	0	0	0	109.8	L209 W210 V231 C382	L209-H233 HydrophobicContact CD1-CB 3.95Å; L209-H233 HydrophobicContact CD2-CB 4.47Å; L209-H233 HydrophobicContact CG-CB 4.3Å; W210-H233 VanDerWaalsContact O-CA 3.31Å; W210-H233 WeakPolarHBondContact O-CA 3.43Å; V231-H233 WeakPolarHBondContact CG1-CE1 3.44Å; H233-C382 VanDerWaalsContact CB-SG 3.58Å
234	A	94.1	Very high	95	Very high	7 Å²	7	23.3 Å²	23.3	6%	0.058	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	148	175.7	0	0	0	0	0	111	Y193 W210 F236	Y193-A234 HydrophobicContact CD1-CB 4.01Å; Y193-A234 HydrophobicContact CE1-CB 3.45Å; Y193-A234 VanDerWaalsContact CE1-CB 3.45Å; Y193-A234 HydrophobicContact CE2-CB 4.06Å; Y193-A234 VanDerWaalsContact CZ-CB 3.47Å; W210-A234 PolarHBondContact N-O 2.77Å; W210-A234 PolarHBondContact O-N 2.92Å; W210-A234 VanDerWaalsContact O-N 3.08Å; A234-F236 HydrophobicContact CB-CD2 4.45Å; A234-F236 HydrophobicContact CB-CE2 3.79Å; A234-F236 WeakPolarHBondContact O-CD2 3.43Å
235	A	95.3	Very high	95.4	Very high	12 Å²	12	18.5 Å²	18.5	10%	0.099	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.7	176	0	0	0	0	0	110.6	L203 V207 E208 R364 Y365 L370	L203-A235 HydrophobicContact CD1-CB 4.19Å; V207-A235 HydrophobicContact CG1-CB 3.74Å; E208-A235 CarbonylContact O-C 3.53Å; E208-A235 WeakPolarHBondContact O-CA 3.31Å; A235-R364 WeakPolarHBondContact O-CG 3.46Å; A235-Y365 WeakPolarHBondContact O-CB 3.3Å; A235-Y365 PolarHBondContact O-N 2.82Å; A235-L370 HydrophobicContact CB-CD2 4.08Å
236	F	95.7	Very high	95.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.5	176.3	-71.8	-99.7	0	0	0	109.4	C186 Y193 V207 E208 W210 A234 Q363 R364	C186-F236 HydrophobicContact CB-CE1 4.27Å; C186-F236 HydrophobicContact CB-CZ 4.44Å; Y193-F236 HydrophobicContact CD1-CE2 4.27Å; Y193-F236 HydrophobicContact CD2-CE2 4.13Å; Y193-F236 AromaticContact CD2-CZ 3.82Å; Y193-F236 HydrophobicContact CD2-CZ 3.82Å; Y193-F236 AromaticContact CG-CE2 3.84Å; Y193-F236 HydrophobicContact CG-CE2 3.84Å; Y193-F236 AromaticContact CG-CZ 3.92Å; Y193-F236 HydrophobicContact CG-CZ 3.92Å; V207-F236 CarbonylContact C-O 3.52Å; V207-F236 WeakPolarHBondContact CA-O 3.44Å; V207-F236 WeakPolarHBondContact CG1-O 3.37Å; E208-F236 PolarHBondContact N-O 3.09Å; E208-F236 PolarHBondContact O-N 3.24Å; W210-F236 HydrophobicContact CB-CD2 3.61Å; W210-F236 HydrophobicContact CB-CE2 3.76Å; W210-F236 HydrophobicContact CD2-CB 4.01Å; W210-F236 HydrophobicContact CD2-CD1 4.18Å; W210-F236 AromaticContact CD2-CD2 3.45Å; W210-F236 HydrophobicContact CD2-CD2 3.45Å; W210-F236 VanDerWaalsContact CD2-CD2 3.45Å; W210-F236 AromaticContact CD2-CE2 3.91Å; W210-F236 HydrophobicContact CD2-CE2 3.91Å; W210-F236 AromaticContact CD2-CG 3.62Å; W210-F236 HydrophobicContact CD2-CG 3.62Å; W210-F236 HydrophobicContact CD2-CZ 4.46Å; W210-F236 AromaticContact CE2-CG 3.85Å; W210-F236 AromaticContact CE3-CD1 3.99Å; W210-F236 HydrophobicContact CE3-CD1 3.99Å; W210-F236 AromaticContact CE3-CD2 3.78Å; W210-F236 HydrophobicContact CE3-CD2 3.78Å; W210-F236 HydrophobicContact CE3-CE1 4.02Å; W210-F236 AromaticContact CE3-CE2 3.79Å; W210-F236 HydrophobicContact CE3-CE2 3.79Å; W210-F236 AromaticContact CE3-CG 3.89Å; W210-F236 HydrophobicContact CE3-CG 3.89Å; W210-F236 AromaticContact CE3-CZ 3.93Å; W210-F236 HydrophobicContact CE3-CZ 3.93Å; W210-F236 HydrophobicContact CG-CB 4.24Å; W210-F236 AromaticContact CG-CD2 3.39Å; W210-F236 HydrophobicContact CG-CD2 3.39Å; W210-F236 AromaticContact CG-CE2 3.94Å; W210-F236 HydrophobicContact CG-CE2 3.94Å; W210-F236 AromaticContact CG-CG 3.96Å; W210-F236 HydrophobicContact CG-CG 3.96Å; W210-F236 HydrophobicContact CH2-CD1 4.35Å; W210-F236 HydrophobicContact CZ2-CB 4.19Å; W210-F236 HydrophobicContact CZ2-CG 4.33Å; W210-F236 HydrophobicContact CZ3-CD1 4.08Å; W210-F236 HydrophobicContact CZ3-CE1 4.15Å; W210-F236 HydrophobicContact CZ3-CG 4.35Å; W210-F236 HydrophobicContact CZ3-CZ 4.46Å; A234-F236 HydrophobicContact CB-CD2 4.45Å; A234-F236 HydrophobicContact CB-CE2 3.79Å; A234-F236 WeakPolarHBondContact O-CD2 3.43Å; F236-Q363 CarbonylContact C-O 3.49Å; F236-Q363 WeakPolarHBondContact CA-O 3.18Å; F236-R364 HydrophobicContact CD1-CB 4.23Å; F236-R364 HydrophobicContact CE1-CB 4Å; F236-R364 HydrophobicContact CZ-CB 4.48Å
237	Y	95.4	Very high	95.6	Very high	7 Å²	7	17.2 Å²	17.2	3%	0.027	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.2	166.8	-67.7	-79.2	0	0	0	109.1	V207 Y245 L285 Q363 Y365 A367	V207-Y237 HydrophobicContact CG2-CD1 4.49Å; Y237-Y245 AromaticContact CD1-CE2 3.98Å; Y237-Y245 HydrophobicContact CD1-CE2 3.98Å; Y237-Y245 HydrophobicContact CE1-CE2 4.21Å; Y237-Y245 WeakPolarHBondContact CE1-OH 3.36Å; Y237-L285 HydrophobicContact CD1-CD1 3.67Å; Y237-L285 HydrophobicContact CD2-CD1 3.81Å; Y237-L285 HydrophobicContact CE1-CD1 3.7Å; Y237-L285 HydrophobicContact CE2-CD1 3.81Å; Y237-L285 HydrophobicContact CG-CD1 3.71Å; Y237-Q363 HydrophobicContact CD2-CB 4.15Å; Y237-Q363 HydrophobicContact CD2-CG 3.65Å; Y237-Q363 HydrophobicContact CE2-CG 4.16Å; Y237-Q363 PolarHBondContact N-O 3.06Å; Y237-Y365 HydrophobicContact CD1-CD2 4.17Å; Y237-Y365 AromaticContact CE1-CD2 3.54Å; Y237-Y365 HydrophobicContact CE1-CD2 3.54Å; Y237-Y365 AromaticContact CE1-CE2 3.84Å; Y237-Y365 HydrophobicContact CE1-CE2 3.84Å; Y237-Y365 HydrophobicContact CE2-CD2 4.08Å; Y237-Y365 AromaticContact CZ-CD2 3.51Å; Y237-Y365 AromaticContact CZ-CE2 3.94Å; Y237-A367 VanDerWaalsContact OH-CB 3.23Å; Y237-A367 WeakPolarHBondContact OH-CB 3.47Å
238	R	95.4	Very high	95.6	Very high	84 Å²	84	18.9 Å²	18.9	32%	0.317	10%	0.101	S	C	.	.	P	Polyproline II helix	trans	-67	129.9	175.4	-178.6	178.4	-179.4	176.7	2.4	109.3	G206 E208 Q240	G206-R238 PolarHBondContact O-N 2.8Å; E208-R238 HydrophobicContact CG-CB 4.1Å; R238-Q240 PolarHBondContact O-N 3.28Å
239	P	93	Very high	95.5	Very high	49 Å²	49	19.2 Å²	19.2	32%	0.318	10%	0.103	S	C	.	.	P	Polyproline II helix	trans	-62.7	117.7	168.1	-22.2	34.6	0	0	0	110.7	E361	P239-E361 HydrophobicContact CB-CG 3.91Å; P239-E361 HydrophobicContact CG-CB 4.41Å; P239-E361 HydrophobicContact CG-CG 3.88Å
240	Q	95.3	Very high	95.4	Very high	26 Å²	26	20.3 Å²	20.3	12%	0.121	11%	0.109	C	C	.	.			trans	-166.4	170.8	179.9	58.1	-174.9	-27.3	0	0	111.3	R238 N244 D248 N358 V359	R238-Q240 PolarHBondContact O-N 3.28Å; Q240-N244 HydrophobicContact CB-CB 4.33Å; Q240-N244 HydrophobicContact CG-CB 4.39Å; Q240-N244 VanDerWaalsContact OE1-CB 3.32Å; Q240-D248 PolarHBondContact NE2-OD2 3.5Å; Q240-D248 PolarHBondContact OE1-OD2 3.36Å; Q240-N358 CarbonylContact O-C 3.18Å; Q240-N358 WeakPolarHBondContact O-CA 3.41Å; Q240-V359 HydrophobicContact CG-CG2 4.3Å; Q240-V359 PolarHBondContact O-N 3.02Å
241	S	96.7	Very high	95.3	Very high	28 Å²	28	21 Å²	21	20%	0.196	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-61.6	147.4	169.4	70	0	0	0	0	110.9	L243 N244 Y245 N358	S241-L243 PolarHBondContact O-N 2.97Å; S241-N244 PolarHBondContact O-N 2.61Å; S241-N244 VanDerWaalsContact O-N 3.13Å; S241-N244 WeakPolarHBondContact OG-CB 3.33Å; S241-N244 PolarHBondContact OG-N 3.34Å; S241-N244 VanDerWaalsContact OG-N 3.15Å; S241-N244 PolarHBondContact OG-ND2 2.97Å; S241-Y245 PolarHBondContact O-N 2.99Å; S241-N358 WeakPolarHBondContact CA-OD1 3.39Å
242	V	96.8	Very high	95.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-29	176.1	172.1	0	0	0	0	111	Y245 I246 V287 L341 V354 C357 V359	V242-Y245 WeakPolarHBondContact O-CB 3.4Å; V242-Y245 PolarHBondContact O-N 3.36Å; V242-I246 HydrophobicContact CG1-CD1 3.97Å; V242-I246 HydrophobicContact CG1-CG1 4.26Å; V242-I246 WeakPolarHBondContact O-CB 3.3Å; V242-I246 VanDerWaalsContact O-CG1 3.29Å; V242-I246 WeakPolarHBondContact O-CG1 3.15Å; V242-I246 PolarHBondContact O-N 3.31Å; V242-V287 HydrophobicContact CG2-CB 4.45Å; V242-V287 HydrophobicContact CG2-CG1 3.78Å; V242-L341 HydrophobicContact CG1-CD1 4.07Å; V242-L341 HydrophobicContact CG1-CD2 4.3Å; V242-L341 HydrophobicContact CG2-CD1 4.17Å; V242-V354 HydrophobicContact CG1-CB 4.15Å; V242-V354 HydrophobicContact CG1-CG1 3.97Å; V242-C357 HydrophobicContact CB-CB 4Å; V242-C357 HydrophobicContact CG2-CB 3.56Å; V242-C357 WeakPolarHBondContact CG2-O 3.5Å; V242-C357 PolarHBondContact N-O 3.23Å; V242-V359 HydrophobicContact CG2-CG2 4.23Å
243	L	95.7	Very high	94.7	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.047	14%	0.144	C	C	.	.	H	α-helix	trans	-58	-49.1	170.1	-71.4	173.8	0	0	0	112	S241 Y245 I246 C247 I261 I264 Y335 M338 V354 E355	S241-L243 PolarHBondContact O-N 2.97Å; L243-Y245 VanDerWaalsContact C-N 3.34Å; L243-Y245 PolarHBondContact O-N 3.15Å; L243-I246 WeakPolarHBondContact O-CB 3.47Å; L243-I246 PolarHBondContact O-N 3.03Å; L243-C247 PolarHBondContact O-N 3.13Å; L243-C247 PolarHBondContact O-SG 3.38Å; L243-C247 VanDerWaalsContact O-SG 3.42Å; L243-I261 HydrophobicContact CB-CD1 3.76Å; L243-I261 HydrophobicContact CB-CG1 4.32Å; L243-I261 HydrophobicContact CD1-CD1 4.18Å; L243-I264 HydrophobicContact CD2-CD1 4.09Å; L243-Y335 HydrophobicContact CD1-CD2 3.8Å; L243-Y335 HydrophobicContact CD1-CE2 3.65Å; L243-M338 HydrophobicContact CD2-CE 4.09Å; L243-V354 HydrophobicContact CD2-CB 4.3Å; L243-V354 HydrophobicContact CD2-CG2 3.66Å; L243-V354 HydrophobicContact CG-CG2 4.48Å; L243-E355 HydrophobicContact CD1-CB 3.95Å
244	N	96.2	Very high	94.5	Very high	56 Å²	56	31 Å²	31	30%	0.299	16%	0.16	S	C	.	.	H	α-helix	trans	-64.2	-39.5	175.9	-78	-25.3	0	0	0	112	Q240 S241 I246 C247 D248 I261	Q240-N244 HydrophobicContact CB-CB 4.33Å; Q240-N244 HydrophobicContact CG-CB 4.39Å; Q240-N244 VanDerWaalsContact OE1-CB 3.32Å; S241-N244 PolarHBondContact O-N 2.61Å; S241-N244 VanDerWaalsContact O-N 3.13Å; S241-N244 WeakPolarHBondContact OG-CB 3.33Å; S241-N244 PolarHBondContact OG-N 3.34Å; S241-N244 VanDerWaalsContact OG-N 3.15Å; S241-N244 PolarHBondContact OG-ND2 2.97Å; N244-I246 VanDerWaalsContact C-N 3.33Å; N244-I246 PolarHBondContact O-N 3.34Å; N244-C247 WeakPolarHBondContact O-CB 3.48Å; N244-C247 PolarHBondContact O-N 2.84Å; N244-D248 PolarHBondContact O-N 3.31Å; N244-I261 WeakPolarHBondContact OD1-CB 3.06Å; N244-I261 WeakPolarHBondContact OD1-CD1 3.33Å
245	Y	96.6	Very high	94	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.02	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-42.4	174.2	179.5	-106.8	0	0	0	112.3	L205 Y237 S241 V242 L243 D248 V249 A281 V282 L285 V359	L205-Y245 WeakPolarHBondContact O-CE2 3.39Å; Y237-Y245 AromaticContact CD1-CE2 3.98Å; Y237-Y245 HydrophobicContact CD1-CE2 3.98Å; Y237-Y245 HydrophobicContact CE1-CE2 4.21Å; Y237-Y245 WeakPolarHBondContact CE1-OH 3.36Å; S241-Y245 PolarHBondContact O-N 2.99Å; V242-Y245 WeakPolarHBondContact O-CB 3.4Å; V242-Y245 PolarHBondContact O-N 3.36Å; L243-Y245 VanDerWaalsContact C-N 3.34Å; L243-Y245 PolarHBondContact O-N 3.15Å; Y245-D248 PolarHBondContact O-N 3.46Å; Y245-V249 HydrophobicContact CD1-CG2 4.25Å; Y245-V249 HydrophobicContact CD2-CG2 4.32Å; Y245-V249 HydrophobicContact CE1-CG2 3.84Å; Y245-V249 HydrophobicContact CE2-CG2 3.89Å; Y245-V249 HydrophobicContact CG-CG2 4.48Å; Y245-V249 WeakPolarHBondContact O-CB 3.26Å; Y245-V249 VanDerWaalsContact O-CG2 3.28Å; Y245-V249 WeakPolarHBondContact O-CG2 3.31Å; Y245-V249 PolarHBondContact O-N 2.8Å; Y245-A281 HydrophobicContact CE1-CB 4.4Å; Y245-A281 PolarHBondContact OH-O 2.98Å; Y245-V282 HydrophobicContact CD1-CG1 4.32Å; Y245-V282 HydrophobicContact CE1-CG1 3.98Å; Y245-L285 HydrophobicContact CD1-CD2 4.03Å; Y245-L285 HydrophobicContact CE1-CD2 3.77Å; Y245-V359 HydrophobicContact CD2-CG2 4.35Å; Y245-V359 HydrophobicContact CG-CG2 4.04Å
246	I	95.7	Very high	93.7	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-47.6	174.9	-75	167.8	0	0	0	110.2	V242 L243 N244 D248 V249 L250 L270 I278 M338 V354	V242-I246 HydrophobicContact CG1-CD1 3.97Å; V242-I246 HydrophobicContact CG1-CG1 4.26Å; V242-I246 WeakPolarHBondContact O-CB 3.3Å; V242-I246 VanDerWaalsContact O-CG1 3.29Å; V242-I246 WeakPolarHBondContact O-CG1 3.15Å; V242-I246 PolarHBondContact O-N 3.31Å; L243-I246 WeakPolarHBondContact O-CB 3.47Å; L243-I246 PolarHBondContact O-N 3.03Å; N244-I246 VanDerWaalsContact C-N 3.33Å; N244-I246 PolarHBondContact O-N 3.34Å; I246-D248 PolarHBondContact O-N 3.11Å; I246-V249 PolarHBondContact O-N 3.15Å; I246-L250 HydrophobicContact CG2-CD1 3.96Å; I246-L250 HydrophobicContact CG2-CG 4.41Å; I246-L250 WeakPolarHBondContact O-CG 3.41Å; I246-L250 PolarHBondContact O-N 2.88Å; I246-L270 HydrophobicContact CG2-CD1 4.35Å; I246-I278 HydrophobicContact CB-CD1 4.1Å; I246-I278 HydrophobicContact CD1-CG2 4.3Å; I246-I278 HydrophobicContact CG1-CD1 4.02Å; I246-I278 HydrophobicContact CG1-CG1 4.36Å; I246-I278 HydrophobicContact CG1-CG2 3.97Å; I246-I278 HydrophobicContact CG2-CD1 3.86Å; I246-I278 HydrophobicContact CG2-CG1 4.08Å; I246-M338 HydrophobicContact CD1-CE 4.34Å; I246-M338 HydrophobicContact CG2-CE 4.37Å; I246-V354 HydrophobicContact CD1-CB 4.13Å; I246-V354 HydrophobicContact CD1-CG1 3.74Å; I246-V354 HydrophobicContact CD1-CG2 4.46Å
247	C	96.1	Very high	93.4	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-47.4	175.4	-65.9	0	0	0	0	111.7	L243 N244 V249 L250 N251	L243-C247 PolarHBondContact O-N 3.13Å; L243-C247 PolarHBondContact O-SG 3.38Å; L243-C247 VanDerWaalsContact O-SG 3.42Å; N244-C247 WeakPolarHBondContact O-CB 3.48Å; N244-C247 PolarHBondContact O-N 2.84Å; C247-V249 VanDerWaalsContact C-N 3.33Å; C247-V249 PolarHBondContact O-N 3.33Å; C247-L250 PolarHBondContact O-N 3.35Å; C247-N251 VanDerWaalsContact O-CB 3.25Å; C247-N251 WeakPolarHBondContact O-CB 3.39Å; C247-N251 PolarHBondContact O-N 2.89Å; C247-N251 PolarHBondContact O-ND2 3.36Å
248	D	95.4	Very high	93	Very high	36 Å²	36	50.7 Å²	50.7	19%	0.193	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-42.5	177.7	-82.3	-17.6	0	0	0	112.5	G206 Q240 N244 Y245 I246 A252	G206-D248 WeakPolarHBondContact CA-OD2 3.37Å; G206-D248 PolarHBondContact N-OD2 3.41Å; Q240-D248 PolarHBondContact NE2-OD2 3.5Å; Q240-D248 PolarHBondContact OE1-OD2 3.36Å; N244-D248 PolarHBondContact O-N 3.31Å; Y245-D248 PolarHBondContact O-N 3.46Å; I246-D248 PolarHBondContact O-N 3.11Å; D248-A252 PolarHBondContact O-N 2.81Å
249	V	94.5	Very high	92.8	Very high	11 Å²	11	49 Å²	49	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-44.7	179.1	170.8	0	0	0	0	111.1	Y245 I246 C247 N251 A252 I277 I278 A281	Y245-V249 HydrophobicContact CD1-CG2 4.25Å; Y245-V249 HydrophobicContact CD2-CG2 4.32Å; Y245-V249 HydrophobicContact CE1-CG2 3.84Å; Y245-V249 HydrophobicContact CE2-CG2 3.89Å; Y245-V249 HydrophobicContact CG-CG2 4.48Å; Y245-V249 WeakPolarHBondContact O-CB 3.26Å; Y245-V249 VanDerWaalsContact O-CG2 3.28Å; Y245-V249 WeakPolarHBondContact O-CG2 3.31Å; Y245-V249 PolarHBondContact O-N 2.8Å; I246-V249 PolarHBondContact O-N 3.15Å; C247-V249 VanDerWaalsContact C-N 3.33Å; C247-V249 PolarHBondContact O-N 3.33Å; V249-N251 VanDerWaalsContact C-N 3.35Å; V249-A252 PolarHBondContact O-N 3.2Å; V249-I277 HydrophobicContact CG1-CG2 3.77Å; V249-I278 HydrophobicContact CB-CD1 3.86Å; V249-I278 HydrophobicContact CG1-CD1 3.69Å; V249-A281 HydrophobicContact CB-CB 4.43Å; V249-A281 HydrophobicContact CG1-CB 3.64Å; V249-A281 HydrophobicContact CG2-CB 3.93Å
250	L	95.1	Very high	92.7	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.131	27%	0.265	C	S	.	.	H	α-helix	trans	-69.6	-32	178.9	-66.8	-179.7	0	0	0	112.7	I246 C247 Y259 L270 E274 I277 I278	I246-L250 HydrophobicContact CG2-CD1 3.96Å; I246-L250 HydrophobicContact CG2-CG 4.41Å; I246-L250 WeakPolarHBondContact O-CG 3.41Å; I246-L250 PolarHBondContact O-N 2.88Å; C247-L250 PolarHBondContact O-N 3.35Å; L250-Y259 HydrophobicContact CB-CD2 3.62Å; L250-Y259 HydrophobicContact CB-CE2 3.77Å; L250-Y259 HydrophobicContact CB-CG 4.19Å; L250-Y259 HydrophobicContact CD1-CD1 4.22Å; L250-Y259 HydrophobicContact CD1-CD2 4.47Å; L250-Y259 HydrophobicContact CD1-CE1 4.19Å; L250-Y259 HydrophobicContact CD1-CE2 4.47Å; L250-Y259 HydrophobicContact CD1-CG 4.38Å; L250-L270 HydrophobicContact CD1-CD2 3.92Å; L250-E274 HydrophobicContact CD1-CG 4.47Å; L250-E274 HydrophobicContact CD2-CB 3.88Å; L250-E274 HydrophobicContact CD2-CG 3.92Å; L250-I277 HydrophobicContact CD2-CB 4.49Å; L250-I277 HydrophobicContact CD2-CG2 4.32Å; L250-I278 HydrophobicContact CD2-CD1 3.93Å; L250-I278 HydrophobicContact CD2-CG1 4.01Å; L250-I278 HydrophobicContact CG-CD1 3.92Å; L250-I278 HydrophobicContact CG-CG1 4.29Å
251	N	94.6	Very high	92.4	Very high	16 Å²	16	49.7 Å²	49.7	9%	0.086	27%	0.271	C	S	.	.	H	α-helix	trans	-72.1	-32.4	174.7	-75.7	-37.2	0	0	0	112.6	C247 V249 D253 R254 P257 R258 Y259	C247-N251 VanDerWaalsContact O-CB 3.25Å; C247-N251 WeakPolarHBondContact O-CB 3.39Å; C247-N251 PolarHBondContact O-N 2.89Å; C247-N251 PolarHBondContact O-ND2 3.36Å; V249-N251 VanDerWaalsContact C-N 3.35Å; N251-D253 PolarHBondContact O-N 2.77Å; N251-R254 WeakPolarHBondContact O-CB 3.46Å; N251-R254 PolarHBondContact O-N 2.81Å; N251-P257 WeakPolarHBondContact ND2-CB 3.26Å; N251-R258 PolarHBondContact OD1-N 3.12Å; N251-Y259 PolarHBondContact ND2-O 2.92Å; N251-Y259 PolarHBondContact OD1-N 2.93Å
252	A	91	Very high	92.1	Very high	32 Å²	32	55.1 Å²	55.1	26%	0.264	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	-115.1	-173.2	0	0	0	0	0	112.5	K204 L205 D248 V249	K204-A252 WeakPolarHBondContact CB-O 3.32Å; L205-A252 HydrophobicContact CD2-CB 3.93Å; D248-A252 PolarHBondContact O-N 2.81Å; V249-A252 PolarHBondContact O-N 3.2Å
253	D	86.8	Confident	91.7	Very high	98 Å²	98	61 Å²	61	52%	0.524	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	8.4	176.6	65.1	-21.5	0	0	0	113.6	N251 S255 F373	N251-D253 PolarHBondContact O-N 2.77Å; D253-S255 PolarHBondContact O-N 2.86Å; D253-F373 HydrophobicContact CB-CD1 3.94Å; D253-F373 HydrophobicContact CB-CD2 4.03Å; D253-F373 HydrophobicContact CB-CE1 3.92Å; D253-F373 HydrophobicContact CB-CE2 4.03Å; D253-F373 HydrophobicContact CB-CG 4.02Å; D253-F373 HydrophobicContact CB-CZ 3.98Å
254	R	88.6	Confident	91.4	Very high	138 Å²	138	61.5 Å²	61.5	52%	0.521	33%	0.327	S	S	.	.			trans	-60.3	135.8	-179	-166.7	-171.1	-72.5	-131.3	-5.1	111.4	N251 P256	N251-R254 WeakPolarHBondContact O-CB 3.46Å; N251-R254 PolarHBondContact O-N 2.81Å; R254-P256 WeakPolarHBondContact CD-O 3.38Å; R254-P256 WeakPolarHBondContact CG-O 3.44Å
255	S	84.2	Confident	91.2	Very high	110 Å²	110	64.6 Å²	64.6	77%	0.769	34%	0.34	S	S	*	.	S	Bend	trans	-137.3	117.5	172.9	-170.5	0	0	0	0	109.4	D253	D253-S255 PolarHBondContact O-N 2.86Å
256	P	88.6	Confident	90.8	Very high	103 Å²	103	68 Å²	68	67%	0.669	36%	0.364	S	S	*	.	S	Bend	cis	-71.6	159.9	1.3	31.2	-35.8	0	0	0	113.3	R254	R254-P256 WeakPolarHBondContact CD-O 3.38Å; R254-P256 WeakPolarHBondContact CG-O 3.44Å
257	P	88.9	Confident	90.5	Very high	86 Å²	86	71.5 Å²	71.5	56%	0.558	38%	0.383	S	S	*	.			trans	-62.1	142.9	175.3	26.8	-33.9	0	0	0	111.1	N251	N251-P257 WeakPolarHBondContact ND2-CB 3.26Å
258	R	88.6	Confident	90.1	Very high	141 Å²	141	72.9 Å²	72.9	53%	0.532	39%	0.392	S	S	.	.	S	Bend	trans	-86.7	-33.1	175.6	178.3	177.9	-178.7	-165.3	6.3	112.3	N251 Q263	N251-R258 PolarHBondContact OD1-N 3.12Å; R258-Q263 PolarHBondContact O-OE1 3.08Å
259	Y	90.4	Very high	89.8	Confident	48 Å²	48	76 Å²	76	19%	0.188	40%	0.401	C	S	.	.			trans	-113.5	127.6	-177.1	-56.6	-91.8	0	0	0	109.5	L250 N251 E274	L250-Y259 HydrophobicContact CB-CD2 3.62Å; L250-Y259 HydrophobicContact CB-CE2 3.77Å; L250-Y259 HydrophobicContact CB-CG 4.19Å; L250-Y259 HydrophobicContact CD1-CD1 4.22Å; L250-Y259 HydrophobicContact CD1-CD2 4.47Å; L250-Y259 HydrophobicContact CD1-CE1 4.19Å; L250-Y259 HydrophobicContact CD1-CE2 4.47Å; L250-Y259 HydrophobicContact CD1-CG 4.38Å; N251-Y259 PolarHBondContact ND2-O 2.92Å; N251-Y259 PolarHBondContact OD1-N 2.93Å; Y259-E274 WeakPolarHBondContact CE1-OE1 3.43Å; Y259-E274 PolarHBondContact OH-OE1 2.77Å
260	S	91.5	Very high	89.6	Confident	44 Å²	44	76.6 Å²	76.6	31%	0.308	40%	0.403	S	S	.	.			trans	-122.4	155.9	164.2	-171.9	0	0	0	0	109.8	D262 Q263	S260-D262 PolarHBondContact O-N 2.84Å; S260-D262 PolarHBondContact OG-OD2 2.71Å; S260-Q263 PolarHBondContact O-N 3.48Å
261	I	88.9	Confident	89.4	Confident	47 Å²	47	78.4 Å²	78.4	24%	0.241	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-61.8	-32.5	174.6	-163.6	162.6	0	0	0	111.9	L243 N244 Q263 I264	L243-I261 HydrophobicContact CB-CD1 3.76Å; L243-I261 HydrophobicContact CB-CG1 4.32Å; L243-I261 HydrophobicContact CD1-CD1 4.18Å; N244-I261 WeakPolarHBondContact OD1-CB 3.06Å; N244-I261 WeakPolarHBondContact OD1-CD1 3.33Å; I261-Q263 PolarHBondContact O-N 2.88Å; I261-I264 HydrophobicContact CG1-CD1 4.3Å; I261-I264 WeakPolarHBondContact O-CB 3.48Å; I261-I264 PolarHBondContact O-N 3.29Å; I261-I264 VanDerWaalsContact O-N 3.09Å
262	D	89.7	Confident	89.2	Confident	142 Å²	142	83.6 Å²	83.6	76%	0.759	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-69.1	-17.4	-179.8	-45	-63.2	0	0	0	113.1	S260	S260-D262 PolarHBondContact O-N 2.84Å; S260-D262 PolarHBondContact OG-OD2 2.71Å
263	Q	88	Confident	89.2	Confident	122 Å²	122	84 Å²	84	57%	0.57	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-90.8	-7.1	176.8	-65.4	173.2	-22.1	0	0	112.4	R258 S260 I261 Q265	R258-Q263 PolarHBondContact O-OE1 3.08Å; S260-Q263 PolarHBondContact O-N 3.48Å; I261-Q263 PolarHBondContact O-N 2.88Å; Q263-Q265 PolarHBondContact O-N 2.9Å
264	I	89.4	Confident	89.5	Confident	20 Å²	20	80.8 Å²	80.8	10%	0.103	44%	0.435	C	S	.	.			trans	-77.2	117.3	177.8	-54.9	-178.8	0	0	0	108.1	L243 I261 T268 Y335	L243-I264 HydrophobicContact CD2-CD1 4.09Å; I261-I264 HydrophobicContact CG1-CD1 4.3Å; I261-I264 WeakPolarHBondContact O-CB 3.48Å; I261-I264 PolarHBondContact O-N 3.29Å; I261-I264 VanDerWaalsContact O-N 3.09Å; I264-T268 HydrophobicContact CG2-CG2 4.34Å; I264-Y335 HydrophobicContact CB-CD1 4.45Å; I264-Y335 HydrophobicContact CB-CE1 4.22Å; I264-Y335 HydrophobicContact CG2-CD1 3.52Å; I264-Y335 HydrophobicContact CG2-CD2 4.42Å; I264-Y335 HydrophobicContact CG2-CE1 3.78Å; I264-Y335 HydrophobicContact CG2-CG 3.87Å; I264-Y335 VanDerWaalsContact O-CE1 3.31Å; I264-Y335 WeakPolarHBondContact O-CE1 3.44Å
265	Q	92.3	Very high	89.7	Confident	121 Å²	121	76.3 Å²	76.3	57%	0.565	42%	0.422	S	S	*	.			trans	-102.3	164.8	175.4	-62.5	-178	-0.7	0	0	110	Q263 N267 T268	Q263-Q265 PolarHBondContact O-N 2.9Å; Q265-N267 WeakPolarHBondContact CB-OD1 3.34Å; Q265-N267 PolarHBondContact O-N 3.37Å; Q265-N267 PolarHBondContact OE1-OD1 3.01Å; Q265-T268 PolarHBondContact N-OG1 3.08Å; Q265-T268 WeakPolarHBondContact O-CB 3.49Å; Q265-T268 PolarHBondContact O-N 3.49Å; Q265-T268 PolarHBondContact O-OG1 2.7Å
266	S	88.4	Confident	90.1	Very high	76 Å²	76	78.1 Å²	78.1	53%	0.531	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.9	177.5	60.9	0	0	0	0	112.9	R334	S266-R334 VanDerWaalsContact CA-O 3.26Å; S266-R334 WeakPolarHBondContact CA-O 3.05Å; S266-R334 WeakPolarHBondContact CB-O 3.22Å
267	N	88.4	Confident	90.2	Very high	77 Å²	77	77.4 Å²	77.4	41%	0.412	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	0.5	-179.8	83	-13.8	0	0	0	112.7	Q265 R269 R337	Q265-N267 WeakPolarHBondContact CB-OD1 3.34Å; Q265-N267 PolarHBondContact O-N 3.37Å; Q265-N267 PolarHBondContact OE1-OD1 3.01Å; N267-R269 PolarHBondContact O-N 2.71Å; N267-R337 VanDerWaalsContact C-NE 3.3Å; N267-R337 VanDerWaalsContact CB-CZ 3.48Å; N267-R337 VanDerWaalsContact CB-NH2 3.29Å; N267-R337 PolarHBondContact O-NE 3.26Å; N267-R337 PolarHBondContact O-NH2 2.52Å
268	T	89.5	Confident	90.4	Very high	38 Å²	38	73.3 Å²	73.3	23%	0.233	38%	0.378	C	S	.	.			trans	-61.9	130	179.7	-62.3	0	0	0	0	111.5	I264 Q265 M338	I264-T268 HydrophobicContact CG2-CG2 4.34Å; Q265-T268 PolarHBondContact N-OG1 3.08Å; Q265-T268 WeakPolarHBondContact O-CB 3.49Å; Q265-T268 PolarHBondContact O-N 3.49Å; Q265-T268 PolarHBondContact O-OG1 2.7Å; T268-M338 HydrophobicContact CG2-SD 4.31Å
269	R	88.6	Confident	90.6	Very high	101 Å²	101	67.3 Å²	67.3	38%	0.381	36%	0.36	S	S	.	.			trans	-127.2	138.2	176.2	-73.5	177.3	178.5	-86.2	0.5	108.6	N267 D306 R337	N267-R269 PolarHBondContact O-N 2.71Å; R269-D306 IonicContact CZ-OD2 3.48Å; R269-D306 IonicContact NH1-OD2 2.81Å; R269-D306 PolarHBondContact NH1-OD2 3.01Å; R269-D306 IonicContact NH2-OD2 2.83Å; R269-R337 HydrophobicContact CG-CB 3.63Å
270	L	89.7	Confident	90.5	Very high	24 Å²	24	72.8 Å²	72.8	13%	0.126	38%	0.381	C	S	.	.			trans	-83.5	140.6	171.4	-61.5	-177.1	0	0	0	109.6	I246 L250 E274 L275 I278 M338 P339	I246-L270 HydrophobicContact CG2-CD1 4.35Å; L250-L270 HydrophobicContact CD1-CD2 3.92Å; L270-E274 WeakPolarHBondContact CA-OE2 3.5Å; L270-E274 HydrophobicContact CB-CB 4.05Å; L270-E274 HydrophobicContact CD2-CB 4.42Å; L270-L275 HydrophobicContact CB-CD2 3.93Å; L270-L275 HydrophobicContact CB-CG 4.01Å; L270-L275 HydrophobicContact CD1-CD2 4.2Å; L270-I278 HydrophobicContact CD1-CG1 4.3Å; L270-M338 HydrophobicContact CD1-CE 4.15Å; L270-M338 HydrophobicContact CD2-SD 4.46Å; L270-M338 HydrophobicContact CG-CE 4.28Å; L270-M338 HydrophobicContact CG-SD 4.1Å; L270-P339 HydrophobicContact CD1-CG 4.16Å
271	S	91.5	Very high	90.5	Very high	63 Å²	63	71.7 Å²	71.7	44%	0.441	37%	0.374	S	S	.	.			trans	-67.2	160.2	169.6	63.5	0	0	0	0	111.5	G273 E274 L275	S271-G273 PolarHBondContact O-N 2.98Å; S271-E274 WeakPolarHBondContact CB-OE2 3.24Å; S271-E274 PolarHBondContact N-OE2 2.61Å; S271-E274 PolarHBondContact O-N 2.8Å; S271-E274 VanDerWaalsContact OG-CG 3.28Å; S271-E274 WeakPolarHBondContact OG-CG 3.3Å; S271-E274 PolarHBondContact OG-N 2.81Å; S271-E274 PolarHBondContact OG-OE2 2.65Å; S271-L275 WeakPolarHBondContact O-CG 3.31Å; S271-L275 PolarHBondContact O-N 2.8Å
272	D	89.6	Confident	90.7	Very high	124 Å²	124	69.4 Å²	69.4	66%	0.663	36%	0.363	S	S	*	.	H	α-helix	trans	-57.8	-33.6	178.7	-66.4	-28	0	0	0	113.1	K276	D272-K276 WeakPolarHBondContact O-CG 3.24Å; D272-K276 PolarHBondContact O-N 3.32Å
273	G	91.9	Very high	90.8	Very high	42 Å²	42	69.3 Å²	69.3	43%	0.433	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-44.7	175.1	0	0	0	0	0	112.4	S271 K276 I277	S271-G273 PolarHBondContact O-N 2.98Å; G273-K276 PolarHBondContact O-N 2.83Å; G273-I277 WeakPolarHBondContact O-CG1 3.34Å; G273-I277 PolarHBondContact O-N 3.38Å; G273-I277 VanDerWaalsContact O-N 3.13Å
274	E	93.3	Very high	90.8	Very high	29 Å²	29	64.4 Å²	64.4	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-42.2	176.5	-68.7	162.1	147.8	0	0	111.2	L250 Y259 L270 S271 K276 I277 I278	L250-E274 HydrophobicContact CD1-CG 4.47Å; L250-E274 HydrophobicContact CD2-CB 3.88Å; L250-E274 HydrophobicContact CD2-CG 3.92Å; Y259-E274 WeakPolarHBondContact CE1-OE1 3.43Å; Y259-E274 PolarHBondContact OH-OE1 2.77Å; L270-E274 WeakPolarHBondContact CA-OE2 3.5Å; L270-E274 HydrophobicContact CB-CB 4.05Å; L270-E274 HydrophobicContact CD2-CB 4.42Å; S271-E274 WeakPolarHBondContact CB-OE2 3.24Å; S271-E274 PolarHBondContact N-OE2 2.61Å; S271-E274 PolarHBondContact O-N 2.8Å; S271-E274 VanDerWaalsContact OG-CG 3.28Å; S271-E274 WeakPolarHBondContact OG-CG 3.3Å; S271-E274 PolarHBondContact OG-N 2.81Å; S271-E274 PolarHBondContact OG-OE2 2.65Å; E274-K276 VanDerWaalsContact C-N 3.3Å; E274-K276 PolarHBondContact O-N 3.04Å; E274-I277 PolarHBondContact O-N 3.5Å; E274-I277 VanDerWaalsContact O-N 3.13Å; E274-I278 WeakPolarHBondContact O-CG1 3.48Å; E274-I278 PolarHBondContact O-N 3.4Å
275	L	92.7	Very high	91	Very high	45 Å²	45	63.5 Å²	63.5	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-41.8	174.5	-70.5	174.5	0	0	0	111.5	L270 S271 I277 I278 G279 I303 P339	L270-L275 HydrophobicContact CB-CD2 3.93Å; L270-L275 HydrophobicContact CB-CG 4.01Å; L270-L275 HydrophobicContact CD1-CD2 4.2Å; S271-L275 WeakPolarHBondContact O-CG 3.31Å; S271-L275 PolarHBondContact O-N 2.8Å; L275-I277 PolarHBondContact O-N 3.29Å; L275-I278 PolarHBondContact O-N 3.42Å; L275-G279 PolarHBondContact O-N 3.48Å; L275-I303 HydrophobicContact CB-CD1 3.95Å; L275-I303 HydrophobicContact CD2-CD1 4.01Å; L275-I303 WeakPolarHBondContact O-CD1 3.36Å; L275-P339 HydrophobicContact CD2-CB 3.86Å; L275-P339 HydrophobicContact CD2-CG 3.79Å
276	K	91.4	Very high	91.1	Very high	147 Å²	147	60.2 Å²	60.2	64%	0.639	32%	0.316	S	S	*	.	H	α-helix	trans	-62.5	-41.9	174.7	-75.9	174.2	-176.3	177.8	0	112.4	D272 G273 E274 R280	D272-K276 WeakPolarHBondContact O-CG 3.24Å; D272-K276 PolarHBondContact O-N 3.32Å; G273-K276 PolarHBondContact O-N 2.83Å; E274-K276 VanDerWaalsContact C-N 3.3Å; E274-K276 PolarHBondContact O-N 3.04Å; K276-R280 WeakPolarHBondContact O-CG 3.4Å; K276-R280 PolarHBondContact O-N 3.37Å
277	I	92	Very high	91.3	Very high	88 Å²	88	56.6 Å²	56.6	45%	0.451	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-51.1	177.9	-67.3	166.5	0	0	0	110.2	V249 L250 G273 E274 L275 R280 A281	V249-I277 HydrophobicContact CG1-CG2 3.77Å; L250-I277 HydrophobicContact CD2-CB 4.49Å; L250-I277 HydrophobicContact CD2-CG2 4.32Å; G273-I277 WeakPolarHBondContact O-CG1 3.34Å; G273-I277 PolarHBondContact O-N 3.38Å; G273-I277 VanDerWaalsContact O-N 3.13Å; E274-I277 PolarHBondContact O-N 3.5Å; E274-I277 VanDerWaalsContact O-N 3.13Å; L275-I277 PolarHBondContact O-N 3.29Å; I277-R280 PolarHBondContact O-N 3.3Å; I277-A281 PolarHBondContact O-N 2.91Å
278	I	92.9	Very high	91.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-45.7	179.7	-66.5	-50.4	0	0	0	111.3	I246 V249 L250 L270 E274 L275 R280 A281 V282 I303	I246-I278 HydrophobicContact CB-CD1 4.1Å; I246-I278 HydrophobicContact CD1-CG2 4.3Å; I246-I278 HydrophobicContact CG1-CD1 4.02Å; I246-I278 HydrophobicContact CG1-CG1 4.36Å; I246-I278 HydrophobicContact CG1-CG2 3.97Å; I246-I278 HydrophobicContact CG2-CD1 3.86Å; I246-I278 HydrophobicContact CG2-CG1 4.08Å; V249-I278 HydrophobicContact CB-CD1 3.86Å; V249-I278 HydrophobicContact CG1-CD1 3.69Å; L250-I278 HydrophobicContact CD2-CD1 3.93Å; L250-I278 HydrophobicContact CD2-CG1 4.01Å; L250-I278 HydrophobicContact CG-CD1 3.92Å; L250-I278 HydrophobicContact CG-CG1 4.29Å; L270-I278 HydrophobicContact CD1-CG1 4.3Å; E274-I278 WeakPolarHBondContact O-CG1 3.48Å; E274-I278 PolarHBondContact O-N 3.4Å; L275-I278 PolarHBondContact O-N 3.42Å; I278-R280 PolarHBondContact O-N 3.13Å; I278-A281 PolarHBondContact O-N 3.43Å; I278-V282 HydrophobicContact CG2-CG1 3.99Å; I278-V282 WeakPolarHBondContact O-CG2 3.14Å; I278-V282 PolarHBondContact O-N 2.83Å; I278-I303 HydrophobicContact CG2-CG2 4.39Å
279	G	92.2	Very high	91.7	Very high	15 Å²	15	53.3 Å²	53.3	16%	0.155	27%	0.273	C	S	.	.	H	α-helix	trans	-55.9	-36.8	178.8	0	0	0	0	0	112.9	L275	L275-G279 PolarHBondContact O-N 3.48Å
280	R	89.4	Confident	92	Very high	164 Å²	164	52 Å²	52	62%	0.619	28%	0.276	S	S	*	.	H	α-helix	trans	-70.3	-45	172.3	-69.7	173.7	-175.4	-169.7	-0.7	112	K276 I277 I278 K283	K276-R280 WeakPolarHBondContact O-CG 3.4Å; K276-R280 PolarHBondContact O-N 3.37Å; I277-R280 PolarHBondContact O-N 3.3Å; I278-R280 PolarHBondContact O-N 3.13Å; R280-K283 PolarHBondContact O-N 2.96Å
281	A	91.4	Very high	92	Very high	20 Å²	20	52.1 Å²	52.1	17%	0.165	28%	0.276	C	S	.	.	H	α-helix	trans	-69.9	-30.6	-175.3	0	0	0	0	0	114.4	Y245 V249 I277 I278	Y245-A281 HydrophobicContact CE1-CB 4.4Å; Y245-A281 PolarHBondContact OH-O 2.98Å; V249-A281 HydrophobicContact CB-CB 4.43Å; V249-A281 HydrophobicContact CG1-CB 3.64Å; V249-A281 HydrophobicContact CG2-CB 3.93Å; I277-A281 PolarHBondContact O-N 2.91Å; I278-A281 PolarHBondContact O-N 3.43Å
282	V	93.2	Very high	91.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-87.6	-15.2	178.4	-57.8	0	0	0	0	113	Y245 I278 G284 L285 I300 I303 L341	Y245-V282 HydrophobicContact CD1-CG1 4.32Å; Y245-V282 HydrophobicContact CE1-CG1 3.98Å; I278-V282 HydrophobicContact CG2-CG1 3.99Å; I278-V282 WeakPolarHBondContact O-CG2 3.14Å; I278-V282 PolarHBondContact O-N 2.83Å; V282-G284 PolarHBondContact O-N 3.41Å; V282-G284 VanDerWaalsContact O-N 3.15Å; V282-L285 WeakPolarHBondContact O-CB 3.5Å; V282-L285 PolarHBondContact O-N 3.14Å; V282-I300 HydrophobicContact CB-CG2 4.07Å; V282-I300 HydrophobicContact CG2-CG2 3.76Å; V282-I300 WeakPolarHBondContact O-CB 3.29Å; V282-I303 HydrophobicContact CG2-CG2 3.69Å; V282-L341 HydrophobicContact CB-CD2 4.35Å; V282-L341 HydrophobicContact CG1-CD2 4.19Å; V282-L341 HydrophobicContact CG2-CD2 4.23Å
283	K	91	Very high	91.2	Very high	140 Å²	140	58 Å²	58	61%	0.609	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	119.8	-177.5	-172.3	175	-177.5	-179.8	0	110.9	R280 L285	R280-K283 PolarHBondContact O-N 2.96Å; K283-L285 VanDerWaalsContact C-N 3.27Å
284	G	89.2	Confident	90.2	Very high	19 Å²	19	57.6 Å²	57.6	20%	0.196	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-7.8	-176.3	0	0	0	0	0	114.5	V282 I300	V282-G284 PolarHBondContact O-N 3.41Å; V282-G284 VanDerWaalsContact O-N 3.15Å; G284-I300 WeakPolarHBondContact CA-O 3.38Å; G284-I300 PolarHBondContact N-O 2.85Å
285	L	93.3	Very high	89.2	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.3	C	S	.	.			trans	-62.5	138.1	173.5	-169.4	69.2	0	0	0	109.6	Y237 Y245 V282 K283 V287 I300 V359	Y237-L285 HydrophobicContact CD1-CD1 3.67Å; Y237-L285 HydrophobicContact CD2-CD1 3.81Å; Y237-L285 HydrophobicContact CE1-CD1 3.7Å; Y237-L285 HydrophobicContact CE2-CD1 3.81Å; Y237-L285 HydrophobicContact CG-CD1 3.71Å; Y245-L285 HydrophobicContact CD1-CD2 4.03Å; Y245-L285 HydrophobicContact CE1-CD2 3.77Å; V282-L285 WeakPolarHBondContact O-CB 3.5Å; V282-L285 PolarHBondContact O-N 3.14Å; K283-L285 VanDerWaalsContact C-N 3.27Å; L285-V287 HydrophobicContact CD2-CG1 4.08Å; L285-V287 HydrophobicContact CG-CG1 4.28Å; L285-I300 WeakPolarHBondContact O-CG1 3.34Å; L285-I300 PolarHBondContact O-N 2.96Å; L285-V359 HydrophobicContact CD1-CG1 4.03Å; L285-V359 HydrophobicContact CD2-CG2 4.18Å
286	R	92.8	Very high	88.6	Confident	52 Å²	52	56.9 Å²	56.9	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.5	168.3	-64.2	-178.7	-67.2	162.3	-3.3	110.2	Y298 A360 Q363	R286-Y298 CarbonylContact C-O 3.41Å; R286-Y298 VanDerWaalsContact CA-O 3.3Å; R286-Y298 WeakPolarHBondContact CA-O 3.43Å; R286-A360 HydrophobicContact CB-CB 3.83Å; R286-A360 VanDerWaalsContact O-CB 3.24Å; R286-A360 WeakPolarHBondContact O-CB 3.28Å; R286-A360 PolarHBondContact O-N 2.91Å; R286-Q363 PolarHBondContact O-NE2 2.76Å; R286-Q363 VanDerWaalsContact O-NE2 3.12Å
287	V	94.5	Very high	88.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149	177.6	-56.6	0	0	0	0	110.8	V242 L285 Q297 Y298 I300 L341 L352 C357 N358	V242-V287 HydrophobicContact CG2-CB 4.45Å; V242-V287 HydrophobicContact CG2-CG1 3.78Å; L285-V287 HydrophobicContact CD2-CG1 4.08Å; L285-V287 HydrophobicContact CG-CG1 4.28Å; V287-Q297 CarbonylContact O-C 3.54Å; V287-Q297 VanDerWaalsContact O-CA 3.27Å; V287-Q297 WeakPolarHBondContact O-CA 3.45Å; V287-Y298 PolarHBondContact N-O 3.21Å; V287-Y298 PolarHBondContact O-N 3.38Å; V287-I300 HydrophobicContact CG1-CG1 4.03Å; V287-I300 HydrophobicContact CG2-CD1 3.57Å; V287-I300 HydrophobicContact CG2-CG1 3.96Å; V287-L341 HydrophobicContact CG1-CD1 4.15Å; V287-L341 HydrophobicContact CG2-CD1 4.16Å; V287-L352 HydrophobicContact CG2-CD1 4.41Å; V287-C357 HydrophobicContact CB-CB 4.46Å; V287-C357 HydrophobicContact CG2-CB 4.5Å; V287-N358 CarbonylContact C-O 3.59Å; V287-N358 WeakPolarHBondContact CA-O 3.33Å; V287-N358 WeakPolarHBondContact CB-O 3.46Å
288	T	93.4	Very high	88.4	Confident	35 Å²	35	48.2 Å²	48.2	22%	0.215	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	164.2	165.2	54.6	0	0	0	0	109.6	Q297 C357 N358	T288-Q297 HydrophobicContact CG2-CG 3.71Å; T288-C357 WeakPolarHBondContact O-CA 3.42Å; T288-N358 PolarHBondContact N-O 3.42Å; T288-N358 PolarHBondContact O-N 2.82Å
289	V	93	Very high	88.3	Confident	10 Å²	10	55.9 Å²	55.9	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148	178.8	-63.7	0	0	0	0	111.3	R292 Y298 L352 V356	V289-R292 HydrophobicContact CG2-CB 4.3Å; V289-Y298 HydrophobicContact CG1-CD2 3.94Å; V289-Y298 HydrophobicContact CG1-CE2 3.74Å; V289-Y298 HydrophobicContact CG2-CE2 4.09Å; V289-L352 HydrophobicContact CG1-CD1 3.98Å; V289-L352 HydrophobicContact CG1-CD2 4.01Å; V289-V356 CarbonylContact C-O 3.59Å; V289-V356 VanDerWaalsContact CA-O 3.24Å; V289-V356 WeakPolarHBondContact CA-O 3.47Å
290	T	93.1	Very high	88.4	Confident	75 Å²	75	55.2 Å²	55.2	46%	0.46	27%	0.27	S	S	.	.	S	Bend	trans	-101.8	-23.8	-179.6	56.9	0	0	0	0	113.7	R292 V356 N358	T290-R292 PolarHBondContact O-N 2.74Å; T290-V356 PolarHBondContact N-O 2.83Å; T290-V356 VanDerWaalsContact OG1-CA 3.3Å; T290-V356 WeakPolarHBondContact OG1-CA 3.48Å; T290-V356 PolarHBondContact OG1-O 3.5Å; T290-N358 VanDerWaalsContact CG2-ND2 3.29Å; T290-N358 WeakPolarHBondContact CG2-ND2 3.28Å
291	H	90.8	Very high	88.5	Confident	25 Å²	25	50 Å²	50	12%	0.116	25%	0.254	C	S	.	.	S	Bend	trans	-75.6	-4.1	-178.7	68.3	-77.5	0	0	0	114.1	F326 Y330 L331 V356	H291-F326 HydrophobicContact CB-CE1 4.26Å; H291-F326 AromaticContact CD2-CE1 3.64Å; H291-F326 AromaticContact CD2-CZ 3.95Å; H291-F326 AromaticContact CE1-CZ 3.82Å; H291-F326 AromaticContact CG-CE1 3.68Å; H291-F326 AromaticContact ND1-CE1 3.9Å; H291-F326 AromaticContact NE2-CE1 3.9Å; H291-F326 AromaticContact NE2-CZ 3.71Å; H291-Y330 AromaticContact CD2-CD1 3.85Å; H291-Y330 AromaticContact CD2-CD2 3.74Å; H291-Y330 AromaticContact CD2-CE1 3.97Å; H291-Y330 AromaticContact CD2-CE2 3.9Å; H291-Y330 AromaticContact CD2-CG 3.76Å; H291-L331 HydrophobicContact CB-CD2 4.3Å; H291-V356 HydrophobicContact CB-CB 4.18Å; H291-V356 HydrophobicContact CB-CG1 4.05Å; H291-V356 WeakPolarHBondContact ND1-CG2 3.5Å
292	R	86	Confident	88.4	Confident	96 Å²	96	49.7 Å²	49.7	36%	0.362	25%	0.252	S	S	.	.	S	Bend	trans	-133.6	143.9	175.3	-59.9	-178.6	-161.6	-170.4	0.1	109.5	V289 T290 C294 Y330	V289-R292 HydrophobicContact CG2-CB 4.3Å; T290-R292 PolarHBondContact O-N 2.74Å; R292-C294 PolarHBondContact O-N 3.27Å; R292-Y330 HydrophobicContact CG-CE1 3.99Å; R292-Y330 PolarHBondContact NE-OH 3.44Å; R292-Y330 PolarHBondContact NH2-OH 2.92Å
293	Q	78.9	Confident	88.4	Confident	215 Å²	215	51.7 Å²	51.7	100%	1.005	26%	0.263	S	S	*	.	S	Bend	trans	-80.3	61.7	170.3	-63.8	-171.3	-1.7	0	0	110.8
294	C	70.9	Confident	88.1	Confident	34 Å²	34	45.8 Å²	45.8	23%	0.23	24%	0.24	C	C	.	.			trans	-129.9	131.3	171	66.5	0	0	0	0	110.4	R292 A296	R292-C294 PolarHBondContact O-N 3.27Å; C294-A296 HydrophobicContact CB-CB 4.49Å; C294-A296 PolarHBondContact O-N 2.83Å
295	G	71.2	Confident	87.5	Confident	56 Å²	56	47.2 Å²	47.2	58%	0.577	25%	0.25	S	S	*	.			trans	-72	18.2	175.3	0	0	0	0	0	114.1	L123	L123-G295 VanDerWaalsContact CD2-O 3.3Å; L123-G295 WeakPolarHBondContact CD2-O 3.41Å
296	A	80.6	Confident	86.7	Confident	3 Å²	3	48 Å²	48	3%	0.025	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-72.3	134.8	-174.4	0	0	0	0	0	111.4	L123 C294 Y298	L123-A296 CarbonylContact O-C 3.6Å; L123-A296 VanDerWaalsContact O-CA 3.28Å; L123-A296 WeakPolarHBondContact O-CA 3.4Å; C294-A296 HydrophobicContact CB-CB 4.49Å; C294-A296 PolarHBondContact O-N 2.83Å; A296-Y298 HydrophobicContact CB-CE2 4.21Å
297	Q	88.8	Confident	85.7	Confident	21 Å²	21	45.6 Å²	45.6	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.7	174.5	-68.4	-174.4	1.5	0	0	110.3	L123 V287 T288 A360	L123-Q297 HydrophobicContact CB-CB 4.27Å; L123-Q297 HydrophobicContact CB-CG 4.04Å; L123-Q297 HydrophobicContact CD2-CG 4.31Å; L123-Q297 PolarHBondContact O-N 2.8Å; V287-Q297 CarbonylContact O-C 3.54Å; V287-Q297 VanDerWaalsContact O-CA 3.27Å; V287-Q297 WeakPolarHBondContact O-CA 3.45Å; T288-Q297 HydrophobicContact CG2-CG 3.71Å; Q297-A360 HydrophobicContact CG-CB 4.07Å
298	Y	89.8	Confident	84.6	Confident	31 Å²	31	47.9 Å²	47.9	12%	0.122	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.7	176.3	-62.5	-91.3	0	0	0	109.6	R286 V287 V289 A296 A343 I350 L352	R286-Y298 CarbonylContact C-O 3.41Å; R286-Y298 VanDerWaalsContact CA-O 3.3Å; R286-Y298 WeakPolarHBondContact CA-O 3.43Å; V287-Y298 PolarHBondContact N-O 3.21Å; V287-Y298 PolarHBondContact O-N 3.38Å; V289-Y298 HydrophobicContact CG1-CD2 3.94Å; V289-Y298 HydrophobicContact CG1-CE2 3.74Å; V289-Y298 HydrophobicContact CG2-CE2 4.09Å; A296-Y298 HydrophobicContact CB-CE2 4.21Å; Y298-A343 HydrophobicContact CD1-CB 4.27Å; Y298-I350 HydrophobicContact CD1-CD1 4.27Å; Y298-I350 HydrophobicContact CE1-CD1 3.98Å; Y298-L352 HydrophobicContact CD1-CD1 4.28Å; Y298-L352 HydrophobicContact CD2-CD1 3.99Å; Y298-L352 HydrophobicContact CG-CD1 3.82Å
299	R	91.1	Very high	83.7	Confident	162 Å²	162	54.2 Å²	54.2	61%	0.611	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.8	169.7	-176.7	-178.3	177.7	111	0.2	108.9
300	I	93.3	Very high	83.1	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.3	-180	-56.5	-47	0	0	0	109.9	V282 G284 L285 V287 G302 L341 Q342 A343	V282-I300 HydrophobicContact CB-CG2 4.07Å; V282-I300 HydrophobicContact CG2-CG2 3.76Å; V282-I300 WeakPolarHBondContact O-CB 3.29Å; G284-I300 WeakPolarHBondContact CA-O 3.38Å; G284-I300 PolarHBondContact N-O 2.85Å; L285-I300 WeakPolarHBondContact O-CG1 3.34Å; L285-I300 PolarHBondContact O-N 2.96Å; V287-I300 HydrophobicContact CG1-CG1 4.03Å; V287-I300 HydrophobicContact CG2-CD1 3.57Å; V287-I300 HydrophobicContact CG2-CG1 3.96Å; I300-G302 WeakPolarHBondContact CG2-O 3.48Å; I300-L341 HydrophobicContact CD1-CB 3.75Å; I300-L341 HydrophobicContact CD1-CD1 3.94Å; I300-L341 HydrophobicContact CD1-CG 4.45Å; I300-L341 HydrophobicContact CG1-CB 4.35Å; I300-L341 HydrophobicContact CG1-CD1 4.11Å; I300-L341 HydrophobicContact CG2-CB 4.35Å; I300-Q342 CarbonylContact C-O 3.51Å; I300-Q342 WeakPolarHBondContact CA-O 3.17Å; I300-A343 HydrophobicContact CD1-CB 3.99Å
301	I	91.3	Very high	82.7	Confident	55 Å²	55	55.7 Å²	55.7	28%	0.282	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-17.4	178.1	59.8	165.7	0	0	0	112.6	Q342 K346	I301-Q342 HydrophobicContact CD1-CG 3.99Å; I301-Q342 HydrophobicContact CG1-CB 4.22Å; I301-Q342 HydrophobicContact CG1-CG 3.87Å; I301-Q342 VanDerWaalsContact CG1-O 3.3Å; I301-Q342 WeakPolarHBondContact CG1-O 3.39Å; I301-Q342 PolarHBondContact N-O 2.82Å; I301-K346 HydrophobicContact CD1-CG 4.43Å
302	G	91.1	Very high	82.2	Confident	12 Å²	12	57.1 Å²	57.1	12%	0.124	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.5	-163.9	179.4	0	0	0	0	0	112.2	I300 Q342	I300-G302 WeakPolarHBondContact CG2-O 3.48Å; G302-Q342 PolarHBondContact N-O 3.42Å; G302-Q342 PolarHBondContact O-N 3.48Å
303	I	91.4	Very high	82.1	Confident	42 Å²	42	56.7 Å²	56.7	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.6	171.2	56.6	170.7	0	0	0	108.7	L275 I278 V282 A340 L341	L275-I303 HydrophobicContact CB-CD1 3.95Å; L275-I303 HydrophobicContact CD2-CD1 4.01Å; L275-I303 WeakPolarHBondContact O-CD1 3.36Å; I278-I303 HydrophobicContact CG2-CG2 4.39Å; V282-I303 HydrophobicContact CG2-CG2 3.69Å; I303-A340 WeakPolarHBondContact CA-O 3.45Å; I303-L341 HydrophobicContact CG2-CD2 4.42Å
304	A	86.4	Confident	82.3	Confident	16 Å²	16	49 Å²	49	13%	0.132	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	178.9	172.4	0	0	0	0	0	110.3	Q310 A340 Y351	A304-Q310 HydrophobicContact CB-CG 4.09Å; A304-A340 HydrophobicContact CB-CB 4.37Å; A304-A340 PolarHBondContact N-O 3.05Å; A304-Y351 HydrophobicContact CB-CD1 3.47Å; A304-Y351 VanDerWaalsContact CB-CD1 3.47Å; A304-Y351 HydrophobicContact CB-CE1 3.56Å
305	A	75.4	Confident	82.7	Confident	50 Å²	50	59.3 Å²	59.3	41%	0.413	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	171.7	168	0	0	0	0	0	111.1	R309 A340	A305-R309 HydrophobicContact CB-CB 4.45Å; A305-A340 PolarHBondContact O-N 3.46Å
306	D	76.2	Confident	83.4	Confident	17 Å²	17	62.1 Å²	62.1	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	148.2	173.9	69.5	62.1	0	0	0	111.2	R269 S308 R309 Q310 R337 M338	R269-D306 IonicContact CZ-OD2 3.48Å; R269-D306 IonicContact NH1-OD2 2.81Å; R269-D306 PolarHBondContact NH1-OD2 3.01Å; R269-D306 IonicContact NH2-OD2 2.83Å; D306-S308 PolarHBondContact O-N 3.07Å; D306-S308 WeakPolarHBondContact OD1-CA 3.41Å; D306-S308 WeakPolarHBondContact OD1-CB 3.32Å; D306-S308 PolarHBondContact OD1-N 2.97Å; D306-S308 VanDerWaalsContact OD1-N 3.14Å; D306-S308 PolarHBondContact OD1-OG 2.96Å; D306-R309 PolarHBondContact O-N 2.78Å; D306-R309 WeakPolarHBondContact OD1-CG 3.34Å; D306-R309 PolarHBondContact OD1-N 2.91Å; D306-R309 VanDerWaalsContact OD1-N 3.07Å; D306-R309 WeakPolarHBondContact OD2-CD 3.37Å; D306-R309 IonicContact OD2-NE 3.71Å; D306-Q310 PolarHBondContact O-N 3.18Å; D306-R337 WeakPolarHBondContact CB-O 3.45Å; D306-M338 WeakPolarHBondContact CA-O 3.42Å
307	A	71.3	Confident	83.4	Confident	2 Å²	2	64.4 Å²	64.4	2%	0.017	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.9	-173.5	0	0	0	0	0	112.5	V322 V323 L333 P336 M338	A307-V322 HydrophobicContact CB-CB 4.21Å; A307-V322 HydrophobicContact CB-CG1 4.03Å; A307-V322 PolarHBondContact O-N 2.93Å; A307-V323 HydrophobicContact CB-CG2 3.75Å; A307-V323 WeakPolarHBondContact O-CG2 3.32Å; A307-V323 PolarHBondContact O-N 3.22Å; A307-L333 HydrophobicContact CB-CD1 3.98Å; A307-P336 PolarHBondContact N-O 3.06Å; A307-M338 PolarHBondContact N-O 3.03Å
308	S	71.5	Confident	83.4	Confident	48 Å²	48	68.6 Å²	68.6	34%	0.336	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-19.9	176.9	73.1	0	0	0	0	114.4	D306 P336	D306-S308 PolarHBondContact O-N 3.07Å; D306-S308 WeakPolarHBondContact OD1-CA 3.41Å; D306-S308 WeakPolarHBondContact OD1-CB 3.32Å; D306-S308 PolarHBondContact OD1-N 2.97Å; D306-S308 VanDerWaalsContact OD1-N 3.14Å; D306-S308 PolarHBondContact OD1-OG 2.96Å; S308-P336 PolarHBondContact N-O 3.31Å
309	R	75.2	Confident	83.3	Confident	168 Å²	168	73.2 Å²	73.2	63%	0.634	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-21.9	-179.4	-67.1	177.6	179.4	-175.7	-0.6	113.8	A305 D306 M311	A305-R309 HydrophobicContact CB-CB 4.45Å; D306-R309 PolarHBondContact O-N 2.78Å; D306-R309 WeakPolarHBondContact OD1-CG 3.34Å; D306-R309 PolarHBondContact OD1-N 2.91Å; D306-R309 VanDerWaalsContact OD1-N 3.07Å; D306-R309 WeakPolarHBondContact OD2-CD 3.37Å; D306-R309 IonicContact OD2-NE 3.71Å; R309-M311 PolarHBondContact O-N 2.91Å; R309-M311 VanDerWaalsContact O-N 3.14Å
310	Q	81.5	Confident	83.2	Confident	36 Å²	36	65.9 Å²	65.9	17%	0.168	33%	0.333	C	S	.	.			trans	-73.1	108.4	-179	-175.5	58.9	53.4	0	0	110.1	A304 D306 S321 V322 Y351	A304-Q310 HydrophobicContact CB-CG 4.09Å; D306-Q310 PolarHBondContact O-N 3.18Å; Q310-S321 CarbonylContact O-C 3.5Å; Q310-S321 WeakPolarHBondContact O-CA 3.35Å; Q310-V322 HydrophobicContact CB-CG2 4.04Å; Q310-V322 HydrophobicContact CG-CG2 4Å; Q310-V322 WeakPolarHBondContact O-CG2 3.43Å; Q310-V322 PolarHBondContact O-N 2.87Å; Q310-Y351 HydrophobicContact CG-CD1 3.88Å; Q310-Y351 HydrophobicContact CG-CD2 3.9Å; Q310-Y351 HydrophobicContact CG-CE1 4.05Å; Q310-Y351 HydrophobicContact CG-CE2 4.09Å; Q310-Y351 HydrophobicContact CG-CG 3.79Å; Q310-Y351 PolarHBondContact NE2-OH 2.98Å
311	M	83.3	Confident	83	Confident	80 Å²	80	66 Å²	66	39%	0.394	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	153.1	174.3	-55.6	-59.4	-75.6	0	0	111	R309 E319 I320 S321	R309-M311 PolarHBondContact O-N 2.91Å; R309-M311 VanDerWaalsContact O-N 3.14Å; M311-E319 HydrophobicContact CE-CB 4.12Å; M311-I320 WeakPolarHBondContact CA-O 3.4Å; M311-S321 VanDerWaalsContact SD-CA 3.56Å
312	F	81.3	Confident	82.8	Confident	55 Å²	55	63.4 Å²	63.4	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	152.8	165	70.4	-79.5	0	0	0	110.7	M314 I320 V322 Y325 Y351	F312-M314 HydrophobicContact CE2-CG 4.32Å; F312-I320 HydrophobicContact CD1-CG2 4.32Å; F312-I320 HydrophobicContact CE1-CG2 3.75Å; F312-I320 HydrophobicContact CE2-CG2 4.14Å; F312-I320 HydrophobicContact CZ-CG2 3.65Å; F312-I320 PolarHBondContact N-O 3.03Å; F312-I320 PolarHBondContact O-N 2.7Å; F312-V322 HydrophobicContact CD1-CG2 4.05Å; F312-V322 HydrophobicContact CE1-CG2 4.24Å; F312-Y325 HydrophobicContact CE1-CD1 4.2Å; F312-Y325 HydrophobicContact CE1-CG 4.03Å; F312-Y325 AromaticContact CZ-CD1 3.68Å; F312-Y325 HydrophobicContact CZ-CD1 3.68Å; F312-Y325 AromaticContact CZ-CD2 3.85Å; F312-Y325 HydrophobicContact CZ-CD2 3.85Å; F312-Y325 HydrophobicContact CZ-CE1 4.26Å; F312-Y325 HydrophobicContact CZ-CE2 4.44Å; F312-Y325 AromaticContact CZ-CG 3.45Å; F312-Y325 HydrophobicContact CZ-CG 3.45Å; F312-Y325 VanDerWaalsContact CZ-CG 3.45Å; F312-Y351 HydrophobicContact CB-CD2 4.37Å; F312-Y351 HydrophobicContact CB-CE2 4.4Å
313	T	83.7	Confident	82.7	Confident	86 Å²	86	63.6 Å²	63.6	53%	0.528	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.6	-178.9	-38.6	0	0	0	0	110.8	G317	T313-G317 WeakPolarHBondContact CG2-O 3.38Å
314	M	82.2	Confident	82.7	Confident	53 Å²	53	65.3 Å²	65.3	26%	0.261	33%	0.328	S	S	.	.			trans	-73.5	169.1	171.5	-70.9	-143.6	67.2	0	0	111.4	F312 D316 G317 R318 I320 Y325	F312-M314 HydrophobicContact CE2-CG 4.32Å; M314-D316 WeakPolarHBondContact CB-OD1 3.33Å; M314-D316 PolarHBondContact O-N 3.21Å; M314-G317 PolarHBondContact O-N 3.07Å; M314-R318 HydrophobicContact CB-CB 4.5Å; M314-R318 WeakPolarHBondContact CB-O 3.47Å; M314-R318 PolarHBondContact N-O 2.82Å; M314-I320 HydrophobicContact CG-CG2 3.59Å; M314-I320 HydrophobicContact SD-CG2 4.08Å; M314-Y325 HydrophobicContact CE-CD2 4.21Å; M314-Y325 HydrophobicContact CE-CE2 3.92Å; M314-Y325 HydrophobicContact SD-CD2 4.14Å; M314-Y325 HydrophobicContact SD-CE2 4.45Å
315	R	80.6	Confident	82.9	Confident	251 Å²	251	66.4 Å²	66.4	95%	0.947	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.6	-177.9	-70.4	-175.6	-178.1	178.6	0.2	113.7
316	D	84.3	Confident	83.8	Confident	116 Å²	116	64.2 Å²	64.2	62%	0.62	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.9	174.7	58.9	1.7	0	0	0	112.7	M314 R318	M314-D316 WeakPolarHBondContact CB-OD1 3.33Å; M314-D316 PolarHBondContact O-N 3.21Å; D316-R318 WeakPolarHBondContact OD1-CB 3.23Å; D316-R318 PolarHBondContact OD1-N 3.05Å
317	G	82.5	Confident	84.6	Confident	51 Å²	51	69.6 Å²	69.6	53%	0.526	33%	0.333	S	S	.	.	S	Bend	trans	88.4	-6	-177.4	0	0	0	0	0	114.7	T313 M314 E319	T313-G317 WeakPolarHBondContact CG2-O 3.38Å; M314-G317 PolarHBondContact O-N 3.07Å; G317-E319 PolarHBondContact O-N 2.8Å
318	R	87.4	Confident	85.6	Confident	109 Å²	109	74.9 Å²	74.9	41%	0.411	36%	0.357	S	S	.	.			trans	-69.4	129.2	179	-177.2	170.1	64.6	131.9	4.1	110.7	M314 D316 E328	M314-R318 HydrophobicContact CB-CB 4.5Å; M314-R318 WeakPolarHBondContact CB-O 3.47Å; M314-R318 PolarHBondContact N-O 2.82Å; D316-R318 WeakPolarHBondContact OD1-CB 3.23Å; D316-R318 PolarHBondContact OD1-N 3.05Å; R318-E328 IonicContact CZ-OE1 2.97Å; R318-E328 IonicContact CZ-OE2 2.85Å; R318-E328 IonicContact NH1-OE1 3.56Å; R318-E328 PolarHBondContact NH1-OE1 3.43Å; R318-E328 VanDerWaalsContact NH1-OE1 3.12Å; R318-E328 IonicContact NH1-OE2 2.65Å; R318-E328 PolarHBondContact NH1-OE2 2.88Å; R318-E328 IonicContact NH2-OE1 2.92Å; R318-E328 IonicContact NH2-OE2 3.7Å; R318-E328 PolarHBondContact NH2-OE2 2.81Å
319	E	88.1	Confident	86.5	Confident	128 Å²	128	75.8 Å²	75.8	60%	0.598	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	129.9	167.2	-67.4	-156.1	133.3	0	0	110.2	M311 G317	M311-E319 HydrophobicContact CE-CB 4.12Å; G317-E319 PolarHBondContact O-N 2.8Å
320	I	90	Very high	87.2	Confident	8 Å²	8	71.6 Å²	71.6	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.7	179.4	-167.3	166	0	0	0	109.9	M311 F312 M314 D324 E328	M311-I320 WeakPolarHBondContact CA-O 3.4Å; F312-I320 HydrophobicContact CD1-CG2 4.32Å; F312-I320 HydrophobicContact CE1-CG2 3.75Å; F312-I320 HydrophobicContact CE2-CG2 4.14Å; F312-I320 HydrophobicContact CZ-CG2 3.65Å; F312-I320 PolarHBondContact N-O 3.03Å; F312-I320 PolarHBondContact O-N 2.7Å; M314-I320 HydrophobicContact CG-CG2 3.59Å; M314-I320 HydrophobicContact SD-CG2 4.08Å; I320-D324 HydrophobicContact CD1-CB 4.05Å; I320-D324 HydrophobicContact CG1-CB 3.74Å; I320-E328 WeakPolarHBondContact CD1-OE2 3.24Å
321	S	89.1	Confident	87.8	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.021	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	154.9	173	80.8	0	0	0	0	110.5	Q310 M311 V323 D324 Y325	Q310-S321 CarbonylContact O-C 3.5Å; Q310-S321 WeakPolarHBondContact O-CA 3.35Å; M311-S321 VanDerWaalsContact SD-CA 3.56Å; S321-V323 PolarHBondContact O-N 3.41Å; S321-V323 PolarHBondContact OG-N 3.44Å; S321-D324 PolarHBondContact O-N 3.16Å; S321-D324 WeakPolarHBondContact OG-CB 3.25Å; S321-D324 PolarHBondContact OG-N 2.87Å; S321-D324 PolarHBondContact OG-OD2 2.95Å; S321-Y325 WeakPolarHBondContact O-CB 3.37Å; S321-Y325 PolarHBondContact O-N 3.39Å
322	V	87.1	Confident	88.3	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-58.8	-39	173.2	174.2	0	0	0	0	110.7	A307 Q310 F312 F326 Y351 P353	A307-V322 HydrophobicContact CB-CB 4.21Å; A307-V322 HydrophobicContact CB-CG1 4.03Å; A307-V322 PolarHBondContact O-N 2.93Å; Q310-V322 HydrophobicContact CB-CG2 4.04Å; Q310-V322 HydrophobicContact CG-CG2 4Å; Q310-V322 WeakPolarHBondContact O-CG2 3.43Å; Q310-V322 PolarHBondContact O-N 2.87Å; F312-V322 HydrophobicContact CD1-CG2 4.05Å; F312-V322 HydrophobicContact CE1-CG2 4.24Å; V322-F326 HydrophobicContact CG1-CD2 3.91Å; V322-F326 HydrophobicContact CG1-CE2 4.06Å; V322-F326 WeakPolarHBondContact O-CB 3.46Å; V322-F326 VanDerWaalsContact O-CD2 3.26Å; V322-F326 WeakPolarHBondContact O-CD2 3.33Å; V322-F326 PolarHBondContact O-N 3.28Å; V322-Y351 HydrophobicContact CG2-CD2 4.49Å; V322-Y351 HydrophobicContact CG2-CG 4.34Å; V322-P353 HydrophobicContact CG1-CG 3.67Å
323	V	89	Confident	88.8	Confident	16 Å²	16	72.2 Å²	72.2	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-50.2	176.4	165.6	0	0	0	0	112	A307 S321 F326 K327 L333 P336	A307-V323 HydrophobicContact CB-CG2 3.75Å; A307-V323 WeakPolarHBondContact O-CG2 3.32Å; A307-V323 PolarHBondContact O-N 3.22Å; S321-V323 PolarHBondContact O-N 3.41Å; S321-V323 PolarHBondContact OG-N 3.44Å; V323-F326 PolarHBondContact O-N 3.36Å; V323-K327 WeakPolarHBondContact O-CB 3.26Å; V323-K327 PolarHBondContact O-N 3.48Å; V323-L333 HydrophobicContact CB-CD1 4.46Å; V323-L333 HydrophobicContact CG2-CD1 3.81Å; V323-P336 HydrophobicContact CG2-CB 3.56Å
324	D	90.9	Very high	89.2	Confident	77 Å²	77	76.9 Å²	76.9	41%	0.412	36%	0.358	S	S	.	.	H	α-helix	trans	-67.4	-41.2	-176.2	-62.4	-42.6	0	0	0	110.9	I320 S321 F326 K327 E328	I320-D324 HydrophobicContact CD1-CB 4.05Å; I320-D324 HydrophobicContact CG1-CB 3.74Å; S321-D324 PolarHBondContact O-N 3.16Å; S321-D324 WeakPolarHBondContact OG-CB 3.25Å; S321-D324 PolarHBondContact OG-N 2.87Å; S321-D324 PolarHBondContact OG-OD2 2.95Å; D324-F326 VanDerWaalsContact C-N 3.33Å; D324-F326 PolarHBondContact O-N 2.94Å; D324-K327 PolarHBondContact O-N 3.36Å; D324-E328 WeakPolarHBondContact O-CB 3.37Å; D324-E328 WeakPolarHBondContact O-CG 3.18Å; D324-E328 PolarHBondContact O-N 3.18Å
325	Y	91.2	Very high	89.7	Confident	40 Å²	40	76.6 Å²	76.6	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-43.3	174.2	173.4	-108.4	0	0	0	112.4	F312 M314 S321 E328 T329 Y330	F312-Y325 HydrophobicContact CE1-CD1 4.2Å; F312-Y325 HydrophobicContact CE1-CG 4.03Å; F312-Y325 AromaticContact CZ-CD1 3.68Å; F312-Y325 HydrophobicContact CZ-CD1 3.68Å; F312-Y325 AromaticContact CZ-CD2 3.85Å; F312-Y325 HydrophobicContact CZ-CD2 3.85Å; F312-Y325 HydrophobicContact CZ-CE1 4.26Å; F312-Y325 HydrophobicContact CZ-CE2 4.44Å; F312-Y325 AromaticContact CZ-CG 3.45Å; F312-Y325 HydrophobicContact CZ-CG 3.45Å; F312-Y325 VanDerWaalsContact CZ-CG 3.45Å; M314-Y325 HydrophobicContact CE-CD2 4.21Å; M314-Y325 HydrophobicContact CE-CE2 3.92Å; M314-Y325 HydrophobicContact SD-CD2 4.14Å; M314-Y325 HydrophobicContact SD-CE2 4.45Å; S321-Y325 WeakPolarHBondContact O-CB 3.37Å; S321-Y325 PolarHBondContact O-N 3.39Å; Y325-E328 PolarHBondContact O-N 2.8Å; Y325-T329 WeakPolarHBondContact CD2-OG1 3.43Å; Y325-T329 HydrophobicContact CE2-CG2 4.29Å; Y325-T329 WeakPolarHBondContact CE2-OG1 2.86Å; Y325-T329 VanDerWaalsContact O-CB 3.23Å; Y325-T329 WeakPolarHBondContact O-CB 3.2Å; Y325-T329 PolarHBondContact O-N 3.01Å; Y325-T329 PolarHBondContact O-OG1 3.47Å; Y325-Y330 HydrophobicContact CE1-CD2 4.39Å; Y325-Y330 AromaticContact CE1-CE2 3.66Å; Y325-Y330 HydrophobicContact CE1-CE2 3.66Å; Y325-Y330 AromaticContact CZ-CE2 3.92Å; Y325-Y330 PolarHBondContact OH-OH 3.06Å
326	F	93.1	Very high	90.1	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-40.7	176.8	-95	-102	0	0	0	111.6	H291 V322 V323 D324 T329 Y330 L331 L333 P353 V356	H291-F326 HydrophobicContact CB-CE1 4.26Å; H291-F326 AromaticContact CD2-CE1 3.64Å; H291-F326 AromaticContact CD2-CZ 3.95Å; H291-F326 AromaticContact CE1-CZ 3.82Å; H291-F326 AromaticContact CG-CE1 3.68Å; H291-F326 AromaticContact ND1-CE1 3.9Å; H291-F326 AromaticContact NE2-CE1 3.9Å; H291-F326 AromaticContact NE2-CZ 3.71Å; V322-F326 HydrophobicContact CG1-CD2 3.91Å; V322-F326 HydrophobicContact CG1-CE2 4.06Å; V322-F326 WeakPolarHBondContact O-CB 3.46Å; V322-F326 VanDerWaalsContact O-CD2 3.26Å; V322-F326 WeakPolarHBondContact O-CD2 3.33Å; V322-F326 PolarHBondContact O-N 3.28Å; V323-F326 PolarHBondContact O-N 3.36Å; D324-F326 VanDerWaalsContact C-N 3.33Å; D324-F326 PolarHBondContact O-N 2.94Å; F326-T329 PolarHBondContact O-N 3.08Å; F326-Y330 HydrophobicContact CD1-CD2 4.05Å; F326-Y330 HydrophobicContact CE1-CD2 4.14Å; F326-Y330 HydrophobicContact CG-CD2 4.35Å; F326-Y330 CarbonylContact O-C 3.56Å; F326-Y330 WeakPolarHBondContact O-CA 3.49Å; F326-Y330 PolarHBondContact O-N 2.95Å; F326-L331 CarbonylContact C-O 3.59Å; F326-L331 CarbonylContact O-C 3.6Å; F326-L331 PolarHBondContact O-N 3.06Å; F326-L333 HydrophobicContact CB-CD1 4.22Å; F326-L333 HydrophobicContact CB-CD2 4.11Å; F326-L333 HydrophobicContact CB-CG 4.01Å; F326-L333 HydrophobicContact CD1-CD2 3.8Å; F326-L333 HydrophobicContact CG-CD1 4.44Å; F326-L333 HydrophobicContact CG-CD2 4.06Å; F326-L333 HydrophobicContact CG-CG 4.42Å; F326-P353 HydrophobicContact CD1-CG 4.33Å; F326-P353 HydrophobicContact CD2-CG 3.94Å; F326-P353 HydrophobicContact CE1-CG 4.13Å; F326-P353 VanDerWaalsContact CE2-CD 3.41Å; F326-P353 HydrophobicContact CE2-CG 3.71Å; F326-P353 HydrophobicContact CG-CG 4.24Å; F326-P353 HydrophobicContact CZ-CG 3.81Å; F326-V356 HydrophobicContact CE1-CG1 4.16Å; F326-V356 HydrophobicContact CE1-CG2 3.82Å; F326-V356 HydrophobicContact CZ-CG2 4.06Å
327	K	92.8	Very high	90.4	Very high	130 Å²	130	64.5 Å²	64.5	57%	0.565	30%	0.304	S	S	*	.	H	α-helix	trans	-62.4	-44.5	175.2	-174.6	-175.6	-174.9	-176.4	0	112.2	V323 D324 L331 Q332	V323-K327 WeakPolarHBondContact O-CB 3.26Å; V323-K327 PolarHBondContact O-N 3.48Å; D324-K327 PolarHBondContact O-N 3.36Å; K327-L331 PolarHBondContact N-O 3.18Å; K327-Q332 VanDerWaalsContact CG-OE1 3.28Å
328	E	91.9	Very high	90.9	Very high	112 Å²	112	62.3 Å²	62.3	52%	0.523	28%	0.28	S	S	.	.	H	α-helix	trans	-69.4	-35.6	179.2	-73.4	-177.4	-173.6	0	0	112.5	R318 I320 D324 Y325	R318-E328 IonicContact CZ-OE1 2.97Å; R318-E328 IonicContact CZ-OE2 2.85Å; R318-E328 IonicContact NH1-OE1 3.56Å; R318-E328 PolarHBondContact NH1-OE1 3.43Å; R318-E328 VanDerWaalsContact NH1-OE1 3.12Å; R318-E328 IonicContact NH1-OE2 2.65Å; R318-E328 PolarHBondContact NH1-OE2 2.88Å; R318-E328 IonicContact NH2-OE1 2.92Å; R318-E328 IonicContact NH2-OE2 3.7Å; R318-E328 PolarHBondContact NH2-OE2 2.81Å; I320-E328 WeakPolarHBondContact CD1-OE2 3.24Å; D324-E328 WeakPolarHBondContact O-CB 3.37Å; D324-E328 WeakPolarHBondContact O-CG 3.18Å; D324-E328 PolarHBondContact O-N 3.18Å; Y325-E328 PolarHBondContact O-N 2.8Å
329	T	90.6	Very high	91.1	Very high	67 Å²	67	57.3 Å²	57.3	41%	0.411	26%	0.262	S	S	.	.	H	α-helix	trans	-107.8	-31.9	-167.2	-47.7	0	0	0	0	114.6	Y325 F326	Y325-T329 WeakPolarHBondContact CD2-OG1 3.43Å; Y325-T329 HydrophobicContact CE2-CG2 4.29Å; Y325-T329 WeakPolarHBondContact CE2-OG1 2.86Å; Y325-T329 VanDerWaalsContact O-CB 3.23Å; Y325-T329 WeakPolarHBondContact O-CB 3.2Å; Y325-T329 PolarHBondContact O-N 3.01Å; Y325-T329 PolarHBondContact O-OG1 3.47Å; F326-T329 PolarHBondContact O-N 3.08Å
330	Y	91.2	Very high	91.3	Very high	81 Å²	81	51.2 Å²	51.2	32%	0.318	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-76.2	-170.8	-55.9	-71.4	0	0	0	112.5	H291 R292 Y325 F326	H291-Y330 AromaticContact CD2-CD1 3.85Å; H291-Y330 AromaticContact CD2-CD2 3.74Å; H291-Y330 AromaticContact CD2-CE1 3.97Å; H291-Y330 AromaticContact CD2-CE2 3.9Å; H291-Y330 AromaticContact CD2-CG 3.76Å; R292-Y330 HydrophobicContact CG-CE1 3.99Å; R292-Y330 PolarHBondContact NE-OH 3.44Å; R292-Y330 PolarHBondContact NH2-OH 2.92Å; Y325-Y330 HydrophobicContact CE1-CD2 4.39Å; Y325-Y330 AromaticContact CE1-CE2 3.66Å; Y325-Y330 HydrophobicContact CE1-CE2 3.66Å; Y325-Y330 AromaticContact CZ-CE2 3.92Å; Y325-Y330 PolarHBondContact OH-OH 3.06Å; F326-Y330 HydrophobicContact CD1-CD2 4.05Å; F326-Y330 HydrophobicContact CE1-CD2 4.14Å; F326-Y330 HydrophobicContact CG-CD2 4.35Å; F326-Y330 CarbonylContact O-C 3.56Å; F326-Y330 WeakPolarHBondContact O-CA 3.49Å; F326-Y330 PolarHBondContact O-N 2.95Å
331	L	92.9	Very high	91.5	Very high	68 Å²	68	50.9 Å²	50.9	36%	0.356	23%	0.232	S	C	.	.			trans	-156.2	155.2	-172	62	87.4	0	0	0	111.6	H291 F326 K327 L333 V356	H291-L331 HydrophobicContact CB-CD2 4.3Å; F326-L331 CarbonylContact C-O 3.59Å; F326-L331 CarbonylContact O-C 3.6Å; F326-L331 PolarHBondContact O-N 3.06Å; K327-L331 PolarHBondContact N-O 3.18Å; L331-L333 HydrophobicContact CD1-CD2 3.95Å; L331-L333 PolarHBondContact O-N 2.84Å; L331-V356 HydrophobicContact CD2-CG1 4.44Å
332	Q	93.5	Very high	91.7	Very high	108 Å²	108	52.6 Å²	52.6	51%	0.505	24%	0.239	S	C	.	.			trans	-70.9	121	170.7	-178.9	66	51.2	0	0	110	K327	K327-Q332 VanDerWaalsContact CG-OE1 3.28Å
333	L	92.8	Very high	91.9	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.042	24%	0.239	C	C	.	.			trans	-68.5	135.1	-179.7	-61.3	177.8	0	0	0	111.5	A307 V323 F326 L331 P353 E355 V356	A307-L333 HydrophobicContact CB-CD1 3.98Å; V323-L333 HydrophobicContact CB-CD1 4.46Å; V323-L333 HydrophobicContact CG2-CD1 3.81Å; F326-L333 HydrophobicContact CB-CD1 4.22Å; F326-L333 HydrophobicContact CB-CD2 4.11Å; F326-L333 HydrophobicContact CB-CG 4.01Å; F326-L333 HydrophobicContact CD1-CD2 3.8Å; F326-L333 HydrophobicContact CG-CD1 4.44Å; F326-L333 HydrophobicContact CG-CD2 4.06Å; F326-L333 HydrophobicContact CG-CG 4.42Å; L331-L333 HydrophobicContact CD1-CD2 3.95Å; L331-L333 PolarHBondContact O-N 2.84Å; L333-P353 HydrophobicContact CD1-CB 3.93Å; L333-P353 HydrophobicContact CD1-CG 3.65Å; L333-P353 HydrophobicContact CD2-CB 3.88Å; L333-P353 HydrophobicContact CD2-CG 3.89Å; L333-P353 HydrophobicContact CG-CG 4.48Å; L333-E355 WeakPolarHBondContact CA-OE1 3.25Å; L333-E355 WeakPolarHBondContact CB-OE1 3.39Å; L333-E355 HydrophobicContact CD2-CG 4.02Å; L333-E355 WeakPolarHBondContact CD2-OE1 3.49Å; L333-V356 HydrophobicContact CD2-CG1 4.47Å
334	R	92.3	Very high	91.7	Very high	183 Å²	183	53.7 Å²	53.7	69%	0.691	25%	0.254	S	S	*	.	S	Bend	trans	-78.6	-35.4	178.8	-76.4	-173.8	-100.4	-176.3	-8.5	112.4	S266 P336 E355	S266-R334 VanDerWaalsContact CA-O 3.26Å; S266-R334 WeakPolarHBondContact CA-O 3.05Å; S266-R334 WeakPolarHBondContact CB-O 3.22Å; R334-P336 VanDerWaalsContact O-CD 3.3Å; R334-P336 WeakPolarHBondContact O-CD 3.42Å; R334-E355 WeakPolarHBondContact CA-OE2 3.41Å; R334-E355 PolarHBondContact N-OE1 3.22Å; R334-E355 VanDerWaalsContact N-OE1 3.1Å; R334-E355 PolarHBondContact N-OE2 3.36Å
335	Y	92.1	Very high	91.3	Very high	47 Å²	47	53 Å²	53	18%	0.184	26%	0.255	C	S	.	.			trans	-122.2	61.2	-176.3	-44.5	-63	0	0	0	111.4	L243 I264 R337 M338 E355	L243-Y335 HydrophobicContact CD1-CD2 3.8Å; L243-Y335 HydrophobicContact CD1-CE2 3.65Å; I264-Y335 HydrophobicContact CB-CD1 4.45Å; I264-Y335 HydrophobicContact CB-CE1 4.22Å; I264-Y335 HydrophobicContact CG2-CD1 3.52Å; I264-Y335 HydrophobicContact CG2-CD2 4.42Å; I264-Y335 HydrophobicContact CG2-CE1 3.78Å; I264-Y335 HydrophobicContact CG2-CG 3.87Å; I264-Y335 VanDerWaalsContact O-CE1 3.31Å; I264-Y335 WeakPolarHBondContact O-CE1 3.44Å; Y335-R337 PolarHBondContact O-N 3.24Å; Y335-M338 WeakPolarHBondContact O-CB 3.49Å; Y335-M338 PolarHBondContact O-N 3.14Å; Y335-M338 VanDerWaalsContact O-N 3.09Å; Y335-E355 HydrophobicContact CD2-CB 3.99Å; Y335-E355 WeakPolarHBondContact CD2-OE2 3.36Å; Y335-E355 PolarHBondContact N-OE2 3.09Å
336	P	90.2	Very high	90.7	Very high	27 Å²	27	59.7 Å²	59.7	18%	0.175	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.5	-172.5	27.7	-36.9	0	0	0	113.9	A307 S308 V323 R334	A307-P336 PolarHBondContact N-O 3.06Å; S308-P336 PolarHBondContact N-O 3.31Å; V323-P336 HydrophobicContact CG2-CB 3.56Å; R334-P336 VanDerWaalsContact O-CD 3.3Å; R334-P336 WeakPolarHBondContact O-CD 3.42Å
337	R	90.5	Very high	90.1	Very high	86 Å²	86	67 Å²	67	33%	0.325	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-0.5	-179.9	-40.6	-156.5	-49.3	-172.1	-0.6	113.9	N267 R269 D306 Y335	N267-R337 VanDerWaalsContact C-NE 3.3Å; N267-R337 VanDerWaalsContact CB-CZ 3.48Å; N267-R337 VanDerWaalsContact CB-NH2 3.29Å; N267-R337 PolarHBondContact O-NE 3.26Å; N267-R337 PolarHBondContact O-NH2 2.52Å; R269-R337 HydrophobicContact CG-CB 3.63Å; D306-R337 WeakPolarHBondContact CB-O 3.45Å; Y335-R337 PolarHBondContact O-N 3.24Å
338	M	91.7	Very high	89.6	Confident	5 Å²	5	70.9 Å²	70.9	3%	0.025	34%	0.336	C	S	.	.	S	Bend	trans	-78.8	151.8	170.5	-73.1	-68.1	-75.6	0	0	110.9	L243 I246 T268 L270 D306 A307 Y335 V354	L243-M338 HydrophobicContact CD2-CE 4.09Å; I246-M338 HydrophobicContact CD1-CE 4.34Å; I246-M338 HydrophobicContact CG2-CE 4.37Å; T268-M338 HydrophobicContact CG2-SD 4.31Å; L270-M338 HydrophobicContact CD1-CE 4.15Å; L270-M338 HydrophobicContact CD2-SD 4.46Å; L270-M338 HydrophobicContact CG-CE 4.28Å; L270-M338 HydrophobicContact CG-SD 4.1Å; D306-M338 WeakPolarHBondContact CA-O 3.42Å; A307-M338 PolarHBondContact N-O 3.03Å; Y335-M338 WeakPolarHBondContact O-CB 3.49Å; Y335-M338 PolarHBondContact O-N 3.14Å; Y335-M338 VanDerWaalsContact O-N 3.09Å; M338-V354 HydrophobicContact CB-CG2 3.71Å; M338-V354 HydrophobicContact CE-CG2 4.37Å; M338-V354 HydrophobicContact CG-CG2 4.48Å
339	P	91.1	Very high	89.3	Confident	5 Å²	5	67 Å²	67	3%	0.032	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	148.1	179.1	27.4	-36	0	0	0	111.6	L270 L275 V354	L270-P339 HydrophobicContact CD1-CG 4.16Å; L275-P339 HydrophobicContact CD2-CB 3.86Å; L275-P339 HydrophobicContact CD2-CG 3.79Å; P339-V354 WeakPolarHBondContact O-CG1 3.48Å
340	A	92.3	Very high	89.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	144.8	165	0	0	0	0	0	110.6	I303 A304 A305 L352	I303-A340 WeakPolarHBondContact CA-O 3.45Å; A304-A340 HydrophobicContact CB-CB 4.37Å; A304-A340 PolarHBondContact N-O 3.05Å; A305-A340 PolarHBondContact O-N 3.46Å; A340-L352 CarbonylContact C-O 3.45Å; A340-L352 WeakPolarHBondContact CA-O 3.47Å
341	L	94.3	Very high	89.2	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.3	168.9	-55.3	177.5	0	0	0	109.5	V242 V282 V287 I300 I303 Y351 L352 V354 C357	V242-L341 HydrophobicContact CG1-CD1 4.07Å; V242-L341 HydrophobicContact CG1-CD2 4.3Å; V242-L341 HydrophobicContact CG2-CD1 4.17Å; V282-L341 HydrophobicContact CB-CD2 4.35Å; V282-L341 HydrophobicContact CG1-CD2 4.19Å; V282-L341 HydrophobicContact CG2-CD2 4.23Å; V287-L341 HydrophobicContact CG1-CD1 4.15Å; V287-L341 HydrophobicContact CG2-CD1 4.16Å; I300-L341 HydrophobicContact CD1-CB 3.75Å; I300-L341 HydrophobicContact CD1-CD1 3.94Å; I300-L341 HydrophobicContact CD1-CG 4.45Å; I300-L341 HydrophobicContact CG1-CB 4.35Å; I300-L341 HydrophobicContact CG1-CD1 4.11Å; I300-L341 HydrophobicContact CG2-CB 4.35Å; I303-L341 HydrophobicContact CG2-CD2 4.42Å; L341-Y351 WeakPolarHBondContact O-CA 3.45Å; L341-L352 HydrophobicContact CB-CB 4.4Å; L341-L352 PolarHBondContact N-O 3.24Å; L341-L352 PolarHBondContact O-N 3.44Å; L341-V354 HydrophobicContact CD2-CG1 3.87Å; L341-V354 HydrophobicContact CG-CG1 3.89Å; L341-C357 HydrophobicContact CD1-CB 3.94Å
342	Q	93.4	Very high	89.2	Confident	38 Å²	38	62.7 Å²	62.7	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.6	173.5	-169.7	-175.6	16.1	0	0	109.7	I300 I301 G302 S349 Y351	I300-Q342 CarbonylContact C-O 3.51Å; I300-Q342 WeakPolarHBondContact CA-O 3.17Å; I301-Q342 HydrophobicContact CD1-CG 3.99Å; I301-Q342 HydrophobicContact CG1-CB 4.22Å; I301-Q342 HydrophobicContact CG1-CG 3.87Å; I301-Q342 VanDerWaalsContact CG1-O 3.3Å; I301-Q342 WeakPolarHBondContact CG1-O 3.39Å; I301-Q342 PolarHBondContact N-O 2.82Å; G302-Q342 PolarHBondContact N-O 3.42Å; G302-Q342 PolarHBondContact O-N 3.48Å; Q342-S349 PolarHBondContact NE2-OG 3.46Å; Q342-Y351 HydrophobicContact CB-CD1 4.42Å; Q342-Y351 HydrophobicContact CB-CE1 4.36Å; Q342-Y351 HydrophobicContact CG-CD1 4.29Å; Q342-Y351 HydrophobicContact CG-CE1 3.88Å
343	A	91.1	Very high	89.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	179.3	173.7	0	0	0	0	0	110.9	Y298 I300 S349 I350	Y298-A343 HydrophobicContact CD1-CB 4.27Å; I300-A343 HydrophobicContact CD1-CB 3.99Å; A343-S349 WeakPolarHBondContact O-CA 3.43Å; A343-I350 HydrophobicContact CB-CB 4.35Å; A343-I350 PolarHBondContact N-O 3.04Å; A343-I350 PolarHBondContact O-N 3.23Å
344	G	85.2	Confident	89.3	Confident	40 Å²	40	57.6 Å²	57.6	41%	0.412	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.2	-151.9	-179.2	0	0	0	0	0	112.9
345	S	83	Confident	89.4	Confident	63 Å²	63	50.6 Å²	50.6	44%	0.441	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	160.3	174.4	75.8	0	0	0	0	110	N347 R348 S349	S345-N347 PolarHBondContact O-N 3.29Å; S345-R348 PolarHBondContact N-O 2.97Å; S345-R348 CarbonylContact O-C 3.55Å; S345-R348 PolarHBondContact O-N 3.31Å; S345-R348 VanDerWaalsContact O-N 3.13Å; S345-R348 PolarHBondContact OG-N 2.92Å; S345-S349 WeakPolarHBondContact O-CA 3.42Å; S345-S349 PolarHBondContact O-N 3.01Å; S345-S349 PolarHBondContact O-OG 3.31Å
346	K	79.2	Confident	89.5	Confident	180 Å²	180	48.6 Å²	48.6	78%	0.783	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-37.1	176.1	-69.2	-172.6	175.7	-173.5	0	112.2	I301 S349	I301-K346 HydrophobicContact CD1-CG 4.43Å; K346-S349 PolarHBondContact O-OG 2.87Å
347	N	79.1	Confident	89.7	Confident	157 Å²	157	47.3 Å²	47.3	84%	0.84	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-17.5	-177.7	-57.9	0	0	0	0	113.2	S345	S345-N347 PolarHBondContact O-N 3.29Å
348	R	82.9	Confident	90	Very high	213 Å²	213	45.9 Å²	45.9	80%	0.804	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	68.7	176.2	-67	-172.5	-178.9	-180	0.4	108.3	S345	S345-R348 PolarHBondContact N-O 2.97Å; S345-R348 CarbonylContact O-C 3.55Å; S345-R348 PolarHBondContact O-N 3.31Å; S345-R348 VanDerWaalsContact O-N 3.13Å; S345-R348 PolarHBondContact OG-N 2.92Å
349	S	86.6	Confident	90.2	Very high	30 Å²	30	45.8 Å²	45.8	21%	0.21	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142.3	-176.9	-68.3	0	0	0	0	110.5	Q342 A343 S345 K346	Q342-S349 PolarHBondContact NE2-OG 3.46Å; A343-S349 WeakPolarHBondContact O-CA 3.43Å; S345-S349 WeakPolarHBondContact O-CA 3.42Å; S345-S349 PolarHBondContact O-N 3.01Å; S345-S349 PolarHBondContact O-OG 3.31Å; K346-S349 PolarHBondContact O-OG 2.87Å
350	I	88.8	Confident	90.3	Very high	70 Å²	70	45.6 Å²	45.6	36%	0.359	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.5	171.5	-57.7	173	0	0	0	106.5	Y298 A343 L352	Y298-I350 HydrophobicContact CD1-CD1 4.27Å; Y298-I350 HydrophobicContact CE1-CD1 3.98Å; A343-I350 HydrophobicContact CB-CB 4.35Å; A343-I350 PolarHBondContact N-O 3.04Å; A343-I350 PolarHBondContact O-N 3.23Å; I350-L352 HydrophobicContact CG2-CD2 3.86Å; I350-L352 HydrophobicContact CG2-CG 4.12Å
351	Y	91	Very high	90.2	Very high	51 Å²	51	51.5 Å²	51.5	20%	0.2	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.7	179	-58.3	-69.5	0	0	0	109.9	A304 Q310 F312 V322 L341 Q342	A304-Y351 HydrophobicContact CB-CD1 3.47Å; A304-Y351 VanDerWaalsContact CB-CD1 3.47Å; A304-Y351 HydrophobicContact CB-CE1 3.56Å; Q310-Y351 HydrophobicContact CG-CD1 3.88Å; Q310-Y351 HydrophobicContact CG-CD2 3.9Å; Q310-Y351 HydrophobicContact CG-CE1 4.05Å; Q310-Y351 HydrophobicContact CG-CE2 4.09Å; Q310-Y351 HydrophobicContact CG-CG 3.79Å; Q310-Y351 PolarHBondContact NE2-OH 2.98Å; F312-Y351 HydrophobicContact CB-CD2 4.37Å; F312-Y351 HydrophobicContact CB-CE2 4.4Å; V322-Y351 HydrophobicContact CG2-CD2 4.49Å; V322-Y351 HydrophobicContact CG2-CG 4.34Å; L341-Y351 WeakPolarHBondContact O-CA 3.45Å; Q342-Y351 HydrophobicContact CB-CD1 4.42Å; Q342-Y351 HydrophobicContact CB-CE1 4.36Å; Q342-Y351 HydrophobicContact CG-CD1 4.29Å; Q342-Y351 HydrophobicContact CG-CE1 3.88Å
352	L	92.8	Very high	90	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.2	-176	-58.4	174.3	0	0	0	109.7	V287 V289 Y298 A340 L341 I350 V354 C357	V287-L352 HydrophobicContact CG2-CD1 4.41Å; V289-L352 HydrophobicContact CG1-CD1 3.98Å; V289-L352 HydrophobicContact CG1-CD2 4.01Å; Y298-L352 HydrophobicContact CD1-CD1 4.28Å; Y298-L352 HydrophobicContact CD2-CD1 3.99Å; Y298-L352 HydrophobicContact CG-CD1 3.82Å; A340-L352 CarbonylContact C-O 3.45Å; A340-L352 WeakPolarHBondContact CA-O 3.47Å; L341-L352 HydrophobicContact CB-CB 4.4Å; L341-L352 PolarHBondContact N-O 3.24Å; L341-L352 PolarHBondContact O-N 3.44Å; I350-L352 HydrophobicContact CG2-CD2 3.86Å; I350-L352 HydrophobicContact CG2-CG 4.12Å; L352-V354 PolarHBondContact O-N 2.84Å; L352-C357 VanDerWaalsContact CB-SG 3.57Å
353	P	93.9	Very high	89.9	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	135.2	172.4	-23.3	32.8	0	0	0	111	V322 F326 L333 E355 V356 C357	V322-P353 HydrophobicContact CG1-CG 3.67Å; F326-P353 HydrophobicContact CD1-CG 4.33Å; F326-P353 HydrophobicContact CD2-CG 3.94Å; F326-P353 HydrophobicContact CE1-CG 4.13Å; F326-P353 VanDerWaalsContact CE2-CD 3.41Å; F326-P353 HydrophobicContact CE2-CG 3.71Å; F326-P353 HydrophobicContact CG-CG 4.24Å; F326-P353 HydrophobicContact CZ-CG 3.81Å; L333-P353 HydrophobicContact CD1-CB 3.93Å; L333-P353 HydrophobicContact CD1-CG 3.65Å; L333-P353 HydrophobicContact CD2-CB 3.88Å; L333-P353 HydrophobicContact CD2-CG 3.89Å; L333-P353 HydrophobicContact CG-CG 4.48Å; P353-E355 HydrophobicContact CB-CG 4.21Å; P353-E355 PolarHBondContact O-N 2.98Å; P353-E355 VanDerWaalsContact O-N 3.15Å; P353-V356 HydrophobicContact CB-CG2 4.11Å; P353-V356 HydrophobicContact CG-CG2 4.32Å; P353-V356 WeakPolarHBondContact O-CG2 3.29Å; P353-V356 PolarHBondContact O-N 2.76Å; P353-V356 VanDerWaalsContact O-N 3.11Å; P353-C357 PolarHBondContact O-SG 2.93Å
354	V	94.1	Very high	89.9	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.024	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-60.5	-27.9	-175.7	-73.2	0	0	0	0	113.5	V242 L243 I246 M338 P339 L341 L352 V356 C357	V242-V354 HydrophobicContact CG1-CB 4.15Å; V242-V354 HydrophobicContact CG1-CG1 3.97Å; L243-V354 HydrophobicContact CD2-CB 4.3Å; L243-V354 HydrophobicContact CD2-CG2 3.66Å; L243-V354 HydrophobicContact CG-CG2 4.48Å; I246-V354 HydrophobicContact CD1-CB 4.13Å; I246-V354 HydrophobicContact CD1-CG1 3.74Å; I246-V354 HydrophobicContact CD1-CG2 4.46Å; M338-V354 HydrophobicContact CB-CG2 3.71Å; M338-V354 HydrophobicContact CE-CG2 4.37Å; M338-V354 HydrophobicContact CG-CG2 4.48Å; P339-V354 WeakPolarHBondContact O-CG1 3.48Å; L341-V354 HydrophobicContact CD2-CG1 3.87Å; L341-V354 HydrophobicContact CG-CG1 3.89Å; L352-V354 PolarHBondContact O-N 2.84Å; V354-V356 VanDerWaalsContact C-N 3.26Å; V354-V356 PolarHBondContact O-N 3.47Å; V354-C357 PolarHBondContact O-N 3.3Å
355	E	93.7	Very high	90.1	Very high	37 Å²	37	60.1 Å²	60.1	17%	0.173	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-70.1	-20.7	179.7	65.3	171.1	-132.6	0	0	114.1	L243 L333 R334 Y335 P353	L243-E355 HydrophobicContact CD1-CB 3.95Å; L333-E355 WeakPolarHBondContact CA-OE1 3.25Å; L333-E355 WeakPolarHBondContact CB-OE1 3.39Å; L333-E355 HydrophobicContact CD2-CG 4.02Å; L333-E355 WeakPolarHBondContact CD2-OE1 3.49Å; R334-E355 WeakPolarHBondContact CA-OE2 3.41Å; R334-E355 PolarHBondContact N-OE1 3.22Å; R334-E355 VanDerWaalsContact N-OE1 3.1Å; R334-E355 PolarHBondContact N-OE2 3.36Å; Y335-E355 HydrophobicContact CD2-CB 3.99Å; Y335-E355 WeakPolarHBondContact CD2-OE2 3.36Å; Y335-E355 PolarHBondContact N-OE2 3.09Å; P353-E355 HydrophobicContact CB-CG 4.21Å; P353-E355 PolarHBondContact O-N 2.98Å; P353-E355 VanDerWaalsContact O-N 3.15Å
356	V	94.3	Very high	89.7	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.024	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-102.8	16.7	177.7	-59.7	0	0	0	0	112.6	V289 T290 H291 F326 L331 L333 P353 V354	V289-V356 CarbonylContact C-O 3.59Å; V289-V356 VanDerWaalsContact CA-O 3.24Å; V289-V356 WeakPolarHBondContact CA-O 3.47Å; T290-V356 PolarHBondContact N-O 2.83Å; T290-V356 VanDerWaalsContact OG1-CA 3.3Å; T290-V356 WeakPolarHBondContact OG1-CA 3.48Å; T290-V356 PolarHBondContact OG1-O 3.5Å; H291-V356 HydrophobicContact CB-CB 4.18Å; H291-V356 HydrophobicContact CB-CG1 4.05Å; H291-V356 WeakPolarHBondContact ND1-CG2 3.5Å; F326-V356 HydrophobicContact CE1-CG1 4.16Å; F326-V356 HydrophobicContact CE1-CG2 3.82Å; F326-V356 HydrophobicContact CZ-CG2 4.06Å; L331-V356 HydrophobicContact CD2-CG1 4.44Å; L333-V356 HydrophobicContact CD2-CG1 4.47Å; P353-V356 HydrophobicContact CB-CG2 4.11Å; P353-V356 HydrophobicContact CG-CG2 4.32Å; P353-V356 WeakPolarHBondContact O-CG2 3.29Å; P353-V356 PolarHBondContact O-N 2.76Å; P353-V356 VanDerWaalsContact O-N 3.11Å; V354-V356 VanDerWaalsContact C-N 3.26Å; V354-V356 PolarHBondContact O-N 3.47Å
357	C	95.7	Very high	89	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.8	-176.3	-70.9	0	0	0	0	112.2	V242 V287 T288 L341 L352 P353 V354	V242-C357 HydrophobicContact CB-CB 4Å; V242-C357 HydrophobicContact CG2-CB 3.56Å; V242-C357 WeakPolarHBondContact CG2-O 3.5Å; V242-C357 PolarHBondContact N-O 3.23Å; V287-C357 HydrophobicContact CB-CB 4.46Å; V287-C357 HydrophobicContact CG2-CB 4.5Å; T288-C357 WeakPolarHBondContact O-CA 3.42Å; L341-C357 HydrophobicContact CD1-CB 3.94Å; L352-C357 VanDerWaalsContact CB-SG 3.57Å; P353-C357 PolarHBondContact O-SG 2.93Å; V354-C357 PolarHBondContact O-N 3.3Å
358	N	96.7	Very high	88.5	Confident	56 Å²	56	48.5 Å²	48.5	30%	0.299	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143	171.7	-71.4	-23.3	0	0	0	110.4	Q240 S241 V287 T288 T290 A360	Q240-N358 CarbonylContact O-C 3.18Å; Q240-N358 WeakPolarHBondContact O-CA 3.41Å; S241-N358 WeakPolarHBondContact CA-OD1 3.39Å; V287-N358 CarbonylContact C-O 3.59Å; V287-N358 WeakPolarHBondContact CA-O 3.33Å; V287-N358 WeakPolarHBondContact CB-O 3.46Å; T288-N358 PolarHBondContact N-O 3.42Å; T288-N358 PolarHBondContact O-N 2.82Å; T290-N358 VanDerWaalsContact CG2-ND2 3.29Å; T290-N358 WeakPolarHBondContact CG2-ND2 3.28Å; N358-A360 PolarHBondContact O-N 2.8Å
359	V	95.7	Very high	88.3	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	125.4	171.5	-178.9	0	0	0	0	109.2	Q240 V242 Y245 L285	Q240-V359 HydrophobicContact CG-CG2 4.3Å; Q240-V359 PolarHBondContact O-N 3.02Å; V242-V359 HydrophobicContact CG2-CG2 4.23Å; Y245-V359 HydrophobicContact CD2-CG2 4.35Å; Y245-V359 HydrophobicContact CG-CG2 4.04Å; L285-V359 HydrophobicContact CD1-CG1 4.03Å; L285-V359 HydrophobicContact CD2-CG2 4.18Å
360	A	92	Very high	88.3	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-66	138.9	-177	0	0	0	0	0	112.2	R286 Q297 N358 Q363	R286-A360 HydrophobicContact CB-CB 3.83Å; R286-A360 VanDerWaalsContact O-CB 3.24Å; R286-A360 WeakPolarHBondContact O-CB 3.28Å; R286-A360 PolarHBondContact O-N 2.91Å; Q297-A360 HydrophobicContact CG-CB 4.07Å; N358-A360 PolarHBondContact O-N 2.8Å; A360-Q363 WeakPolarHBondContact O-CB 3.49Å
361	E	90.7	Very high	88.1	Confident	124 Å²	124	45.1 Å²	45.1	58%	0.579	24%	0.242	S	C	*	.	S	Bend	trans	-65.9	163.1	177.6	-61.5	-176.2	-179.5	0	0	113.4	P239 Q363	P239-E361 HydrophobicContact CB-CG 3.91Å; P239-E361 HydrophobicContact CG-CB 4.41Å; P239-E361 HydrophobicContact CG-CG 3.88Å; E361-Q363 PolarHBondContact O-N 2.86Å; E361-Q363 VanDerWaalsContact O-N 3.11Å
362	K	90	Very high	87.9	Confident	69 Å²	69	45.5 Å²	45.5	30%	0.3	26%	0.261	S	S	.	.	S	Bend	trans	51.8	35.2	176.8	-56.9	-174.9	-177.1	-167.6	0	113.4	E183 F185 C186 V195 W210	E183-K362 PolarHBondContact O-NZ 3.33Å; F185-K362 PolarHBondContact O-NZ 3.06Å; C186-K362 HydrophobicContact CB-CB 4.46Å; V195-K362 HydrophobicContact CG2-CD 4.39Å; V195-K362 HydrophobicContact CG2-CG 4.3Å; W210-K362 HydrophobicContact CH2-CG 4.26Å
363	Q	90.9	Very high	87.6	Confident	11 Å²	11	47.9 Å²	47.9	5%	0.051	27%	0.271	C	S	.	.			trans	-102.8	106.4	-179.2	-172.8	179.4	-169.4	0	0	110.6	F236 Y237 R286 A360 E361 Y365	F236-Q363 CarbonylContact C-O 3.49Å; F236-Q363 WeakPolarHBondContact CA-O 3.18Å; Y237-Q363 HydrophobicContact CD2-CB 4.15Å; Y237-Q363 HydrophobicContact CD2-CG 3.65Å; Y237-Q363 HydrophobicContact CE2-CG 4.16Å; Y237-Q363 PolarHBondContact N-O 3.06Å; R286-Q363 PolarHBondContact O-NE2 2.76Å; R286-Q363 VanDerWaalsContact O-NE2 3.12Å; A360-Q363 WeakPolarHBondContact O-CB 3.49Å; E361-Q363 PolarHBondContact O-N 2.86Å; E361-Q363 VanDerWaalsContact O-N 3.11Å; Q363-Y365 PolarHBondContact O-N 3.13Å
364	R	90.9	Very high	87.5	Confident	134 Å²	134	47.7 Å²	47.7	51%	0.506	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-60.4	137.4	174.1	-169.4	179.1	179	-169.6	2	110.5	A235 F236 G366	A235-R364 WeakPolarHBondContact O-CG 3.46Å; F236-R364 HydrophobicContact CD1-CB 4.23Å; F236-R364 HydrophobicContact CE1-CB 4Å; F236-R364 HydrophobicContact CZ-CB 4.48Å; R364-G366 PolarHBondContact O-N 3.17Å; R364-G366 VanDerWaalsContact O-N 3.12Å
365	Y	90.2	Very high	87.4	Confident	46 Å²	46	50.3 Å²	50.3	18%	0.18	29%	0.287	C	S	.	.			trans	-66.9	110	173.9	-176	-99.5	0	0	0	109.8	V207 A235 Y237 Q363 A367 G368 L370	V207-Y365 HydrophobicContact CG1-CD2 4.27Å; V207-Y365 HydrophobicContact CG1-CG 4.22Å; V207-Y365 HydrophobicContact CG2-CD2 3.48Å; V207-Y365 VanDerWaalsContact CG2-CD2 3.48Å; V207-Y365 HydrophobicContact CG2-CE2 3.67Å; V207-Y365 HydrophobicContact CG2-CG 4.22Å; A235-Y365 WeakPolarHBondContact O-CB 3.3Å; A235-Y365 PolarHBondContact O-N 2.82Å; Y237-Y365 HydrophobicContact CD1-CD2 4.17Å; Y237-Y365 AromaticContact CE1-CD2 3.54Å; Y237-Y365 HydrophobicContact CE1-CD2 3.54Å; Y237-Y365 AromaticContact CE1-CE2 3.84Å; Y237-Y365 HydrophobicContact CE1-CE2 3.84Å; Y237-Y365 HydrophobicContact CE2-CD2 4.08Å; Y237-Y365 AromaticContact CZ-CD2 3.51Å; Y237-Y365 AromaticContact CZ-CE2 3.94Å; Q363-Y365 PolarHBondContact O-N 3.13Å; Y365-A367 HydrophobicContact CE2-CB 4.28Å; Y365-G368 WeakPolarHBondContact CE1-O 3.44Å; Y365-L370 HydrophobicContact CD1-CD2 3.76Å; Y365-L370 HydrophobicContact CE1-CD2 3.8Å
366	G	74	Confident	87.2	Confident	65 Å²	65	51.5 Å²	51.5	67%	0.67	30%	0.296	S	S	*	.			trans	-127.7	6.4	-176.8	0	0	0	0	0	114.5	R364 G368	R364-G366 PolarHBondContact O-N 3.17Å; R364-G366 VanDerWaalsContact O-N 3.12Å; G366-G368 PolarHBondContact O-N 3.3Å
367	A	65.8	Low	87.1	Confident	58 Å²	58	54.1 Å²	54.1	48%	0.479	31%	0.31	S	S	.	.	S	Bend	trans	-73.8	-10.1	-176.3	0	0	0	0	0	114	Y237 Y365	Y237-A367 VanDerWaalsContact OH-CB 3.23Å; Y237-A367 WeakPolarHBondContact OH-CB 3.47Å; Y365-A367 HydrophobicContact CE2-CB 4.28Å
368	G	68.8	Low	87	Confident	32 Å²	32	55.4 Å²	55.4	33%	0.33	32%	0.318	S	S	.	.	S	Bend	trans	159.5	-164.6	176.9	0	0	0	0	0	113	Y365 G366	Y365-G368 WeakPolarHBondContact CE1-O 3.44Å; G366-G368 PolarHBondContact O-N 3.3Å
369	K	77.1	Confident	86.7	Confident	163 Å²	163	56.9 Å²	56.9	71%	0.709	32%	0.324	S	S	*	.	S	Bend	trans	-68.4	142.4	171.3	-68.7	-178.7	-179.8	173.5	0	109.5
370	L	86.3	Confident	86.4	Confident	47 Å²	47	65 Å²	65	25%	0.246	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-58.4	147.4	168.9	-66.5	177	0	0	0	110	A235 Y365 Q374 V378	A235-L370 HydrophobicContact CB-CD2 4.08Å; Y365-L370 HydrophobicContact CD1-CD2 3.76Å; Y365-L370 HydrophobicContact CE1-CD2 3.8Å; L370-Q374 HydrophobicContact CB-CB 3.9Å; L370-Q374 HydrophobicContact CD2-CB 4.31Å; L370-V378 HydrophobicContact CD1-CG2 3.91Å
371	S	86.5	Confident	86.3	Confident	33 Å²	33	69 Å²	69	23%	0.231	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-61.7	165.3	172.4	78.6	0	0	0	0	111.1	F373 Q374 T375	S371-F373 VanDerWaalsContact C-N 3.33Å; S371-F373 PolarHBondContact O-N 3.22Å; S371-F373 WeakPolarHBondContact OG-CD1 3.41Å; S371-F373 WeakPolarHBondContact OG-CE1 3.44Å; S371-F373 WeakPolarHBondContact OG-CG 3.41Å; S371-F373 VanDerWaalsContact OG-CZ 3.29Å; S371-F373 WeakPolarHBondContact OG-CZ 3.39Å; S371-Q374 PolarHBondContact O-N 2.84Å; S371-Q374 WeakPolarHBondContact OG-CB 3.34Å; S371-Q374 WeakPolarHBondContact OG-CG 3.38Å; S371-Q374 PolarHBondContact OG-N 3.03Å; S371-Q374 VanDerWaalsContact OG-N 3.1Å; S371-T375 WeakPolarHBondContact O-CB 3.4Å; S371-T375 PolarHBondContact O-N 2.84Å; S371-T375 PolarHBondContact O-OG1 3.12Å
372	G	84.9	Confident	86.4	Confident	58 Å²	58	64.5 Å²	64.5	60%	0.598	36%	0.355	S	S	*	.	H	α-helix	trans	-60.1	-41.2	177.5	0	0	0	0	0	113.1	T376	G372-T376 PolarHBondContact O-N 3.19Å; G372-T376 VanDerWaalsContact O-N 3.09Å; G372-T376 PolarHBondContact O-OG1 3.23Å
373	F	87.2	Confident	86.4	Confident	55 Å²	55	63 Å²	63	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-71.4	-39.4	177.6	74.6	-100.7	0	0	0	111.5	K204 L205 D253 S371 T375 T376 L377	K204-F373 HydrophobicContact CB-CE2 3.82Å; K204-F373 HydrophobicContact CB-CZ 4.28Å; K204-F373 HydrophobicContact CG-CE2 4Å; L205-F373 HydrophobicContact CD1-CE1 4.3Å; L205-F373 HydrophobicContact CD1-CZ 3.73Å; L205-F373 HydrophobicContact CG-CZ 4.05Å; D253-F373 HydrophobicContact CB-CD1 3.94Å; D253-F373 HydrophobicContact CB-CD2 4.03Å; D253-F373 HydrophobicContact CB-CE1 3.92Å; D253-F373 HydrophobicContact CB-CE2 4.03Å; D253-F373 HydrophobicContact CB-CG 4.02Å; D253-F373 HydrophobicContact CB-CZ 3.98Å; S371-F373 VanDerWaalsContact C-N 3.33Å; S371-F373 PolarHBondContact O-N 3.22Å; S371-F373 WeakPolarHBondContact OG-CD1 3.41Å; S371-F373 WeakPolarHBondContact OG-CE1 3.44Å; S371-F373 WeakPolarHBondContact OG-CG 3.41Å; S371-F373 VanDerWaalsContact OG-CZ 3.29Å; S371-F373 WeakPolarHBondContact OG-CZ 3.39Å; F373-T375 PolarHBondContact O-N 2.85Å; F373-T376 WeakPolarHBondContact O-CB 3.31Å; F373-T376 PolarHBondContact O-N 2.94Å; F373-L377 HydrophobicContact CD2-CD1 4.31Å; F373-L377 WeakPolarHBondContact O-CG 3.47Å; F373-L377 PolarHBondContact O-N 2.9Å
374	Q	92.6	Very high	86.6	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-59.4	-47.7	174.1	-83.5	178.8	-35.9	0	0	111.2	L203 K204 L370 S371 T376 L377 V378	L203-Q374 HydrophobicContact CB-CG 4.24Å; L203-Q374 WeakPolarHBondContact O-CG 3.08Å; L203-Q374 PolarHBondContact O-NE2 3.21Å; K204-Q374 PolarHBondContact O-NE2 2.92Å; L370-Q374 HydrophobicContact CB-CB 3.9Å; L370-Q374 HydrophobicContact CD2-CB 4.31Å; S371-Q374 PolarHBondContact O-N 2.84Å; S371-Q374 WeakPolarHBondContact OG-CB 3.34Å; S371-Q374 WeakPolarHBondContact OG-CG 3.38Å; S371-Q374 PolarHBondContact OG-N 3.03Å; S371-Q374 VanDerWaalsContact OG-N 3.1Å; Q374-T376 PolarHBondContact O-N 2.84Å; Q374-L377 WeakPolarHBondContact O-CB 3.39Å; Q374-L377 PolarHBondContact O-N 3.03Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; Q374-V378 WeakPolarHBondContact O-CG2 3.48Å; Q374-V378 PolarHBondContact O-N 2.97Å
375	T	91.2	Very high	86.9	Confident	59 Å²	59	59.1 Å²	59.1	36%	0.362	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-40.2	177.3	-57	0	0	0	0	110.9	S371 F373 V378 I379	S371-T375 WeakPolarHBondContact O-CB 3.4Å; S371-T375 PolarHBondContact O-N 2.84Å; S371-T375 PolarHBondContact O-OG1 3.12Å; F373-T375 PolarHBondContact O-N 2.85Å; T375-V378 PolarHBondContact O-N 2.87Å; T375-I379 HydrophobicContact CG2-CD1 3.98Å; T375-I379 VanDerWaalsContact O-CG1 3.25Å; T375-I379 WeakPolarHBondContact O-CG1 3.36Å; T375-I379 PolarHBondContact O-N 3.25Å
376	T	90.5	Very high	87.2	Confident	61 Å²	61	57 Å²	57	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-42.8	176.2	-58.1	0	0	0	0	112	G372 F373 Q374 I379 R380	G372-T376 PolarHBondContact O-N 3.19Å; G372-T376 VanDerWaalsContact O-N 3.09Å; G372-T376 PolarHBondContact O-OG1 3.23Å; F373-T376 WeakPolarHBondContact O-CB 3.31Å; F373-T376 PolarHBondContact O-N 2.94Å; Q374-T376 PolarHBondContact O-N 2.84Å; T376-I379 PolarHBondContact O-N 3.15Å; T376-R380 WeakPolarHBondContact O-CG 3.29Å; T376-R380 PolarHBondContact O-N 2.87Å
377	L	92.6	Very high	88.3	Confident	59 Å²	59	54.7 Å²	54.7	31%	0.309	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-45	174.5	-70.2	173	0	0	0	111.4	L203 F373 Q374 I379 R380 Q381	L203-L377 HydrophobicContact CD2-CB 3.74Å; F373-L377 HydrophobicContact CD2-CD1 4.31Å; F373-L377 WeakPolarHBondContact O-CG 3.47Å; F373-L377 PolarHBondContact O-N 2.9Å; Q374-L377 WeakPolarHBondContact O-CB 3.39Å; Q374-L377 PolarHBondContact O-N 3.03Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; L377-I379 PolarHBondContact O-N 3.32Å; L377-R380 PolarHBondContact O-N 3.06Å; L377-Q381 WeakPolarHBondContact O-CB 3.45Å; L377-Q381 PolarHBondContact O-N 3.48Å
378	V	93.6	Very high	89.7	Confident	28 Å²	28	54.6 Å²	54.6	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-48	175.4	173.2	0	0	0	0	111.1	L203 L209 L370 Q374 T375 R380 Q381 C382	L203-V378 HydrophobicContact CD1-CG2 3.56Å; L203-V378 HydrophobicContact CD2-CG2 3.79Å; L203-V378 HydrophobicContact CG-CG2 4.35Å; L209-V378 HydrophobicContact CD1-CG1 4.27Å; L209-V378 HydrophobicContact CD1-CG2 4.01Å; L209-V378 HydrophobicContact CD2-CG1 4.38Å; L209-V378 HydrophobicContact CD2-CG2 4.34Å; L370-V378 HydrophobicContact CD1-CG2 3.91Å; Q374-V378 WeakPolarHBondContact O-CG2 3.48Å; Q374-V378 PolarHBondContact O-N 2.97Å; T375-V378 PolarHBondContact O-N 2.87Å; V378-R380 VanDerWaalsContact C-N 3.31Å; V378-R380 PolarHBondContact O-N 2.75Å; V378-Q381 PolarHBondContact O-N 2.77Å; V378-C382 VanDerWaalsContact O-CB 3.26Å; V378-C382 WeakPolarHBondContact O-CB 3.1Å; V378-C382 PolarHBondContact O-N 2.89Å; V378-C382 PolarHBondContact O-SG 2.83Å
379	I	89.7	Confident	91	Very high	86 Å²	86	54.1 Å²	54.1	44%	0.441	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-44.8	179.2	-71.4	165.3	0	0	0	110.9	T375 T376 L377 A383	T375-I379 HydrophobicContact CG2-CD1 3.98Å; T375-I379 VanDerWaalsContact O-CG1 3.25Å; T375-I379 WeakPolarHBondContact O-CG1 3.36Å; T375-I379 PolarHBondContact O-N 3.25Å; T376-I379 PolarHBondContact O-N 3.15Å; L377-I379 PolarHBondContact O-N 3.32Å; I379-A383 VanDerWaalsContact O-CB 3.28Å; I379-A383 WeakPolarHBondContact O-CB 3.48Å; I379-A383 PolarHBondContact O-N 3.12Å
380	R	89.5	Confident	91.9	Very high	174 Å²	174	46.5 Å²	46.5	66%	0.657	26%	0.258	S	S	*	.	H	α-helix	trans	-62.8	-44.2	178	-72.2	175.8	-177.8	-177.7	1.1	111.7	T376 L377 V378	T376-R380 WeakPolarHBondContact O-CG 3.29Å; T376-R380 PolarHBondContact O-N 2.87Å; L377-R380 PolarHBondContact O-N 3.06Å; V378-R380 VanDerWaalsContact C-N 3.31Å; V378-R380 PolarHBondContact O-N 2.75Å
381	Q	89.5	Confident	92.4	Very high	87 Å²	87	51.5 Å²	51.5	41%	0.407	28%	0.278	S	S	.	.	H	α-helix	trans	-73.2	-33.1	-176.9	-165	63.9	15.9	0	0	113.5	V201 L209 L377 V378	V201-Q381 HydrophobicContact CB-CG 4.28Å; V201-Q381 HydrophobicContact CG1-CG 3.98Å; V201-Q381 HydrophobicContact CG2-CG 3.95Å; L209-Q381 HydrophobicContact CD2-CB 3.87Å; L209-Q381 HydrophobicContact CD2-CG 3.94Å; L377-Q381 WeakPolarHBondContact O-CB 3.45Å; L377-Q381 PolarHBondContact O-N 3.48Å; V378-Q381 PolarHBondContact O-N 2.77Å
382	C	92	Very high	92.8	Very high	29 Å²	29	51 Å²	51	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-82	-16.5	-179.8	-66.9	0	0	0	0	113.4	H233 V378 M384	H233-C382 VanDerWaalsContact CB-SG 3.58Å; V378-C382 VanDerWaalsContact O-CB 3.26Å; V378-C382 WeakPolarHBondContact O-CB 3.1Å; V378-C382 PolarHBondContact O-N 2.89Å; V378-C382 PolarHBondContact O-SG 2.83Å; C382-M384 PolarHBondContact O-N 2.93Å
383	A	91.7	Very high	93.3	Very high	36 Å²	36	48.2 Å²	48.2	30%	0.298	25%	0.245	S	C	.	.			trans	-73.9	115.9	-174.8	0	0	0	0	0	111.1	I379 Q761	I379-A383 VanDerWaalsContact O-CB 3.28Å; I379-A383 WeakPolarHBondContact O-CB 3.48Å; I379-A383 PolarHBondContact O-N 3.12Å; A383-Q761 HydrophobicContact CB-CG 3.6Å
384	M	94.7	Very high	93.6	Very high	25 Å²	25	47.4 Å²	47.4	12%	0.123	24%	0.242	C	C	.	.			trans	-134.8	143.9	175.2	-65.8	172.4	-81.7	0	0	108.5	V231 C382 T388 R389 V392 G762 T763	V231-M384 HydrophobicContact CB-CE 4.31Å; V231-M384 HydrophobicContact CG1-CE 4.17Å; V231-M384 HydrophobicContact CG2-CE 4.36Å; C382-M384 PolarHBondContact O-N 2.93Å; M384-T388 HydrophobicContact CB-CG2 4.46Å; M384-R389 HydrophobicContact CB-CB 4.24Å; M384-V392 HydrophobicContact SD-CG2 4.16Å; M384-G762 CarbonylContact O-C 3.58Å; M384-G762 VanDerWaalsContact O-C 3.28Å; M384-G762 WeakPolarHBondContact O-CA 3.24Å; M384-T763 PolarHBondContact O-N 3.32Å; M384-T763 PolarHBondContact O-OG1 2.96Å
385	D	96.1	Very high	93.7	Very high	40 Å²	40	52 Å²	52	21%	0.214	26%	0.264	C	S	.	.			trans	-62.2	159.8	168	63.1	97.3	0	0	0	111.1	P387 T388 R389 G731	D385-P387 VanDerWaalsContact OD1-CD 3.28Å; D385-P387 WeakPolarHBondContact OD1-CD 3.19Å; D385-T388 PolarHBondContact O-N 3.35Å; D385-T388 WeakPolarHBondContact OD1-CB 3.46Å; D385-T388 PolarHBondContact OD1-N 3.31Å; D385-T388 PolarHBondContact OD1-OG1 3.1Å; D385-T388 WeakPolarHBondContact OD2-CB 3.46Å; D385-T388 PolarHBondContact OD2-OG1 3.3Å; D385-R389 WeakPolarHBondContact O-CB 3.44Å; D385-R389 PolarHBondContact O-N 3.11Å; D385-G731 CarbonylContact C-O 3.51Å; D385-G731 VanDerWaalsContact CA-O 3.29Å; D385-G731 WeakPolarHBondContact CA-O 3.43Å; D385-G731 WeakPolarHBondContact CB-O 2.96Å
386	A	96.5	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-48.6	-172.6	0	0	0	0	0	113.3	T388 R389 L390 M720 G731 R732 T763	A386-T388 PolarHBondContact O-N 3.32Å; A386-R389 PolarHBondContact O-N 2.91Å; A386-L390 WeakPolarHBondContact O-CD1 3.22Å; A386-L390 PolarHBondContact O-N 2.8Å; A386-L390 VanDerWaalsContact O-N 3.13Å; A386-M720 HydrophobicContact CB-CB 3.92Å; A386-G731 PolarHBondContact N-O 3.36Å; A386-R732 WeakPolarHBondContact CB-O 3.01Å; A386-T763 WeakPolarHBondContact CA-OG1 3.4Å; A386-T763 HydrophobicContact CB-CG2 3.63Å
387	P	96.8	Very high	93.8	Very high	18 Å²	18	47.6 Å²	47.6	12%	0.117	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-48.1	175.2	-25.7	34.8	0	0	0	113.4	D385 R389 L390 K391 M720 R732	D385-P387 VanDerWaalsContact OD1-CD 3.28Å; D385-P387 WeakPolarHBondContact OD1-CD 3.19Å; P387-R389 VanDerWaalsContact C-N 3.31Å; P387-R389 PolarHBondContact O-N 3.15Å; P387-L390 PolarHBondContact O-N 2.95Å; P387-K391 WeakPolarHBondContact O-CG 3.28Å; P387-K391 PolarHBondContact O-N 2.84Å; P387-M720 HydrophobicContact CB-SD 4.24Å; P387-M720 HydrophobicContact CG-SD 4.42Å; P387-R732 HydrophobicContact CG-CB 4.21Å
388	T	96.9	Very high	93.6	Very high	55 Å²	55	52.5 Å²	52.5	34%	0.337	25%	0.25	S	C	.	.	H	α-helix	trans	-60.4	-42.5	178.3	-60.3	0	0	0	0	111.3	M384 D385 A386 L390 K391 V392	M384-T388 HydrophobicContact CB-CG2 4.46Å; D385-T388 PolarHBondContact O-N 3.35Å; D385-T388 WeakPolarHBondContact OD1-CB 3.46Å; D385-T388 PolarHBondContact OD1-N 3.31Å; D385-T388 PolarHBondContact OD1-OG1 3.1Å; D385-T388 WeakPolarHBondContact OD2-CB 3.46Å; D385-T388 PolarHBondContact OD2-OG1 3.3Å; A386-T388 PolarHBondContact O-N 3.32Å; T388-L390 PolarHBondContact O-N 2.76Å; T388-K391 PolarHBondContact O-N 2.87Å; T388-V392 HydrophobicContact CG2-CG2 4.37Å; T388-V392 WeakPolarHBondContact O-CG2 3.08Å; T388-V392 PolarHBondContact O-N 3.47Å
389	R	95.8	Very high	93.3	Very high	22 Å²	22	56 Å²	56	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-45.7	178.1	-174.9	179	-175.1	82	-0.3	112.1	D230 V231 M384 D385 A386 P387 V392 C393 T763	D230-R389 IonicContact OD1-CZ 2.72Å; D230-R389 IonicContact OD1-NE 3.11Å; D230-R389 PolarHBondContact OD1-NE 2.93Å; D230-R389 IonicContact OD1-NH2 3.42Å; D230-R389 PolarHBondContact OD1-NH2 2.81Å; D230-R389 IonicContact OD2-CZ 2.78Å; D230-R389 IonicContact OD2-NH2 3.22Å; D230-R389 PolarHBondContact OD2-NH2 3.1Å; V231-R389 HydrophobicContact CG2-CG 4.36Å; V231-R389 PolarHBondContact O-NH2 3.25Å; M384-R389 HydrophobicContact CB-CB 4.24Å; D385-R389 WeakPolarHBondContact O-CB 3.44Å; D385-R389 PolarHBondContact O-N 3.11Å; A386-R389 PolarHBondContact O-N 2.91Å; P387-R389 VanDerWaalsContact C-N 3.31Å; P387-R389 PolarHBondContact O-N 3.15Å; R389-V392 PolarHBondContact O-N 3.44Å; R389-C393 PolarHBondContact O-N 3Å; R389-C393 PolarHBondContact O-SG 2.83Å; R389-C393 VanDerWaalsContact O-SG 3.37Å; R389-T763 VanDerWaalsContact CD-OG1 3.24Å; R389-T763 WeakPolarHBondContact CD-OG1 3.31Å
390	L	96.3	Very high	93.2	Very high	3 Å²	3	52 Å²	52	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-40	179	-92.2	72.7	0	0	0	111.8	V36 N38 A386 P387 T388 V392 C393 M394 F419 R718 M720	V36-L390 HydrophobicContact CB-CD2 4.46Å; V36-L390 HydrophobicContact CG1-CD2 4.09Å; N38-L390 HydrophobicContact CB-CG 4.4Å; A386-L390 WeakPolarHBondContact O-CD1 3.22Å; A386-L390 PolarHBondContact O-N 2.8Å; A386-L390 VanDerWaalsContact O-N 3.13Å; P387-L390 PolarHBondContact O-N 2.95Å; T388-L390 PolarHBondContact O-N 2.76Å; L390-V392 VanDerWaalsContact C-N 3.34Å; L390-V392 PolarHBondContact O-N 3.08Å; L390-C393 WeakPolarHBondContact O-CB 3.21Å; L390-C393 PolarHBondContact O-N 3.09Å; L390-M394 PolarHBondContact O-N 2.92Å; L390-F419 HydrophobicContact CB-CD2 4.31Å; L390-F419 HydrophobicContact CB-CE2 3.74Å; L390-F419 HydrophobicContact CB-CZ 4.49Å; L390-F419 HydrophobicContact CD2-CD2 3.91Å; L390-F419 HydrophobicContact CD2-CE2 4.07Å; L390-F419 HydrophobicContact CG-CD2 4.25Å; L390-F419 HydrophobicContact CG-CE2 3.88Å; L390-F419 HydrophobicContact CG-CZ 4.41Å; L390-F419 VanDerWaalsContact O-CE2 3.31Å; L390-F419 WeakPolarHBondContact O-CE2 3.44Å; L390-R718 HydrophobicContact CD1-CB 4.48Å; L390-M720 HydrophobicContact CB-SD 4.2Å; L390-M720 HydrophobicContact CD2-CE 3.88Å; L390-M720 HydrophobicContact CD2-CG 3.84Å; L390-M720 HydrophobicContact CD2-SD 3.77Å; L390-M720 HydrophobicContact CG-SD 4.46Å
391	K	96.1	Very high	93	Very high	153 Å²	153	46.1 Å²	46.1	67%	0.665	23%	0.226	S	C	*	.	H	α-helix	trans	-57.5	-46.7	173	-72.7	177.2	-178.3	-178.8	0	111.6	P387 T388 C393 M394 E395	P387-K391 WeakPolarHBondContact O-CG 3.28Å; P387-K391 PolarHBondContact O-N 2.84Å; T388-K391 PolarHBondContact O-N 2.87Å; K391-C393 VanDerWaalsContact C-N 3.35Å; K391-C393 PolarHBondContact O-N 3.13Å; K391-M394 PolarHBondContact O-N 3.36Å; K391-E395 PolarHBondContact O-N 2.94Å
392	V	95.5	Very high	92.9	Very high	21 Å²	21	42 Å²	42	13%	0.127	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-41.2	176.3	173.7	0	0	0	0	111.2	V231 M384 T388 R389 L390 M394 E395 M396	V231-V392 HydrophobicContact CG2-CB 4.14Å; V231-V392 HydrophobicContact CG2-CG1 3.66Å; M384-V392 HydrophobicContact SD-CG2 4.16Å; T388-V392 HydrophobicContact CG2-CG2 4.37Å; T388-V392 WeakPolarHBondContact O-CG2 3.08Å; T388-V392 PolarHBondContact O-N 3.47Å; R389-V392 PolarHBondContact O-N 3.44Å; L390-V392 VanDerWaalsContact C-N 3.34Å; L390-V392 PolarHBondContact O-N 3.08Å; V392-M394 VanDerWaalsContact C-N 3.34Å; V392-M394 PolarHBondContact O-N 2.91Å; V392-E395 PolarHBondContact O-N 2.6Å; V392-M396 HydrophobicContact CG1-CG 4.19Å; V392-M396 HydrophobicContact CG1-SD 3.9Å; V392-M396 WeakPolarHBondContact O-CB 3.42Å; V392-M396 VanDerWaalsContact O-CG 3.24Å; V392-M396 WeakPolarHBondContact O-CG 3.22Å; V392-M396 PolarHBondContact O-N 3.07Å
393	C	95.4	Very high	92.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-46.3	174	-72.3	0	0	0	0	112.2	I229 V231 R389 L390 K391 M396 M397 F419	I229-C393 HydrophobicContact CG2-CB 4.34Å; V231-C393 VanDerWaalsContact CG2-SG 3.57Å; V231-C393 PolarHBondContact N-SG 2.67Å; V231-C393 VanDerWaalsContact N-SG 3.43Å; R389-C393 PolarHBondContact O-N 3Å; R389-C393 PolarHBondContact O-SG 2.83Å; R389-C393 VanDerWaalsContact O-SG 3.37Å; L390-C393 WeakPolarHBondContact O-CB 3.21Å; L390-C393 PolarHBondContact O-N 3.09Å; K391-C393 VanDerWaalsContact C-N 3.35Å; K391-C393 PolarHBondContact O-N 3.13Å; C393-M396 PolarHBondContact O-N 2.96Å; C393-M397 WeakPolarHBondContact O-CB 3.3Å; C393-M397 PolarHBondContact O-N 2.79Å; C393-F419 HydrophobicContact CB-CZ 3.79Å
394	M	93.6	Very high	92.3	Very high	38 Å²	38	44.2 Å²	44.2	19%	0.187	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-42.4	178.4	-83.2	-63.1	-174.4	0	0	112.6	V40 L390 K391 V392 M396 M397 R398 R417 T418 F419	V40-M394 HydrophobicContact CG1-CE 3.92Å; L390-M394 PolarHBondContact O-N 2.92Å; K391-M394 PolarHBondContact O-N 3.36Å; V392-M394 VanDerWaalsContact C-N 3.34Å; V392-M394 PolarHBondContact O-N 2.91Å; M394-M396 PolarHBondContact O-N 3.14Å; M394-M397 HydrophobicContact CE-CE 4.35Å; M394-M397 WeakPolarHBondContact O-CB 3.41Å; M394-M397 PolarHBondContact O-N 2.9Å; M394-M397 HydrophobicContact SD-CE 3.46Å; M394-M397 WeakPolarHBondContact SD-CE 3.4Å; M394-M397 HydrophobicContact SD-SD 4.37Å; M394-R398 PolarHBondContact O-N 3.04Å; M394-R417 VanDerWaalsContact CE-O 3.3Å; M394-R417 WeakPolarHBondContact CE-O 3.5Å; M394-T418 VanDerWaalsContact CE-C 3.47Å; M394-F419 HydrophobicContact CB-CE2 4.46Å; M394-F419 HydrophobicContact CE-CB 4.25Å; M394-F419 HydrophobicContact CE-CD1 3.64Å; M394-F419 HydrophobicContact CE-CD2 3.63Å; M394-F419 HydrophobicContact CE-CE1 3.76Å; M394-F419 HydrophobicContact CE-CE2 3.77Å; M394-F419 HydrophobicContact CE-CG 3.56Å; M394-F419 HydrophobicContact CE-CZ 3.81Å; M394-F419 VanDerWaalsContact CE-N 3.26Å; M394-F419 HydrophobicContact CG-CD2 4.03Å; M394-F419 HydrophobicContact CG-CE1 4.4Å; M394-F419 HydrophobicContact CG-CE2 3.34Å; M394-F419 HydrophobicContact CG-CZ 3.55Å; M394-F419 HydrophobicContact SD-CE1 4.41Å; M394-F419 HydrophobicContact SD-CE2 4.25Å; M394-F419 HydrophobicContact SD-CZ 4.1Å
395	E	93.5	Very high	92.2	Very high	98 Å²	98	43.1 Å²	43.1	46%	0.458	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-45.5	177.1	-177.4	171.9	-171.2	0	0	111.4	K391 V392 M397 R398 Q399	K391-E395 PolarHBondContact O-N 2.94Å; V392-E395 PolarHBondContact O-N 2.6Å; E395-M397 VanDerWaalsContact C-N 3.31Å; E395-M397 PolarHBondContact O-N 3.29Å; E395-R398 PolarHBondContact O-N 3.49Å; E395-Q399 HydrophobicContact CG-CG 4.5Å; E395-Q399 VanDerWaalsContact O-CG 3.32Å; E395-Q399 WeakPolarHBondContact O-CG 3.5Å; E395-Q399 PolarHBondContact O-N 2.84Å; E395-Q399 PolarHBondContact OE1-NE2 2.76Å
396	M	92.2	Very high	92	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-35.4	176.5	-68.7	-176.2	79.4	0	0	112.1	R211 G212 L213 V231 V392 C393 M394 Q399 A400	R211-M396 HydrophobicContact CG-CE 4.06Å; R211-M396 HydrophobicContact CG-SD 4.16Å; G212-M396 WeakPolarHBondContact O-CE 3.39Å; L213-M396 HydrophobicContact CB-CE 4.26Å; L213-M396 HydrophobicContact CD1-CB 3.84Å; L213-M396 HydrophobicContact CD2-CB 4.27Å; L213-M396 HydrophobicContact CG-CB 4.49Å; V231-M396 HydrophobicContact CG1-SD 4.19Å; V231-M396 HydrophobicContact CG2-SD 4.38Å; V392-M396 HydrophobicContact CG1-CG 4.19Å; V392-M396 HydrophobicContact CG1-SD 3.9Å; V392-M396 WeakPolarHBondContact O-CB 3.42Å; V392-M396 VanDerWaalsContact O-CG 3.24Å; V392-M396 WeakPolarHBondContact O-CG 3.22Å; V392-M396 PolarHBondContact O-N 3.07Å; C393-M396 PolarHBondContact O-N 2.96Å; M394-M396 PolarHBondContact O-N 3.14Å; M396-Q399 PolarHBondContact O-N 2.95Å; M396-A400 VanDerWaalsContact O-CB 3.32Å; M396-A400 WeakPolarHBondContact O-CB 3.18Å; M396-A400 PolarHBondContact O-N 2.86Å
397	M	91.2	Very high	91.9	Very high	11 Å²	11	45.4 Å²	45.4	5%	0.054	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-44	173.9	-170.5	-178.5	75.2	0	0	111.5	V40 I229 C393 M394 E395 A400 N401 L402 I415	V40-M397 HydrophobicContact CG1-SD 4.43Å; I229-M397 HydrophobicContact CD1-CG 4Å; I229-M397 HydrophobicContact CD1-SD 3.32Å; I229-M397 WeakPolarHBondContact CD1-SD 3.41Å; C393-M397 WeakPolarHBondContact O-CB 3.3Å; C393-M397 PolarHBondContact O-N 2.79Å; M394-M397 HydrophobicContact CE-CE 4.35Å; M394-M397 WeakPolarHBondContact O-CB 3.41Å; M394-M397 PolarHBondContact O-N 2.9Å; M394-M397 HydrophobicContact SD-CE 3.46Å; M394-M397 WeakPolarHBondContact SD-CE 3.4Å; M394-M397 HydrophobicContact SD-SD 4.37Å; E395-M397 VanDerWaalsContact C-N 3.31Å; E395-M397 PolarHBondContact O-N 3.29Å; M397-A400 PolarHBondContact O-N 3.33Å; M397-N401 PolarHBondContact O-N 3.28Å; M397-L402 HydrophobicContact CG-CB 4.24Å; M397-L402 HydrophobicContact CG-CD1 3.74Å; M397-L402 HydrophobicContact CG-CG 4.45Å; M397-L402 PolarHBondContact O-N 2.9Å; M397-I415 HydrophobicContact SD-CD1 4.31Å
398	R	90.2	Very high	91.8	Very high	162 Å²	162	44.7 Å²	44.7	61%	0.611	21%	0.209	S	C	*	.	H	α-helix	trans	-65.4	-43	176.1	-169.5	-174.3	69.9	117.6	-1	111.7	M394 E395 A400 N401	M394-R398 PolarHBondContact O-N 3.04Å; E395-R398 PolarHBondContact O-N 3.49Å; R398-A400 VanDerWaalsContact C-N 3.34Å; R398-A400 PolarHBondContact O-N 3.49Å; R398-N401 VanDerWaalsContact O-CA 3.29Å; R398-N401 WeakPolarHBondContact O-CA 3.47Å; R398-N401 PolarHBondContact O-N 3.36Å
399	Q	87	Confident	91.7	Very high	100 Å²	100	47.7 Å²	47.7	47%	0.467	22%	0.218	S	C	.	.	H	α-helix	trans	-64.7	-36.7	176.2	-72.8	172	-6.8	0	0	112.5	E395 M396 N401	E395-Q399 HydrophobicContact CG-CG 4.5Å; E395-Q399 VanDerWaalsContact O-CG 3.32Å; E395-Q399 WeakPolarHBondContact O-CG 3.5Å; E395-Q399 PolarHBondContact O-N 2.84Å; E395-Q399 PolarHBondContact OE1-NE2 2.76Å; M396-Q399 PolarHBondContact O-N 2.95Å; Q399-N401 PolarHBondContact O-N 3.17Å
400	A	86.4	Confident	91.6	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.4	170.8	0	0	0	0	0	112.6	R181 L213 M396 M397 R398 L402	R181-A400 PolarHBondContact NH1-O 2.94Å; L213-A400 HydrophobicContact CD2-CB 4.39Å; M396-A400 VanDerWaalsContact O-CB 3.32Å; M396-A400 WeakPolarHBondContact O-CB 3.18Å; M396-A400 PolarHBondContact O-N 2.86Å; M397-A400 PolarHBondContact O-N 3.33Å; R398-A400 VanDerWaalsContact C-N 3.34Å; R398-A400 PolarHBondContact O-N 3.49Å; A400-L402 HydrophobicContact CB-CG 4.25Å; A400-L402 PolarHBondContact O-N 3.39Å
401	N	86.7	Confident	91.5	Very high	49 Å²	49	51.2 Å²	51.2	26%	0.262	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	43.3	179.7	-172.1	36.6	0	0	0	111.8	M397 R398 Q399 E403 N404 D405	M397-N401 PolarHBondContact O-N 3.28Å; R398-N401 VanDerWaalsContact O-CA 3.29Å; R398-N401 WeakPolarHBondContact O-CA 3.47Å; R398-N401 PolarHBondContact O-N 3.36Å; Q399-N401 PolarHBondContact O-N 3.17Å; N401-E403 VanDerWaalsContact C-N 3.26Å; N401-E403 PolarHBondContact O-N 2.89Å; N401-N404 CarbonylContact O-C 3.54Å; N401-N404 PolarHBondContact O-N 3.07Å; N401-N404 WeakPolarHBondContact OD1-CB 3.23Å; N401-N404 PolarHBondContact OD1-ND2 3.06Å; N401-D405 PolarHBondContact O-N 2.85Å
402	L	86.6	Confident	91.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-62.6	-33.7	179.6	-81.5	179.3	0	0	0	112.7	I215 M397 A400 N404 D405 L408 I415	I215-L402 HydrophobicContact CD1-CD1 3.4Å; I215-L402 VanDerWaalsContact CD1-CD1 3.4Å; I215-L402 HydrophobicContact CD1-CD2 4.48Å; I215-L402 HydrophobicContact CD1-CG 4.42Å; M397-L402 HydrophobicContact CG-CB 4.24Å; M397-L402 HydrophobicContact CG-CD1 3.74Å; M397-L402 HydrophobicContact CG-CG 4.45Å; M397-L402 PolarHBondContact O-N 2.9Å; A400-L402 HydrophobicContact CB-CG 4.25Å; A400-L402 PolarHBondContact O-N 3.39Å; L402-N404 PolarHBondContact O-N 3.21Å; L402-D405 VanDerWaalsContact O-CB 3.29Å; L402-D405 WeakPolarHBondContact O-CB 3.44Å; L402-D405 PolarHBondContact O-N 3.19Å; L402-L408 WeakPolarHBondContact O-CD1 3.35Å; L402-I415 HydrophobicContact CB-CG2 4.17Å; L402-I415 HydrophobicContact CD1-CD1 4.29Å
403	E	84.1	Confident	91.3	Very high	49 Å²	49	43.8 Å²	43.8	23%	0.229	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-64.2	-22.3	177.7	55	174.5	-166	0	0	113.8	N401 R417	N401-E403 VanDerWaalsContact C-N 3.26Å; N401-E403 PolarHBondContact O-N 2.89Å; E403-R417 WeakPolarHBondContact OE2-CD 3.35Å; E403-R417 IonicContact OE2-CZ 2.75Å; E403-R417 IonicContact OE2-NE 3.77Å; E403-R417 PolarHBondContact OE2-NE 2.97Å; E403-R417 IonicContact OE2-NH2 3.58Å
404	N	87.7	Confident	91.2	Very high	63 Å²	63	46.1 Å²	46.1	34%	0.337	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-118.5	26.6	175.6	-57.3	-64	0	0	0	111.3	N401 L402 E406	N401-N404 CarbonylContact O-C 3.54Å; N401-N404 PolarHBondContact O-N 3.07Å; N401-N404 WeakPolarHBondContact OD1-CB 3.23Å; N401-N404 PolarHBondContact OD1-ND2 3.06Å; L402-N404 PolarHBondContact O-N 3.21Å; N404-E406 PolarHBondContact O-N 3.15Å
405	D	90.8	Very high	91.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.208	C	C	.	.			trans	-69	122.2	177.8	-169.9	-79.3	0	0	0	110.3	G173 N401 L402 F407 L408 K409	G173-D405 VanDerWaalsContact CA-OD2 3.28Å; G173-D405 WeakPolarHBondContact CA-OD2 3.15Å; N401-D405 PolarHBondContact O-N 2.85Å; L402-D405 VanDerWaalsContact O-CB 3.29Å; L402-D405 WeakPolarHBondContact O-CB 3.44Å; L402-D405 PolarHBondContact O-N 3.19Å; D405-F407 VanDerWaalsContact C-N 3.3Å; D405-F407 PolarHBondContact O-N 3.2Å; D405-F407 WeakPolarHBondContact OD1-CA 3.46Å; D405-F407 VanDerWaalsContact OD1-CB 3.29Å; D405-F407 WeakPolarHBondContact OD1-CB 3.46Å; D405-F407 PolarHBondContact OD1-N 3.45Å; D405-L408 HydrophobicContact CB-CB 4.16Å; D405-L408 HydrophobicContact CB-CD1 3.96Å; D405-L408 HydrophobicContact CB-CG 4.05Å; D405-L408 PolarHBondContact O-N 3.38Å; D405-L408 PolarHBondContact OD1-N 2.77Å; D405-L408 VanDerWaalsContact OD1-N 3.08Å; D405-K409 PolarHBondContact O-N 2.92Å; D405-K409 VanDerWaalsContact O-N 3.16Å
406	E	92.8	Very high	91.1	Very high	87 Å²	87	40 Å²	40	41%	0.407	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-36.7	-176.9	-67.7	170	102.7	0	0	111.3	F90 N404 K409 E410	F90-E406 HydrophobicContact CD1-CB 3.75Å; F90-E406 HydrophobicContact CE1-CB 4.18Å; F90-E406 HydrophobicContact CG-CB 4.22Å; N404-E406 PolarHBondContact O-N 3.15Å; E406-K409 PolarHBondContact O-N 3.15Å; E406-E410 WeakPolarHBondContact O-CB 3.5Å; E406-E410 VanDerWaalsContact O-CG 3.3Å; E406-E410 WeakPolarHBondContact O-CG 3.32Å; E406-E410 PolarHBondContact O-N 3.03Å
407	F	95.6	Very high	91	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-68	-42.6	178	-61.9	-90.5	0	0	0	111.2	W76 F90 L92 V169 Q172 C176 V179 D405 K409 E410 F411	W76-F407 AromaticContact CH2-CE1 3.78Å; W76-F407 HydrophobicContact CH2-CE1 3.78Å; W76-F407 HydrophobicContact CH2-CZ 4.13Å; W76-F407 HydrophobicContact CZ2-CE1 4.34Å; W76-F407 HydrophobicContact CZ2-CZ 4.48Å; F90-F407 HydrophobicContact CB-CD1 4.45Å; F90-F407 HydrophobicContact CB-CE1 4.4Å; F90-F407 HydrophobicContact CD1-CD1 4.37Å; F90-F407 HydrophobicContact CD1-CD2 4.07Å; F90-F407 AromaticContact CD1-CE1 3.94Å; F90-F407 HydrophobicContact CD1-CE1 3.94Å; F90-F407 AromaticContact CD1-CE2 3.59Å; F90-F407 HydrophobicContact CD1-CE2 3.59Å; F90-F407 HydrophobicContact CD1-CG 4.43Å; F90-F407 AromaticContact CD1-CZ 3.51Å; F90-F407 HydrophobicContact CD1-CZ 3.51Å; F90-F407 AromaticContact CE1-CE2 3.9Å; F90-F407 HydrophobicContact CE1-CE2 3.9Å; F90-F407 AromaticContact CE1-CZ 3.95Å; F90-F407 HydrophobicContact CE1-CZ 3.95Å; F90-F407 HydrophobicContact CG-CZ 4.46Å; F90-F407 WeakPolarHBondContact O-CD1 3.25Å; L92-F407 WeakPolarHBondContact O-CD1 3.34Å; L92-F407 WeakPolarHBondContact O-CE1 3.42Å; V169-F407 HydrophobicContact CG1-CB 4.21Å; Q172-F407 HydrophobicContact CB-CB 4.04Å; Q172-F407 HydrophobicContact CB-CD1 3.64Å; Q172-F407 HydrophobicContact CB-CD2 3.38Å; Q172-F407 HydrophobicContact CB-CE1 3.87Å; Q172-F407 HydrophobicContact CB-CE2 3.61Å; Q172-F407 HydrophobicContact CB-CG 3.4Å; Q172-F407 HydrophobicContact CB-CZ 3.87Å; Q172-F407 HydrophobicContact CG-CB 4.49Å; Q172-F407 HydrophobicContact CG-CD1 3.88Å; Q172-F407 HydrophobicContact CG-CD2 4.46Å; Q172-F407 HydrophobicContact CG-CE1 4.2Å; Q172-F407 HydrophobicContact CG-CG 4.04Å; C176-F407 HydrophobicContact CB-CE2 4.04Å; C176-F407 HydrophobicContact CB-CZ 3.72Å; V179-F407 HydrophobicContact CG2-CE2 3.79Å; V179-F407 HydrophobicContact CG2-CZ 4.37Å; D405-F407 VanDerWaalsContact C-N 3.3Å; D405-F407 PolarHBondContact O-N 3.2Å; D405-F407 WeakPolarHBondContact OD1-CA 3.46Å; D405-F407 VanDerWaalsContact OD1-CB 3.29Å; D405-F407 WeakPolarHBondContact OD1-CB 3.46Å; D405-F407 PolarHBondContact OD1-N 3.45Å; F407-K409 VanDerWaalsContact C-N 3.34Å; F407-K409 PolarHBondContact O-N 2.93Å; F407-E410 PolarHBondContact O-N 3.39Å; F407-F411 WeakPolarHBondContact O-CB 3.48Å; F407-F411 VanDerWaalsContact O-CD2 3.22Å; F407-F411 WeakPolarHBondContact O-CD2 3.13Å; F407-F411 PolarHBondContact O-N 3.38Å
408	L	94.4	Very high	91.1	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-48.4	175.6	-72.2	178	0	0	0	111.3	V169 L170 L402 D405 E410 F411 G412 L413	V169-L408 HydrophobicContact CG1-CD2 3.83Å; L170-L408 HydrophobicContact CD2-CD1 3.94Å; L170-L408 HydrophobicContact CD2-CD2 3.79Å; L170-L408 HydrophobicContact CD2-CG 4.39Å; L170-L408 HydrophobicContact CG-CD2 4.22Å; L402-L408 WeakPolarHBondContact O-CD1 3.35Å; D405-L408 HydrophobicContact CB-CB 4.16Å; D405-L408 HydrophobicContact CB-CD1 3.96Å; D405-L408 HydrophobicContact CB-CG 4.05Å; D405-L408 PolarHBondContact O-N 3.38Å; D405-L408 PolarHBondContact OD1-N 2.77Å; D405-L408 VanDerWaalsContact OD1-N 3.08Å; L408-E410 PolarHBondContact O-N 3.17Å; L408-F411 PolarHBondContact O-N 2.88Å; L408-G412 PolarHBondContact O-N 3.31Å; L408-G412 VanDerWaalsContact O-N 3.12Å; L408-L413 CarbonylContact C-O 3.56Å; L408-L413 HydrophobicContact CB-CB 4.37Å; L408-L413 HydrophobicContact CD2-CB 3.92Å; L408-L413 HydrophobicContact CD2-CD1 4.14Å; L408-L413 WeakPolarHBondContact O-CA 3.38Å; L408-L413 PolarHBondContact O-N 3.49Å; L408-L413 VanDerWaalsContact O-O 3.04Å
409	K	93.4	Very high	91.4	Very high	118 Å²	118	45 Å²	45	51%	0.513	22%	0.218	S	C	.	.	H	α-helix	trans	-59.3	-48.1	179	-71.1	177.1	-179.9	176.1	0	112.1	D405 E406 F407 F411 G412	D405-K409 PolarHBondContact O-N 2.92Å; D405-K409 VanDerWaalsContact O-N 3.16Å; E406-K409 PolarHBondContact O-N 3.15Å; F407-K409 VanDerWaalsContact C-N 3.34Å; F407-K409 PolarHBondContact O-N 2.93Å; K409-F411 VanDerWaalsContact C-N 3.31Å; K409-F411 PolarHBondContact O-N 2.92Å; K409-G412 WeakPolarHBondContact O-CA 3.4Å; K409-G412 PolarHBondContact O-N 3.15Å
410	E	94.3	Very high	91.9	Very high	99 Å²	99	40.7 Å²	40.7	46%	0.463	20%	0.198	S	C	.	.	H	α-helix	trans	-63.3	-35.3	179.2	-72.3	-58.7	163.6	0	0	113	F90 E406 F407 L408 G412	F90-E410 HydrophobicContact CB-CG 3.93Å; E406-E410 WeakPolarHBondContact O-CB 3.5Å; E406-E410 VanDerWaalsContact O-CG 3.3Å; E406-E410 WeakPolarHBondContact O-CG 3.32Å; E406-E410 PolarHBondContact O-N 3.03Å; F407-E410 PolarHBondContact O-N 3.39Å; L408-E410 PolarHBondContact O-N 3.17Å; E410-G412 PolarHBondContact O-N 3.48Å
411	F	95	Very high	92.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.2	174.2	-81.4	-100.9	0	0	0	113.4	I50 V52 S91 A93 F101 K103 V169 F407 L408 K409 L413	I50-F411 WeakPolarHBondContact CD1-O 3.44Å; V52-F411 HydrophobicContact CB-CE1 4.44Å; V52-F411 HydrophobicContact CG1-CD1 3.74Å; V52-F411 HydrophobicContact CG1-CE1 3.72Å; S91-F411 VanDerWaalsContact C-CE2 3.4Å; S91-F411 WeakPolarHBondContact O-CE2 3.08Å; S91-F411 VanDerWaalsContact O-CZ 3.22Å; S91-F411 WeakPolarHBondContact O-CZ 3.48Å; A93-F411 HydrophobicContact CB-CE2 4.17Å; A93-F411 HydrophobicContact CB-CZ 3.9Å; F101-F411 HydrophobicContact CB-CE1 4.4Å; K103-F411 HydrophobicContact CB-CE1 4.42Å; V169-F411 HydrophobicContact CG1-CB 4.28Å; V169-F411 HydrophobicContact CG1-CD2 4.15Å; V169-F411 HydrophobicContact CG1-CG 4.19Å; V169-F411 HydrophobicContact CG2-CD1 3.82Å; V169-F411 HydrophobicContact CG2-CD2 4.14Å; V169-F411 HydrophobicContact CG2-CE1 3.94Å; V169-F411 HydrophobicContact CG2-CE2 4.23Å; V169-F411 HydrophobicContact CG2-CG 3.92Å; V169-F411 HydrophobicContact CG2-CZ 4.14Å; F407-F411 WeakPolarHBondContact O-CB 3.48Å; F407-F411 VanDerWaalsContact O-CD2 3.22Å; F407-F411 WeakPolarHBondContact O-CD2 3.13Å; F407-F411 PolarHBondContact O-N 3.38Å; L408-F411 PolarHBondContact O-N 2.88Å; K409-F411 VanDerWaalsContact C-N 3.31Å; K409-F411 PolarHBondContact O-N 2.92Å; F411-L413 HydrophobicContact CB-CD1 4.42Å; F411-L413 HydrophobicContact CB-CG 4.43Å
412	G	93.3	Very high	92.9	Very high	10 Å²	10	42.5 Å²	42.5	10%	0.103	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	27.4	180	0	0	0	0	0	113.9	V45 A46 L408 K409 E410	V45-G412 PolarHBondContact N-O 3.33Å; A46-G412 PolarHBondContact N-O 3.32Å; L408-G412 PolarHBondContact O-N 3.31Å; L408-G412 VanDerWaalsContact O-N 3.12Å; K409-G412 WeakPolarHBondContact O-CA 3.4Å; K409-G412 PolarHBondContact O-N 3.15Å; E410-G412 PolarHBondContact O-N 3.48Å
413	L	93.9	Very high	93.5	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.6	-179.9	-58.7	176.4	0	0	0	110.9	L42 I50 L143 V166 V169 L408 F411	L42-L413 HydrophobicContact CD1-CB 4.5Å; L42-L413 HydrophobicContact CD2-CD2 4.17Å; L42-L413 HydrophobicContact CG-CD2 4.48Å; I50-L413 HydrophobicContact CD1-CD2 3.99Å; L143-L413 HydrophobicContact CD1-CD1 4.4Å; L143-L413 HydrophobicContact CD1-CD2 4.4Å; V166-L413 HydrophobicContact CG2-CD1 4.34Å; V169-L413 HydrophobicContact CG1-CD1 4.5Å; L408-L413 CarbonylContact C-O 3.56Å; L408-L413 HydrophobicContact CB-CB 4.37Å; L408-L413 HydrophobicContact CD2-CB 3.92Å; L408-L413 HydrophobicContact CD2-CD1 4.14Å; L408-L413 WeakPolarHBondContact O-CA 3.38Å; L408-L413 PolarHBondContact O-N 3.49Å; L408-L413 VanDerWaalsContact O-O 3.04Å; F411-L413 HydrophobicContact CB-CD1 4.42Å; F411-L413 HydrophobicContact CB-CG 4.43Å
414	D	92.1	Very high	94.2	Very high	49 Å²	49	42.5 Å²	42.5	26%	0.262	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	162.1	171.8	-179.9	34	0	0	0	109.3	L42 K43 V45	L42-D414 CarbonylContact C-O 3.52Å; K43-D414 HydrophobicContact CB-CB 4.14Å; K43-D414 PolarHBondContact N-O 2.91Å; K43-D414 PolarHBondContact O-N 3.38Å; V45-D414 HydrophobicContact CG2-CB 3.59Å
415	I	92.1	Very high	94.7	Very high	3 Å²	3	40 Å²	40	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.6	-177.4	-162	169.4	0	0	0	111	V40 V227 I229 M397 L402	V40-I415 HydrophobicContact CB-CG1 4.32Å; V40-I415 HydrophobicContact CG2-CD1 3.51Å; V40-I415 HydrophobicContact CG2-CG1 3.41Å; V40-I415 VanDerWaalsContact CG2-CG1 3.41Å; V227-I415 HydrophobicContact CB-CD1 4.11Å; V227-I415 HydrophobicContact CG1-CD1 4.28Å; V227-I415 HydrophobicContact CG2-CD1 4.05Å; V227-I415 HydrophobicContact CG2-CG1 4.49Å; I229-I415 HydrophobicContact CD1-CD1 4.07Å; M397-I415 HydrophobicContact SD-CD1 4.31Å; L402-I415 HydrophobicContact CB-CG2 4.17Å; L402-I415 HydrophobicContact CD1-CD1 4.29Å
416	A	92.7	Very high	95.1	Very high	6 Å²	6	41.4 Å²	41.4	5%	0.05	21%	0.205	C	C	.	.			trans	-65.5	142.4	178	0	0	0	0	0	111.8	V40 E41 T418	V40-A416 HydrophobicContact CB-CB 4.34Å; E41-A416 HydrophobicContact CB-CB 4.09Å; E41-A416 WeakPolarHBondContact O-CB 3.33Å; E41-A416 PolarHBondContact O-N 3.14Å; A416-T418 VanDerWaalsContact C-N 3.32Å
417	R	90.1	Very high	95.3	Very high	166 Å²	166	37.7 Å²	37.7	63%	0.626	19%	0.187	S	C	*	.	S	Bend	trans	-85.9	-3.3	179.5	-61.7	179.7	177.9	157.8	8.5	113.9	M394 E403	M394-R417 VanDerWaalsContact CE-O 3.3Å; M394-R417 WeakPolarHBondContact CE-O 3.5Å; E403-R417 WeakPolarHBondContact OE2-CD 3.35Å; E403-R417 IonicContact OE2-CZ 2.75Å; E403-R417 IonicContact OE2-NE 3.77Å; E403-R417 PolarHBondContact OE2-NE 2.97Å; E403-R417 IonicContact OE2-NH2 3.58Å
418	T	93.9	Very high	95.4	Very high	103 Å²	103	41.1 Å²	41.1	63%	0.632	21%	0.21	S	C	*	.	S	Bend	trans	-126.1	145.1	-178.3	54.7	0	0	0	0	109.7	M394 A416	M394-T418 VanDerWaalsContact CE-C 3.47Å; A416-T418 VanDerWaalsContact C-N 3.32Å
419	F	96.3	Very high	95.5	Very high	25 Å²	25	43.2 Å²	43.2	11%	0.11	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-69.4	149.4	175	-74.9	-50.8	0	0	0	111.7	V36 S37 N38 F39 V40 L390 C393 M394 E421	V36-F419 HydrophobicContact CG1-CB 3.46Å; V36-F419 VanDerWaalsContact CG1-CB 3.46Å; V36-F419 HydrophobicContact CG1-CD2 4.3Å; V36-F419 HydrophobicContact CG1-CG 4.28Å; S37-F419 WeakPolarHBondContact O-CB 3.41Å; S37-F419 WeakPolarHBondContact O-CD1 3.41Å; S37-F419 WeakPolarHBondContact O-CG 3.35Å; N38-F419 HydrophobicContact CB-CE1 4.25Å; F39-F419 CarbonylContact O-C 3.53Å; F39-F419 VanDerWaalsContact O-CA 3.3Å; F39-F419 WeakPolarHBondContact O-CA 3.29Å; F39-F419 WeakPolarHBondContact O-CD1 3.48Å; V40-F419 HydrophobicContact CG1-CD1 3.74Å; V40-F419 HydrophobicContact CG1-CE1 4.06Å; L390-F419 HydrophobicContact CB-CD2 4.31Å; L390-F419 HydrophobicContact CB-CE2 3.74Å; L390-F419 HydrophobicContact CB-CZ 4.49Å; L390-F419 HydrophobicContact CD2-CD2 3.91Å; L390-F419 HydrophobicContact CD2-CE2 4.07Å; L390-F419 HydrophobicContact CG-CD2 4.25Å; L390-F419 HydrophobicContact CG-CE2 3.88Å; L390-F419 HydrophobicContact CG-CZ 4.41Å; L390-F419 VanDerWaalsContact O-CE2 3.31Å; L390-F419 WeakPolarHBondContact O-CE2 3.44Å; C393-F419 HydrophobicContact CB-CZ 3.79Å; M394-F419 HydrophobicContact CB-CE2 4.46Å; M394-F419 HydrophobicContact CE-CB 4.25Å; M394-F419 HydrophobicContact CE-CD1 3.64Å; M394-F419 HydrophobicContact CE-CD2 3.63Å; M394-F419 HydrophobicContact CE-CE1 3.76Å; M394-F419 HydrophobicContact CE-CE2 3.77Å; M394-F419 HydrophobicContact CE-CG 3.56Å; M394-F419 HydrophobicContact CE-CZ 3.81Å; M394-F419 VanDerWaalsContact CE-N 3.26Å; M394-F419 HydrophobicContact CG-CD2 4.03Å; M394-F419 HydrophobicContact CG-CE1 4.4Å; M394-F419 HydrophobicContact CG-CE2 3.34Å; M394-F419 HydrophobicContact CG-CZ 3.55Å; M394-F419 HydrophobicContact SD-CE1 4.41Å; M394-F419 HydrophobicContact SD-CE2 4.25Å; M394-F419 HydrophobicContact SD-CZ 4.1Å; F419-E421 PolarHBondContact O-N 3.05Å
420	V	97.1	Very high	95.7	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.055	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-70.4	120.6	175.4	174.4	0	0	0	0	109.1	S37 F39 E41 M226 V744	S37-V420 PolarHBondContact N-O 2.92Å; S37-V420 PolarHBondContact OG-O 2.96Å; F39-V420 HydrophobicContact CB-CB 4.3Å; F39-V420 HydrophobicContact CB-CG2 4.31Å; F39-V420 PolarHBondContact O-N 2.74Å; E41-V420 HydrophobicContact CG-CG2 3.73Å; M226-V420 HydrophobicContact SD-CG1 4.45Å; M226-V420 HydrophobicContact SD-CG2 3.97Å; V420-V744 HydrophobicContact CG1-CG1 4.24Å
421	E	97.9	Very high	95.8	Very high	92 Å²	92	37 Å²	37	43%	0.43	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.6	166.6	-59.9	-166.8	173.7	0	0	110.5	L35 V36 F419 K722	L35-E421 WeakPolarHBondContact O-CA 3.41Å; V36-E421 HydrophobicContact CG2-CG 4.46Å; F419-E421 PolarHBondContact O-N 3.05Å; E421-K722 WeakPolarHBondContact OE1-CE 3.4Å; E421-K722 IonicContact OE1-NZ 2.68Å; E421-K722 PolarHBondContact OE1-NZ 2.76Å; E421-K722 IonicContact OE2-NZ 3.67Å; E421-K722 PolarHBondContact OE2-NZ 2.84Å
422	V	97.9	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.6	-171.7	-112.5	0	0	0	0	109.9	L35 F719 I740 R743 V744	L35-V422 HydrophobicContact CB-CG2 4.05Å; L35-V422 WeakPolarHBondContact CB-O 3.28Å; L35-V422 PolarHBondContact N-O 3.49Å; L35-V422 PolarHBondContact O-N 3.44Å; V422-F719 HydrophobicContact CG2-CD1 3.95Å; V422-F719 HydrophobicContact CG2-CE1 4.08Å; V422-I740 HydrophobicContact CB-CG2 4.28Å; V422-I740 HydrophobicContact CG1-CG2 3.9Å; V422-R743 HydrophobicContact CG1-CB 3.63Å; V422-R743 HydrophobicContact CG1-CG 4.24Å; V422-V744 HydrophobicContact CG1-CB 4.4Å; V422-V744 HydrophobicContact CG1-CG1 3.83Å; V422-V744 HydrophobicContact CG1-CG2 3.87Å
423	P	98.3	Very high	95.9	Very high	45 Å²	45	37.6 Å²	37.6	29%	0.292	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.2	168.4	31.6	-32.4	0	0	0	109.1	R742 R743	P423-R742 HydrophobicContact CG-CB 4.07Å; P423-R743 HydrophobicContact CG-CG 4.36Å
424	G	98.6	Very high	96	Very high	5 Å²	5	37.4 Å²	37.4	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	173	171.5	0	0	0	0	0	111.7	I33 V739	I33-G424 PolarHBondContact N-O 3.14Å; I33-G424 WeakPolarHBondContact O-CA 3.41Å; I33-G424 PolarHBondContact O-N 2.93Å; G424-V739 WeakPolarHBondContact CA-O 3.36Å
425	R	98.6	Very high	96.1	Very high	10 Å²	10	39.1 Å²	39.1	4%	0.038	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.9	172.6	-64.8	172.8	-64.7	117.9	0.1	109.8	G27 E29 K31 T738 V739 D741 D781	G27-R425 PolarHBondContact O-NE 3.01Å; E29-R425 WeakPolarHBondContact O-CD 3.5Å; E29-R425 PolarHBondContact O-NH1 2.71Å; K31-R425 CarbonylContact O-C 3.49Å; K31-R425 VanDerWaalsContact O-CA 3.3Å; K31-R425 WeakPolarHBondContact O-CA 3.46Å; R425-T738 CarbonylContact O-C 3.54Å; R425-T738 VanDerWaalsContact O-CA 3.26Å; R425-T738 WeakPolarHBondContact O-CA 3.08Å; R425-V739 PolarHBondContact N-O 2.81Å; R425-V739 PolarHBondContact O-N 2.91Å; R425-D741 IonicContact CZ-OD2 3.29Å; R425-D741 IonicContact NH2-OD2 3.47Å; R425-D741 PolarHBondContact NH2-OD2 2.77Å; R425-D781 IonicContact CZ-OD1 2.89Å; R425-D781 IonicContact NH1-OD1 2.75Å; R425-D781 PolarHBondContact NH1-OD1 2.75Å; R425-D781 IonicContact NH2-OD1 2.83Å
426	V	98.6	Very high	96.2	Very high	31 Å²	31	45.5 Å²	45.5	19%	0.188	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.7	172.7	-172	0	0	0	0	108.1	G30 K31 I33 P735	G30-V426 CarbonylContact C-O 3.49Å; G30-V426 WeakPolarHBondContact CA-O 3.23Å; K31-V426 PolarHBondContact N-O 2.65Å; K31-V426 PolarHBondContact O-N 2.94Å; I33-V426 HydrophobicContact CB-CG2 4.32Å; I33-V426 HydrophobicContact CD1-CG2 4.38Å; I33-V426 HydrophobicContact CG2-CG2 3.9Å; V426-P735 HydrophobicContact CG1-CB 4.06Å; V426-P735 HydrophobicContact CG2-CB 4.2Å; V426-P735 HydrophobicContact CG2-CG 4.2Å
427	L	98.5	Very high	95.9	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.042	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-68.1	144.9	177.1	-63.6	-176.3	0	0	0	111	E29 G737 V739 Q784 Y788	E29-L427 HydrophobicContact CB-CD2 4.49Å; E29-L427 WeakPolarHBondContact O-CD2 3.28Å; L427-G737 PolarHBondContact N-O 3.43Å; L427-V739 HydrophobicContact CD1-CG2 3.67Å; L427-V739 HydrophobicContact CG-CG2 3.93Å; L427-Q784 HydrophobicContact CD1-CB 4.04Å; L427-Y788 HydrophobicContact CB-CD1 3.95Å; L427-Y788 HydrophobicContact CB-CE1 4.19Å; L427-Y788 HydrophobicContact CD1-CD1 4.47Å
428	P	97	Very high	95.6	Very high	74 Å²	74	45.6 Å²	45.6	48%	0.481	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-62.3	136	170.9	27.4	-33.4	0	0	0	110
429	P	97.1	Very high	95.4	Very high	47 Å²	47	50.2 Å²	50.2	31%	0.305	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-69.1	153	173.4	29.1	-32	0	0	0	110.7	P445 Y788	P429-P445 HydrophobicContact CB-CB 4.1Å; P429-P445 HydrophobicContact CB-CG 4.44Å; P429-P445 WeakPolarHBondContact CG-O 3.47Å; P429-Y788 HydrophobicContact CB-CE1 4.32Å
430	P	96.5	Very high	95	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-66.9	150	172.9	30	-35.6	0	0	0	110.9	L432 P445 L598 Y789 H792	P430-L432 HydrophobicContact CG-CD2 4.31Å; P430-P445 WeakPolarHBondContact O-CD 3.08Å; P430-L598 HydrophobicContact CB-CD2 3.68Å; P430-L598 HydrophobicContact CG-CD2 3.87Å; P430-Y789 HydrophobicContact CB-CD1 3.66Å; P430-Y789 HydrophobicContact CB-CD2 3.91Å; P430-Y789 HydrophobicContact CB-CE1 3.7Å; P430-Y789 HydrophobicContact CB-CE2 3.96Å; P430-Y789 HydrophobicContact CB-CG 3.75Å; P430-Y789 HydrophobicContact CG-CD1 4.5Å; P430-Y789 HydrophobicContact CG-CD2 4.11Å; P430-Y789 HydrophobicContact CG-CE2 4.46Å; P430-Y789 HydrophobicContact CG-CG 4.12Å; P430-H792 WeakPolarHBondContact CD-CE1 3.28Å; P430-H792 HydrophobicContact CG-CB 3.93Å; P430-H792 WeakPolarHBondContact CG-ND1 3.47Å
431	K	96.2	Very high	94.9	Very high	87 Å²	87	52.1 Å²	52.1	38%	0.378	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-77.6	139	165	-54.1	-165.4	-174.2	-153.9	0	109.7	V442 E444 L599	K431-V442 HydrophobicContact CB-CG1 3.76Å; K431-V442 HydrophobicContact CD-CG1 4.08Å; K431-V442 HydrophobicContact CG-CG1 4.43Å; K431-E444 HydrophobicContact CD-CG 4.25Å; K431-E444 WeakPolarHBondContact CD-OE1 3.26Å; K431-E444 WeakPolarHBondContact CE-OE1 3.27Å; K431-E444 HydrophobicContact CG-CG 4.11Å; K431-E444 IonicContact NZ-OE1 2.83Å; K431-E444 PolarHBondContact NZ-OE1 3.36Å; K431-L599 HydrophobicContact CB-CB 3.85Å; K431-L599 HydrophobicContact CB-CD2 3.73Å; K431-L599 HydrophobicContact CB-CG 4.45Å; K431-L599 HydrophobicContact CD-CD2 3.91Å; K431-L599 HydrophobicContact CG-CD2 4.34Å; K431-L599 WeakPolarHBondContact O-CB 3.45Å; K431-L599 PolarHBondContact O-N 3.37Å
432	L	95.9	Very high	94.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141	-177.3	-58.5	-176.5	0	0	0	110.9	P430 Y434 V442 V443 P445 W450 R597 L598 H792	P430-L432 HydrophobicContact CG-CD2 4.31Å; L432-Y434 HydrophobicContact CB-CD2 4.48Å; L432-Y434 HydrophobicContact CB-CE2 4.16Å; L432-V442 CarbonylContact O-C 3.58Å; L432-V442 VanDerWaalsContact O-CA 3.32Å; L432-V442 WeakPolarHBondContact O-CA 3.42Å; L432-V443 WeakPolarHBondContact CB-O 3.3Å; L432-V443 PolarHBondContact N-O 2.77Å; L432-V443 PolarHBondContact O-N 2.95Å; L432-P445 HydrophobicContact CD1-CG 3.72Å; L432-P445 HydrophobicContact CG-CG 3.9Å; L432-W450 HydrophobicContact CD1-CD2 3.7Å; L432-W450 VanDerWaalsContact CD1-CE2 3.42Å; L432-W450 HydrophobicContact CD1-CE3 4.08Å; L432-W450 HydrophobicContact CD1-CG 4.21Å; L432-W450 HydrophobicContact CD1-CH2 4.03Å; L432-W450 HydrophobicContact CD1-CZ2 3.62Å; L432-W450 HydrophobicContact CD1-CZ3 4.23Å; L432-R597 CarbonylContact C-O 3.52Å; L432-R597 WeakPolarHBondContact CA-O 3.25Å; L432-L598 HydrophobicContact CD2-CD2 4Å; L432-H792 HydrophobicContact CD2-CB 4.04Å
433	E	94.6	Very high	94.6	Very high	22 Å²	22	52.5 Å²	52.5	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.1	-178.4	-160.4	174.4	-165.3	0	0	110.8	S440 F458 R597	E433-S440 WeakPolarHBondContact CG-OG 3.26Å; E433-S440 WeakPolarHBondContact OE1-CB 3.4Å; E433-S440 PolarHBondContact OE1-OG 2.92Å; E433-F458 HydrophobicContact CB-CD2 4.34Å; E433-F458 HydrophobicContact CB-CE2 4.48Å; E433-F458 HydrophobicContact CG-CD2 4.06Å; E433-F458 HydrophobicContact CG-CE2 3.96Å; E433-R597 HydrophobicContact CB-CB 4.35Å; E433-R597 HydrophobicContact CB-CG 4.41Å; E433-R597 PolarHBondContact N-O 3.29Å; E433-R597 PolarHBondContact O-N 3.46Å; E433-R597 VanDerWaalsContact O-N 3.16Å; E433-R597 IonicContact OE2-CZ 2.67Å; E433-R597 IonicContact OE2-NE 3.59Å; E433-R597 PolarHBondContact OE2-NE 3.17Å; E433-R597 IonicContact OE2-NH2 4Å; E433-R597 PolarHBondContact OE2-NH2 3.06Å
434	Y	95.8	Very high	94.4	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	172.9	176.6	-78.2	-86	0	0	0	110.2	L432 A441 V443 W450 M452 V455 Q456 N595 T596	L432-Y434 HydrophobicContact CB-CD2 4.48Å; L432-Y434 HydrophobicContact CB-CE2 4.16Å; Y434-A441 PolarHBondContact N-O 2.85Å; Y434-A441 PolarHBondContact O-N 3.31Å; Y434-V443 HydrophobicContact CD2-CB 4.08Å; Y434-V443 HydrophobicContact CD2-CG2 3.71Å; Y434-V443 HydrophobicContact CE2-CB 4.29Å; Y434-V443 HydrophobicContact CE2-CG2 4.25Å; Y434-W450 AromaticContact CE2-NE1 3.81Å; Y434-W450 AromaticContact CZ-NE1 3.7Å; Y434-W450 PolarHBondContact OH-NE1 2.92Å; Y434-M452 HydrophobicContact CD1-CG 4.33Å; Y434-M452 HydrophobicContact CD1-SD 4.26Å; Y434-M452 HydrophobicContact CE1-CG 3.66Å; Y434-M452 HydrophobicContact CE1-SD 3.42Å; Y434-M452 WeakPolarHBondContact CE1-SD 3.42Å; Y434-V455 HydrophobicContact CD1-CG2 4.26Å; Y434-V455 HydrophobicContact CG-CB 4.47Å; Y434-V455 HydrophobicContact CG-CG2 4.12Å; Y434-Q456 WeakPolarHBondContact CD1-O 3.12Å; Y434-N595 WeakPolarHBondContact CD1-O 3.47Å; Y434-N595 WeakPolarHBondContact CE1-O 2.86Å; Y434-T596 WeakPolarHBondContact CE2-OG1 3.02Å
435	K	95.3	Very high	94.2	Very high	86 Å²	86	56.2 Å²	56.2	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141.9	176.2	-178.2	177.8	176.3	-178.7	0	110.7	G437 V455 Q456 F457	K435-G437 WeakPolarHBondContact CE-O 3.3Å; K435-G437 WeakPolarHBondContact CG-O 3.47Å; K435-V455 CarbonylContact O-C 3.23Å; K435-V455 WeakPolarHBondContact O-CA 3.36Å; K435-Q456 HydrophobicContact CB-CB 4.2Å; K435-Q456 PolarHBondContact N-O 3.13Å; K435-Q456 PolarHBondContact O-N 2.84Å; K435-F457 WeakPolarHBondContact CB-O 3.07Å
436	R	92.5	Very high	94	Very high	137 Å²	137	59.4 Å²	59.4	52%	0.517	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	100.6	167.7	-178.7	179.7	-74.6	173.5	-1.9	109.1	S438 R439 A441 D454	R436-S438 PolarHBondContact O-N 2.76Å; R436-R439 CarbonylContact C-O 3.59Å; R436-R439 PolarHBondContact N-O 2.77Å; R436-R439 PolarHBondContact O-N 3.02Å; R436-A441 HydrophobicContact CB-CB 3.8Å; R436-D454 PolarHBondContact NE-O 2.76Å
437	G	86.7	Confident	93.7	Very high	48 Å²	48	61 Å²	61	50%	0.495	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-126.6	-172.6	0	0	0	0	0	110.8	K435 R439	K435-G437 WeakPolarHBondContact CE-O 3.3Å; K435-G437 WeakPolarHBondContact CG-O 3.47Å; G437-R439 VanDerWaalsContact C-N 3.33Å
438	S	84.3	Confident	93.4	Very high	125 Å²	125	60.6 Å²	60.6	87%	0.874	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-3.4	174.4	54.2	0	0	0	0	114.1	R436	R436-S438 PolarHBondContact O-N 2.76Å
439	R	89.3	Confident	93.3	Very high	201 Å²	201	59.4 Å²	59.4	76%	0.758	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	162.7	-174.8	-61.5	-177.3	-177.8	176.4	0.8	111.9	R436 G437	R436-R439 CarbonylContact C-O 3.59Å; R436-R439 PolarHBondContact N-O 2.77Å; R436-R439 PolarHBondContact O-N 3.02Å; G437-R439 VanDerWaalsContact C-N 3.33Å
440	S	88.8	Confident	93.1	Very high	65 Å²	65	58 Å²	58	46%	0.455	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	146.6	168.6	-175.4	0	0	0	0	110.7	E433	E433-S440 WeakPolarHBondContact CG-OG 3.26Å; E433-S440 WeakPolarHBondContact OE1-CB 3.4Å; E433-S440 PolarHBondContact OE1-OG 2.92Å
441	A	93.8	Very high	92.8	Very high	9 Å²	9	62.8 Å²	62.8	7%	0.074	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.4	174.6	0	0	0	0	0	110	Y434 R436 V455	Y434-A441 PolarHBondContact N-O 2.85Å; Y434-A441 PolarHBondContact O-N 3.31Å; R436-A441 HydrophobicContact CB-CB 3.8Å; A441-V455 HydrophobicContact CB-CG1 3.64Å
442	V	94.8	Very high	92.3	Very high	75 Å²	75	59.8 Å²	59.8	46%	0.455	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.8	-179.5	-176.7	0	0	0	0	109.7	K431 L432 L599	K431-V442 HydrophobicContact CB-CG1 3.76Å; K431-V442 HydrophobicContact CD-CG1 4.08Å; K431-V442 HydrophobicContact CG-CG1 4.43Å; L432-V442 CarbonylContact O-C 3.58Å; L432-V442 VanDerWaalsContact O-CA 3.32Å; L432-V442 WeakPolarHBondContact O-CA 3.42Å; V442-L599 HydrophobicContact CG1-CD2 4.27Å; V442-L599 HydrophobicContact CG2-CD1 4.05Å; V442-L599 HydrophobicContact CG2-CD2 4.39Å
443	V	95.1	Very high	91.8	Very high	24 Å²	24	68 Å²	68	15%	0.145	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.8	176.1	178.1	0	0	0	0	108.4	L432 Y434 W450	L432-V443 WeakPolarHBondContact CB-O 3.3Å; L432-V443 PolarHBondContact N-O 2.77Å; L432-V443 PolarHBondContact O-N 2.95Å; Y434-V443 HydrophobicContact CD2-CB 4.08Å; Y434-V443 HydrophobicContact CD2-CG2 3.71Å; Y434-V443 HydrophobicContact CE2-CB 4.29Å; Y434-V443 HydrophobicContact CE2-CG2 4.25Å; V443-W450 HydrophobicContact CG1-CB 3.8Å; V443-W450 HydrophobicContact CG1-CG 4.18Å
444	E	94.2	Very high	91.5	Very high	121 Å²	121	73.5 Å²	73.5	57%	0.565	38%	0.381	S	S	*	.			trans	-104.1	116.4	178.6	-60.3	-167.3	-176.3	0	0	109.8	K431	K431-E444 HydrophobicContact CD-CG 4.25Å; K431-E444 WeakPolarHBondContact CD-OE1 3.26Å; K431-E444 WeakPolarHBondContact CE-OE1 3.27Å; K431-E444 HydrophobicContact CG-CG 4.11Å; K431-E444 IonicContact NZ-OE1 2.83Å; K431-E444 PolarHBondContact NZ-OE1 3.36Å
445	P	95.5	Very high	91.5	Very high	7 Å²	7	73.9 Å²	73.9	5%	0.045	38%	0.383	C	S	.	.			trans	-60.8	140.6	173.3	-23.2	34.9	0	0	0	111.7	P429 P430 L432 T449 W450	P429-P445 HydrophobicContact CB-CB 4.1Å; P429-P445 HydrophobicContact CB-CG 4.44Å; P429-P445 WeakPolarHBondContact CG-O 3.47Å; P430-P445 WeakPolarHBondContact O-CD 3.08Å; L432-P445 HydrophobicContact CD1-CG 3.72Å; L432-P445 HydrophobicContact CG-CG 3.9Å; P445-T449 WeakPolarHBondContact CA-O 3.4Å; P445-W450 HydrophobicContact CB-CE3 3.93Å; P445-W450 HydrophobicContact CG-CD2 4.43Å; P445-W450 HydrophobicContact CG-CE3 3.97Å; P445-W450 HydrophobicContact CG-CZ3 4.5Å
446	S	94	Very high	91.5	Very high	78 Å²	78	72.2 Å²	72.2	55%	0.545	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-120.7	124.8	169.9	-178.1	0	0	0	0	109.1	G448 T449	S446-G448 PolarHBondContact O-N 3.24Å; S446-T449 PolarHBondContact N-O 2.95Å; S446-T449 PolarHBondContact O-N 3.45Å; S446-T449 VanDerWaalsContact O-O 3.08Å; S446-T449 PolarHBondContact O-OG1 2.85Å; S446-T449 VanDerWaalsContact O-OG1 3.09Å
447	N	92.1	Very high	91.7	Very high	63 Å²	63	65.7 Å²	65.7	34%	0.337	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	46.9	-175.8	-72.8	-47.8	0	0	0	112.8	T449 V728 T758	N447-T449 PolarHBondContact O-N 3.23Å; N447-V728 HydrophobicContact CB-CG1 3.99Å; N447-T758 WeakPolarHBondContact O-CB 3.5Å; N447-T758 PolarHBondContact O-OG1 3.48Å
448	G	91.8	Very high	92.1	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.01	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	16.2	176.7	0	0	0	0	0	114.8	S446 R799 S800	S446-G448 PolarHBondContact O-N 3.24Å; G448-R799 CarbonylContact O-C 3.55Å; G448-R799 VanDerWaalsContact O-CA 3.23Å; G448-R799 WeakPolarHBondContact O-CA 3.36Å; G448-S800 WeakPolarHBondContact CA-OG 3.39Å; G448-S800 PolarHBondContact O-N 3.21Å; G448-S800 PolarHBondContact O-OG 3.25Å
449	T	94.3	Very high	92.6	Very high	49 Å²	49	65.3 Å²	65.3	30%	0.301	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-133.8	149.8	177.1	67.8	0	0	0	0	111.2	P445 S446 N447 R799	P445-T449 WeakPolarHBondContact CA-O 3.4Å; S446-T449 PolarHBondContact N-O 2.95Å; S446-T449 PolarHBondContact O-N 3.45Å; S446-T449 VanDerWaalsContact O-O 3.08Å; S446-T449 PolarHBondContact O-OG1 2.85Å; S446-T449 VanDerWaalsContact O-OG1 3.09Å; N447-T449 PolarHBondContact O-N 3.23Å; T449-R799 HydrophobicContact CG2-CB 4.45Å; T449-R799 HydrophobicContact CG2-CG 3.96Å; T449-R799 VanDerWaalsContact CG2-NE 3.35Å
450	W	94.5	Very high	92.8	Very high	16 Å²	16	57 Å²	57	6%	0.061	30%	0.301	C	S	.	.			trans	-149.5	171.9	172.7	61.9	102	0	0	0	109.9	L432 Y434 V443 P445 H792 M798 R799	L432-W450 HydrophobicContact CD1-CD2 3.7Å; L432-W450 VanDerWaalsContact CD1-CE2 3.42Å; L432-W450 HydrophobicContact CD1-CE3 4.08Å; L432-W450 HydrophobicContact CD1-CG 4.21Å; L432-W450 HydrophobicContact CD1-CH2 4.03Å; L432-W450 HydrophobicContact CD1-CZ2 3.62Å; L432-W450 HydrophobicContact CD1-CZ3 4.23Å; Y434-W450 AromaticContact CE2-NE1 3.81Å; Y434-W450 AromaticContact CZ-NE1 3.7Å; Y434-W450 PolarHBondContact OH-NE1 2.92Å; V443-W450 HydrophobicContact CG1-CB 3.8Å; V443-W450 HydrophobicContact CG1-CG 4.18Å; P445-W450 HydrophobicContact CB-CE3 3.93Å; P445-W450 HydrophobicContact CG-CD2 4.43Å; P445-W450 HydrophobicContact CG-CE3 3.97Å; P445-W450 HydrophobicContact CG-CZ3 4.5Å; W450-H792 HydrophobicContact CH2-CB 4.43Å; W450-H792 WeakPolarHBondContact CH2-O 3.3Å; W450-H792 AromaticContact CZ3-CD2 3.95Å; W450-M798 HydrophobicContact CD2-CB 4.39Å; W450-M798 HydrophobicContact CG-CB 4.44Å; W450-M798 PolarHBondContact N-O 2.94Å; W450-M798 VanDerWaalsContact N-O 3.13Å; W450-M798 VanDerWaalsContact O-CB 3.28Å; W450-M798 WeakPolarHBondContact O-CB 3.32Å; W450-R799 VanDerWaalsContact CH2-C 3.48Å
451	Q	89.3	Confident	93.1	Very high	102 Å²	102	54.1 Å²	54.1	48%	0.477	28%	0.281	S	S	.	.			trans	-129	143.9	176.5	-66	-174.9	-9.6	0	0	109.8	R453	Q451-R453 VanDerWaalsContact C-N 3.33Å; Q451-R453 HydrophobicContact CB-CG 4.19Å; Q451-R453 PolarHBondContact O-N 2.8Å; Q451-R453 VanDerWaalsContact OE1-CZ 3.24Å
452	M	86.9	Confident	93.1	Very high	25 Å²	25	60.8 Å²	60.8	12%	0.123	31%	0.308	C	S	.	.			trans	-87.7	71	172.9	-65.9	-178.1	-50.9	0	0	109.8	Y434 V455 F457 L494 T581 L585 M798	Y434-M452 HydrophobicContact CD1-CG 4.33Å; Y434-M452 HydrophobicContact CD1-SD 4.26Å; Y434-M452 HydrophobicContact CE1-CG 3.66Å; Y434-M452 HydrophobicContact CE1-SD 3.42Å; Y434-M452 WeakPolarHBondContact CE1-SD 3.42Å; M452-V455 HydrophobicContact CB-CG2 3.72Å; M452-V455 HydrophobicContact CG-CG2 4.19Å; M452-F457 HydrophobicContact CE-CE1 3.83Å; M452-F457 HydrophobicContact SD-CD1 4.08Å; M452-F457 HydrophobicContact SD-CE1 3.82Å; M452-L494 HydrophobicContact CE-CD2 4.36Å; M452-T581 HydrophobicContact CE-CG2 3.53Å; M452-L585 HydrophobicContact CE-CD2 4.03Å; M452-L585 HydrophobicContact CE-CG 4.44Å; M452-L585 HydrophobicContact SD-CD2 4.28Å; M452-M798 HydrophobicContact CB-SD 4Å; M452-M798 HydrophobicContact CE-CG 4.16Å; M452-M798 HydrophobicContact CE-SD 3.68Å; M452-M798 HydrophobicContact CG-CG 4.14Å; M452-M798 HydrophobicContact CG-SD 3.68Å; M452-M798 HydrophobicContact SD-CG 4.35Å; M452-M798 HydrophobicContact SD-SD 4.26Å
453	R	85.4	Confident	93.2	Very high	173 Å²	173	57.2 Å²	57.2	65%	0.653	29%	0.286	S	S	*	.	S	Bend	trans	-86.9	126.1	173	-63.3	-173.6	-170.8	179.3	1.8	109.8	Q451 V455	Q451-R453 VanDerWaalsContact C-N 3.33Å; Q451-R453 HydrophobicContact CB-CG 4.19Å; Q451-R453 PolarHBondContact O-N 2.8Å; Q451-R453 VanDerWaalsContact OE1-CZ 3.24Å; R453-V455 PolarHBondContact O-N 2.65Å; R453-V455 VanDerWaalsContact O-N 3.1Å
454	D	87.8	Confident	93.1	Very high	137 Å²	137	58.2 Å²	58.2	73%	0.733	30%	0.298	S	S	*	.	S	Bend	trans	53.7	33.6	175.5	-45.4	-50.8	0	0	0	113.5	R436	R436-D454 PolarHBondContact NE-O 2.76Å
455	V	94.9	Very high	93.2	Very high	9 Å²	9	54.3 Å²	54.3	6%	0.055	28%	0.281	C	S	.	.			trans	-137.6	152.7	177	-63.1	0	0	0	0	110.3	Y434 K435 A441 M452 R453	Y434-V455 HydrophobicContact CD1-CG2 4.26Å; Y434-V455 HydrophobicContact CG-CB 4.47Å; Y434-V455 HydrophobicContact CG-CG2 4.12Å; K435-V455 CarbonylContact O-C 3.23Å; K435-V455 WeakPolarHBondContact O-CA 3.36Å; A441-V455 HydrophobicContact CB-CG1 3.64Å; M452-V455 HydrophobicContact CB-CG2 3.72Å; M452-V455 HydrophobicContact CG-CG2 4.19Å; R453-V455 PolarHBondContact O-N 2.65Å; R453-V455 VanDerWaalsContact O-N 3.1Å
456	Q	96.4	Very high	93.3	Very high	52 Å²	52	54 Å²	54	24%	0.243	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-109.6	165.2	176.9	-63.8	-175.8	-49.5	0	0	109.5	Y434 K435 F458 D493 L494	Y434-Q456 WeakPolarHBondContact CD1-O 3.12Å; K435-Q456 HydrophobicContact CB-CB 4.2Å; K435-Q456 PolarHBondContact N-O 3.13Å; K435-Q456 PolarHBondContact O-N 2.84Å; Q456-F458 PolarHBondContact O-N 3.23Å; Q456-D493 WeakPolarHBondContact CG-O 3.38Å; Q456-D493 PolarHBondContact NE2-O 2.93Å; Q456-L494 WeakPolarHBondContact CB-O 3.44Å
457	F	96.3	Very high	93.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.			trans	-53.9	140.9	171.2	-62.5	-37.8	0	0	0	110.7	K435 M452 Q459 L494 V496 A584 L585 N588 N595	K435-F457 WeakPolarHBondContact CB-O 3.07Å; M452-F457 HydrophobicContact CE-CE1 3.83Å; M452-F457 HydrophobicContact SD-CD1 4.08Å; M452-F457 HydrophobicContact SD-CE1 3.82Å; F457-Q459 PolarHBondContact O-N 3.14Å; F457-Q459 VanDerWaalsContact O-N 3.16Å; F457-L494 HydrophobicContact CD2-CB 3.91Å; F457-L494 WeakPolarHBondContact CD2-O 3.4Å; F457-L494 HydrophobicContact CE1-CB 4.46Å; F457-L494 HydrophobicContact CE1-CD1 4.19Å; F457-L494 HydrophobicContact CE2-CB 3.69Å; F457-L494 HydrophobicContact CE2-CD1 4.06Å; F457-L494 HydrophobicContact CG-CB 4.42Å; F457-L494 HydrophobicContact CZ-CB 4Å; F457-L494 HydrophobicContact CZ-CD1 3.62Å; F457-L494 HydrophobicContact CZ-CG 4.36Å; F457-L494 PolarHBondContact N-O 3.28Å; F457-V496 HydrophobicContact CD2-CG2 3.72Å; F457-V496 HydrophobicContact CE2-CG2 3.82Å; F457-A584 HydrophobicContact CE2-CB 4.32Å; F457-A584 HydrophobicContact CZ-CB 4.16Å; F457-L585 HydrophobicContact CD1-CD2 4.34Å; F457-L585 HydrophobicContact CE1-CD2 3.43Å; F457-L585 VanDerWaalsContact CE1-CD2 3.43Å; F457-L585 HydrophobicContact CE1-CG 4.2Å; F457-L585 HydrophobicContact CZ-CD2 3.99Å; F457-L585 HydrophobicContact CZ-CG 4.31Å; F457-N588 HydrophobicContact CD2-CB 3.65Å; F457-N588 VanDerWaalsContact CD2-CG 3.41Å; F457-N588 VanDerWaalsContact CD2-ND2 3.28Å; F457-N588 WeakPolarHBondContact CD2-ND2 3.32Å; F457-N588 HydrophobicContact CE2-CB 3.57Å; F457-N588 WeakPolarHBondContact CG-ND2 3.22Å; F457-N588 HydrophobicContact CZ-CB 4.38Å; F457-N595 WeakPolarHBondContact CA-O 3.34Å; F457-N595 HydrophobicContact CD1-CB 3.92Å; F457-N595 HydrophobicContact CE1-CB 4.3Å
458	F	94.7	Very high	93.9	Very high	61 Å²	61	47.3 Å²	47.3	27%	0.268	24%	0.237	S	C	.	.	S	Bend	trans	-49.7	-43.4	178.3	179.6	-95.8	0	0	0	111.6	E433 Q456 V594 N595 R597	E433-F458 HydrophobicContact CB-CD2 4.34Å; E433-F458 HydrophobicContact CB-CE2 4.48Å; E433-F458 HydrophobicContact CG-CD2 4.06Å; E433-F458 HydrophobicContact CG-CE2 3.96Å; Q456-F458 PolarHBondContact O-N 3.23Å; F458-V594 HydrophobicContact CB-CG1 4.49Å; F458-V594 HydrophobicContact CD1-CB 4.26Å; F458-V594 HydrophobicContact CD1-CG1 4.13Å; F458-V594 PolarHBondContact N-O 3.17Å; F458-N595 PolarHBondContact N-O 3.1Å; F458-R597 HydrophobicContact CD1-CB 4.45Å; F458-R597 HydrophobicContact CD2-CB 4.33Å; F458-R597 HydrophobicContact CG-CB 4.29Å
459	Q	94	Very high	94.2	Very high	103 Å²	103	47.3 Å²	47.3	48%	0.481	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-139.1	121	171.9	-174.3	179.6	-10.3	0	0	110.8	F457 N588 G593 V594	F457-Q459 PolarHBondContact O-N 3.14Å; F457-Q459 VanDerWaalsContact O-N 3.16Å; Q459-N588 PolarHBondContact O-ND2 3.26Å; Q459-G593 CarbonylContact O-C 3.59Å; Q459-G593 WeakPolarHBondContact O-CA 3.07Å; Q459-V594 HydrophobicContact CB-CB 4.01Å; Q459-V594 HydrophobicContact CB-CG2 4.39Å; Q459-V594 PolarHBondContact N-O 2.84Å; Q459-V594 PolarHBondContact O-N 2.9Å
460	G	94.7	Very high	94.3	Very high	28 Å²	28	45.1 Å²	45.1	29%	0.289	22%	0.223	S	C	.	.			trans	-79	137.3	173.9	0	0	0	0	0	113.2	G495 N588	G460-G495 WeakPolarHBondContact CA-O 3.27Å; G460-N588 WeakPolarHBondContact CA-OD1 3.49Å
461	G	94.2	Very high	94.4	Very high	4 Å²	4	44.3 Å²	44.3	4%	0.041	22%	0.22	C	C	.	.			trans	-75.9	168.9	173.7	0	0	0	0	0	112.9	V496 N497 N588 M591	G461-V496 WeakPolarHBondContact O-CG1 3.05Å; G461-N497 PolarHBondContact O-N 2.9Å; G461-N588 PolarHBondContact N-OD1 3.41Å; G461-M591 WeakPolarHBondContact CA-O 3.4Å
462	K	94.7	Very high	94.2	Very high	148 Å²	148	41.2 Å²	41.2	64%	0.643	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	106.1	-178.2	-63.6	-178.4	-179.1	-179.5	0	111.3	M591	K462-M591 WeakPolarHBondContact O-CE 3.21Å
463	C	95.7	Very high	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	42.6	-176	-162.8	0	0	0	0	112.7	N465 N497 M498 G499 L534 M591	C463-N465 PolarHBondContact O-N 2.62Å; C463-N497 CarbonylContact C-O 3.51Å; C463-N497 WeakPolarHBondContact CA-O 3.1Å; C463-N497 PolarHBondContact N-O 3.32Å; C463-M498 HydrophobicContact CB-CB 4.41Å; C463-M498 HydrophobicContact CB-CG 4.25Å; C463-M498 WeakPolarHBondContact O-CA 3.39Å; C463-G499 PolarHBondContact O-N 2.85Å; C463-G499 VanDerWaalsContact O-N 3.15Å; C463-L534 VanDerWaalsContact SG-CB 3.51Å; C463-M591 HydrophobicContact CB-CE 4.25Å; C463-M591 HydrophobicContact CB-CG 3.95Å; C463-M591 HydrophobicContact CB-SD 4.44Å
464	A	93.4	Very high	93.7	Very high	46 Å²	46	45.3 Å²	45.3	38%	0.38	24%	0.241	S	C	.	.	S	Bend	trans	-55.8	-34.9	-177.1	0	0	0	0	0	113.3	N497 G499	A464-N497 PolarHBondContact N-O 2.68Å; A464-G499 VanDerWaalsContact O-CA 3.26Å; A464-G499 WeakPolarHBondContact O-CA 3.35Å; A464-G499 PolarHBondContact O-N 3.2Å
465	N	96.9	Very high	93.4	Very high	39 Å²	39	43.8 Å²	43.8	21%	0.209	24%	0.24	C	C	.	.	S	Bend	trans	-117.5	119.2	178.9	-64.2	109	0	0	0	110.8	C463 D503 Y525 R533	C463-N465 PolarHBondContact O-N 2.62Å; N465-D503 WeakPolarHBondContact CA-OD2 3.45Å; N465-D503 WeakPolarHBondContact CB-OD2 3.27Å; N465-D503 PolarHBondContact ND2-OD2 2.78Å; N465-Y525 HydrophobicContact CB-CE1 3.84Å; N465-R533 WeakPolarHBondContact O-CB 3.28Å; N465-R533 PolarHBondContact O-N 2.96Å
466	F	98.3	Very high	92.7	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159.5	175.7	80.6	-79.9	0	0	0	110	C484 A488 M498 G499 K501 A502 D503 Y525 L534 L536	F466-C484 HydrophobicContact CE2-CB 3.81Å; F466-C484 HydrophobicContact CZ-CB 4.06Å; F466-A488 HydrophobicContact CE1-CB 4.29Å; F466-A488 HydrophobicContact CZ-CB 4.15Å; F466-M498 HydrophobicContact CB-CE 4.49Å; F466-M498 HydrophobicContact CD1-CE 3.72Å; F466-M498 HydrophobicContact CD1-CG 4.17Å; F466-M498 HydrophobicContact CD2-CE 3.77Å; F466-M498 HydrophobicContact CE1-CE 3.76Å; F466-M498 HydrophobicContact CE1-CG 4.21Å; F466-M498 HydrophobicContact CE2-CE 3.8Å; F466-M498 HydrophobicContact CG-CE 3.72Å; F466-M498 HydrophobicContact CZ-CE 3.78Å; F466-G499 VanDerWaalsContact CE1-O 3.29Å; F466-G499 WeakPolarHBondContact CE1-O 3.45Å; F466-K501 VanDerWaalsContact CE1-C 3.46Å; F466-K501 WeakPolarHBondContact CE1-O 3.42Å; F466-K501 VanDerWaalsContact CZ-C 3.43Å; F466-A502 HydrophobicContact CD2-CB 4.4Å; F466-A502 HydrophobicContact CE2-CB 3.93Å; F466-A502 HydrophobicContact CZ-CB 4.29Å; F466-A502 CarbonylContact O-C 3.59Å; F466-A502 WeakPolarHBondContact O-CA 3.46Å; F466-D503 PolarHBondContact O-N 3.47Å; F466-Y525 VanDerWaalsContact C-OH 3.29Å; F466-Y525 PolarHBondContact O-OH 3.18Å; F466-L534 VanDerWaalsContact CA-O 3.23Å; F466-L534 WeakPolarHBondContact CA-O 3.46Å; F466-L534 HydrophobicContact CB-CB 4Å; F466-L534 VanDerWaalsContact CB-O 3.28Å; F466-L534 WeakPolarHBondContact CB-O 3.38Å; F466-L536 HydrophobicContact CD2-CD1 4.22Å; F466-L536 HydrophobicContact CD2-CG 4.25Å; F466-L536 HydrophobicContact CE2-CD1 3.9Å; F466-L536 HydrophobicContact CE2-CG 4.41Å
467	S	98.7	Very high	92.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	175.1	179	-77.6	0	0	0	0	110.6	M504 Y525 L534 V535 L536	S467-M504 WeakPolarHBondContact CB-O 3.31Å; S467-M504 PolarHBondContact OG-N 3.02Å; S467-M504 VanDerWaalsContact OG-N 3.11Å; S467-Y525 WeakPolarHBondContact OG-CE2 3.38Å; S467-Y525 PolarHBondContact OG-OH 2.87Å; S467-L534 PolarHBondContact N-O 3.04Å; S467-V535 CarbonylContact O-C 3.58Å; S467-V535 VanDerWaalsContact O-CA 3.31Å; S467-V535 WeakPolarHBondContact O-CA 3.14Å; S467-L536 PolarHBondContact O-N 3.24Å
468	A	98.5	Very high	92.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.1	174.4	0	0	0	0	0	113.2	V480 C484 M504 L505 L506 L536	A468-V480 HydrophobicContact CB-CG1 3.84Å; A468-C484 VanDerWaalsContact CB-SG 3.59Å; A468-M504 PolarHBondContact N-O 3.38Å; A468-L505 HydrophobicContact CB-CD2 3.7Å; A468-L506 PolarHBondContact O-N 2.8Å; A468-L536 CarbonylContact C-O 3.44Å; A468-L536 WeakPolarHBondContact CA-O 3.49Å; A468-L536 HydrophobicContact CB-CB 4.17Å; A468-L536 WeakPolarHBondContact CB-O 3.36Å
469	I	98	Very high	92.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.3	172.2	-62.5	174.5	0	0	0	108	L506 V508 F514 V517 L518 L521 V535 L536 V537 S538	I469-L506 CarbonylContact C-O 3.58Å; I469-L506 VanDerWaalsContact CA-O 3.25Å; I469-L506 WeakPolarHBondContact CA-O 3.34Å; I469-L506 HydrophobicContact CG1-CB 4.37Å; I469-V508 HydrophobicContact CG2-CB 4Å; I469-V508 HydrophobicContact CG2-CG1 3.52Å; I469-F514 HydrophobicContact CB-CE2 4.43Å; I469-F514 HydrophobicContact CD1-CE2 3.87Å; I469-F514 HydrophobicContact CD1-CZ 4.37Å; I469-F514 HydrophobicContact CG2-CD2 4.2Å; I469-F514 HydrophobicContact CG2-CE2 4.02Å; I469-V517 HydrophobicContact CD1-CG1 4Å; I469-V517 HydrophobicContact CG1-CG1 4.21Å; I469-V517 HydrophobicContact CG2-CG1 4.25Å; I469-L518 HydrophobicContact CD1-CD1 3.96Å; I469-L521 HydrophobicContact CD1-CD1 4.2Å; I469-L521 HydrophobicContact CG1-CD1 4.23Å; I469-V535 HydrophobicContact CB-CG1 4.28Å; I469-V535 HydrophobicContact CD1-CG1 3.91Å; I469-V535 HydrophobicContact CG1-CG1 3.82Å; I469-L536 PolarHBondContact N-O 3.32Å; I469-V537 CarbonylContact O-C 3.48Å; I469-V537 VanDerWaalsContact O-CA 3.28Å; I469-V537 WeakPolarHBondContact O-CA 2.98Å; I469-S538 PolarHBondContact O-N 3.31Å
470	A	97.4	Very high	92.5	Very high	3 Å²	3	42 Å²	42	3%	0.025	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121	-179.9	0	0	0	0	0	111.7	L477 V480 L506 V508	A470-L477 HydrophobicContact CB-CD2 3.83Å; A470-V480 HydrophobicContact CB-CG2 3.97Å; A470-L506 PolarHBondContact N-O 3.19Å; A470-V508 PolarHBondContact O-N 3.17Å
471	F	95.8	Very high	92.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	144.8	164.2	-72.3	-91.4	0	0	0	110.2	V508 V511 F514 V537 S538 L539 E544 V548	F471-V508 HydrophobicContact CB-CG1 4.28Å; F471-V508 HydrophobicContact CD1-CG1 3.52Å; F471-V508 HydrophobicContact CD2-CG1 3.73Å; F471-V508 HydrophobicContact CE1-CG1 3.63Å; F471-V508 HydrophobicContact CE1-CG2 4.12Å; F471-V508 HydrophobicContact CE2-CG1 3.83Å; F471-V508 HydrophobicContact CG-CG1 3.56Å; F471-V508 HydrophobicContact CZ-CG1 3.79Å; F471-V511 HydrophobicContact CE1-CG1 4.29Å; F471-F514 AromaticContact CE2-CD2 3.83Å; F471-F514 HydrophobicContact CE2-CD2 3.83Å; F471-F514 HydrophobicContact CE2-CE2 4.23Å; F471-F514 HydrophobicContact CZ-CB 4.05Å; F471-F514 AromaticContact CZ-CD2 3.61Å; F471-F514 HydrophobicContact CZ-CD2 3.61Å; F471-F514 HydrophobicContact CZ-CE2 4.42Å; F471-F514 HydrophobicContact CZ-CG 4.05Å; F471-V537 HydrophobicContact CD2-CG1 4.07Å; F471-V537 HydrophobicContact CE2-CG1 3.87Å; F471-S538 WeakPolarHBondContact CD2-O 3.14Å; F471-S538 PolarHBondContact N-O 2.7Å; F471-L539 HydrophobicContact CD2-CD2 3.93Å; F471-L539 HydrophobicContact CE2-CD2 4.06Å; F471-E544 WeakPolarHBondContact CB-OE1 3.21Å; F471-E544 WeakPolarHBondContact CB-OE2 3.45Å; F471-E544 HydrophobicContact CD1-CG 3.92Å; F471-E544 HydrophobicContact CD2-CB 4.42Å; F471-E544 HydrophobicContact CE1-CB 4.37Å; F471-E544 HydrophobicContact CE1-CG 4.08Å; F471-E544 HydrophobicContact CE2-CB 4.27Å; F471-E544 VanDerWaalsContact CG-CD 3.44Å; F471-E544 HydrophobicContact CG-CG 4.17Å; F471-E544 WeakPolarHBondContact CG-OE2 3.43Å; F471-E544 HydrophobicContact CZ-CB 4.25Å; F471-E544 HydrophobicContact CZ-CG 4.45Å; F471-V548 HydrophobicContact CE2-CG2 3.56Å; F471-V548 HydrophobicContact CZ-CG2 3.92Å
472	G	85	Confident	92.8	Very high	36 Å²	36	45.4 Å²	45.4	37%	0.371	26%	0.261	S	S	.	.	S	Bend	trans	102.6	-151	177.7	0	0	0	0	0	113.2
473	R	82.8	Confident	92.9	Very high	198 Å²	198	38.4 Å²	38.4	75%	0.747	23%	0.23	S	C	*	.			trans	-71.8	134.3	-170.8	-63.6	-178.3	-175.9	176.2	0.4	111.3	S475 S476	R473-S475 PolarHBondContact O-N 2.49Å; R473-S475 VanDerWaalsContact O-N 3.09Å; R473-S476 WeakPolarHBondContact O-CB 3.05Å; R473-S476 PolarHBondContact O-N 3.05Å; R473-S476 PolarHBondContact O-OG 2.72Å
474	P	80.1	Confident	93	Very high	87 Å²	87	38.4 Å²	38.4	57%	0.565	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-54.7	-28.5	174.9	-28.2	35.4	0	0	0	114.2	S476 L477 P507	P474-S476 PolarHBondContact O-N 3.17Å; P474-S476 VanDerWaalsContact O-N 3.12Å; P474-L477 VanDerWaalsContact O-CB 3.29Å; P474-L477 WeakPolarHBondContact O-CB 3.44Å; P474-L477 VanDerWaalsContact O-CG 3.25Å; P474-L477 WeakPolarHBondContact O-CG 3.34Å; P474-L477 PolarHBondContact O-N 2.73Å; P474-P507 HydrophobicContact CG-CB 4.46Å
475	S	80	Confident	93.3	Very high	104 Å²	104	39.2 Å²	39.2	73%	0.727	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-60.5	-20.3	175.9	61.2	0	0	0	0	114.1	R473 L477	R473-S475 PolarHBondContact O-N 2.49Å; R473-S475 VanDerWaalsContact O-N 3.09Å; S475-L477 VanDerWaalsContact C-N 3.29Å; S475-L477 PolarHBondContact O-N 3.44Å
476	S	80.5	Confident	93.3	Very high	16 Å²	16	39.7 Å²	39.7	11%	0.112	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-76.6	-12.3	176.1	67.8	0	0	0	0	113.8	R473 P474 G478 Q479 V480	R473-S476 WeakPolarHBondContact O-CB 3.05Å; R473-S476 PolarHBondContact O-N 3.05Å; R473-S476 PolarHBondContact O-OG 2.72Å; P474-S476 PolarHBondContact O-N 3.17Å; P474-S476 VanDerWaalsContact O-N 3.12Å; S476-G478 VanDerWaalsContact C-N 3.28Å; S476-G478 PolarHBondContact O-N 3.5Å; S476-Q479 PolarHBondContact O-N 3.35Å; S476-Q479 VanDerWaalsContact O-N 3.17Å; S476-V480 WeakPolarHBondContact O-CG2 3.43Å; S476-V480 PolarHBondContact O-N 2.9Å
477	L	91.6	Very high	93.3	Very high	32 Å²	32	39.6 Å²	39.6	17%	0.168	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-34.5	-175.6	-72.4	172.1	0	0	0	113.2	A470 P474 S475 V480 G481 L505 P507	A470-L477 HydrophobicContact CB-CD2 3.83Å; P474-L477 VanDerWaalsContact O-CB 3.29Å; P474-L477 WeakPolarHBondContact O-CB 3.44Å; P474-L477 VanDerWaalsContact O-CG 3.25Å; P474-L477 WeakPolarHBondContact O-CG 3.34Å; P474-L477 PolarHBondContact O-N 2.73Å; S475-L477 VanDerWaalsContact C-N 3.29Å; S475-L477 PolarHBondContact O-N 3.44Å; L477-V480 PolarHBondContact O-N 3.49Å; L477-G481 PolarHBondContact O-N 2.88Å; L477-L505 HydrophobicContact CD2-CB 4.44Å; L477-P507 HydrophobicContact CD1-CB 4.04Å; L477-P507 HydrophobicContact CD1-CG 4.01Å; L477-P507 HydrophobicContact CD2-CB 4.49Å
478	G	93.6	Very high	93.3	Very high	55 Å²	55	39.6 Å²	39.6	57%	0.567	23%	0.233	S	C	*	.	H	α-helix	trans	-59.7	-47.7	175.7	0	0	0	0	0	112.1	S476 V480 G481 E482	S476-G478 VanDerWaalsContact C-N 3.28Å; S476-G478 PolarHBondContact O-N 3.5Å; G478-V480 VanDerWaalsContact C-N 3.32Å; G478-V480 PolarHBondContact O-N 3.13Å; G478-G481 PolarHBondContact O-N 3.13Å; G478-G481 VanDerWaalsContact O-N 3.16Å; G478-E482 PolarHBondContact O-N 3.38Å
479	Q	94.7	Very high	93.2	Very high	85 Å²	85	46.1 Å²	46.1	40%	0.397	26%	0.261	S	S	.	.	H	α-helix	trans	-67.1	-33.3	176.5	-63.6	-176.8	-37.9	0	0	112.3	S476 G481 E482 F483 L568	S476-Q479 PolarHBondContact O-N 3.35Å; S476-Q479 VanDerWaalsContact O-N 3.17Å; Q479-G481 VanDerWaalsContact C-N 3.33Å; Q479-E482 PolarHBondContact O-N 2.88Å; Q479-F483 WeakPolarHBondContact O-CB 3.44Å; Q479-F483 PolarHBondContact O-N 3.32Å; Q479-L568 HydrophobicContact CB-CD1 4.37Å; Q479-L568 HydrophobicContact CB-CD2 4.01Å
480	V	97	Very high	93.2	Very high	1 Å²	1	47 Å²	47	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-39.8	172.9	174.8	0	0	0	0	110.7	A468 A470 S476 L477 G478 F483 C484 L505 F563 L568	A468-V480 HydrophobicContact CB-CG1 3.84Å; A470-V480 HydrophobicContact CB-CG2 3.97Å; S476-V480 WeakPolarHBondContact O-CG2 3.43Å; S476-V480 PolarHBondContact O-N 2.9Å; L477-V480 PolarHBondContact O-N 3.49Å; G478-V480 VanDerWaalsContact C-N 3.32Å; G478-V480 PolarHBondContact O-N 3.13Å; V480-F483 WeakPolarHBondContact O-CB 3.4Å; V480-F483 PolarHBondContact O-N 3.28Å; V480-C484 PolarHBondContact O-N 2.79Å; V480-C484 PolarHBondContact O-SG 3.32Å; V480-L505 HydrophobicContact CG1-CD2 4.36Å; V480-F563 HydrophobicContact CG1-CZ 4.49Å; V480-L568 HydrophobicContact CG2-CD1 3.63Å
481	G	97.7	Very high	93.2	Very high	14 Å²	14	46.9 Å²	46.9	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-49.8	173.5	0	0	0	0	0	112.6	L477 G478 Q479 F483 C484 T485	L477-G481 PolarHBondContact O-N 2.88Å; G478-G481 PolarHBondContact O-N 3.13Å; G478-G481 VanDerWaalsContact O-N 3.16Å; Q479-G481 VanDerWaalsContact C-N 3.33Å; G481-F483 VanDerWaalsContact C-N 3.34Å; G481-F483 PolarHBondContact O-N 3.03Å; G481-C484 WeakPolarHBondContact O-CB 3.43Å; G481-C484 PolarHBondContact O-N 3.22Å; G481-T485 PolarHBondContact O-N 3.42Å; G481-T485 PolarHBondContact O-OG1 3.1Å
482	E	97.4	Very high	93.3	Very high	89 Å²	89	49.9 Å²	49.9	42%	0.416	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-42.7	175.7	-171	-177.8	166.6	0	0	111.7	G478 Q479 C484 T485 N486 V572	G478-E482 PolarHBondContact O-N 3.38Å; Q479-E482 PolarHBondContact O-N 2.88Å; E482-C484 VanDerWaalsContact C-N 3.32Å; E482-C484 PolarHBondContact O-N 3.09Å; E482-T485 PolarHBondContact O-N 2.87Å; E482-N486 PolarHBondContact O-N 2.9Å; E482-V572 HydrophobicContact CB-CG2 4.48Å; E482-V572 HydrophobicContact CG-CG1 4.28Å; E482-V572 WeakPolarHBondContact OE2-CG1 3.45Å
483	F	97.9	Very high	93.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.7	-47	173.5	175.2	-93.1	0	0	0	111.7	Q479 V480 G481 T485 N486 V487 L536 F563 V567 L568 V571 V572 L583	Q479-F483 WeakPolarHBondContact O-CB 3.44Å; Q479-F483 PolarHBondContact O-N 3.32Å; V480-F483 WeakPolarHBondContact O-CB 3.4Å; V480-F483 PolarHBondContact O-N 3.28Å; G481-F483 VanDerWaalsContact C-N 3.34Å; G481-F483 PolarHBondContact O-N 3.03Å; F483-T485 VanDerWaalsContact C-N 3.35Å; F483-T485 PolarHBondContact O-N 3.09Å; F483-N486 PolarHBondContact O-N 3.42Å; F483-V487 HydrophobicContact CD1-CG2 4.2Å; F483-V487 HydrophobicContact CD2-CG2 4.33Å; F483-V487 HydrophobicContact CE1-CG2 3.84Å; F483-V487 HydrophobicContact CE2-CG2 3.99Å; F483-V487 HydrophobicContact CG-CG2 4.44Å; F483-V487 HydrophobicContact CZ-CG2 3.74Å; F483-V487 WeakPolarHBondContact O-CB 3.47Å; F483-V487 VanDerWaalsContact O-CG2 3.3Å; F483-V487 WeakPolarHBondContact O-CG2 3.46Å; F483-V487 PolarHBondContact O-N 3.19Å; F483-L536 HydrophobicContact CE1-CD1 4.36Å; F483-F563 HydrophobicContact CD1-CE1 4.02Å; F483-F563 AromaticContact CD1-CE2 3.96Å; F483-F563 HydrophobicContact CD1-CE2 3.96Å; F483-F563 AromaticContact CD1-CZ 3.65Å; F483-F563 HydrophobicContact CD1-CZ 3.65Å; F483-F563 AromaticContact CE1-CD1 3.68Å; F483-F563 HydrophobicContact CE1-CD1 3.68Å; F483-F563 AromaticContact CE1-CD2 3.96Å; F483-F563 HydrophobicContact CE1-CD2 3.96Å; F483-F563 AromaticContact CE1-CE1 3.5Å; F483-F563 HydrophobicContact CE1-CE1 3.5Å; F483-F563 VanDerWaalsContact CE1-CE1 3.5Å; F483-F563 AromaticContact CE1-CE2 3.78Å; F483-F563 HydrophobicContact CE1-CE2 3.78Å; F483-F563 AromaticContact CE1-CG 3.91Å; F483-F563 HydrophobicContact CE1-CG 3.91Å; F483-F563 AromaticContact CE1-CZ 3.53Å; F483-F563 HydrophobicContact CE1-CZ 3.53Å; F483-F563 HydrophobicContact CE2-CD2 4.3Å; F483-F563 HydrophobicContact CE2-CE2 4.47Å; F483-F563 HydrophobicContact CG-CE2 4.38Å; F483-F563 HydrophobicContact CG-CZ 4.44Å; F483-F563 HydrophobicContact CZ-CB 4.38Å; F483-F563 AromaticContact CZ-CD1 4Å; F483-F563 HydrophobicContact CZ-CD1 4Å; F483-F563 AromaticContact CZ-CD2 3.8Å; F483-F563 HydrophobicContact CZ-CD2 3.8Å; F483-F563 HydrophobicContact CZ-CE1 4.23Å; F483-F563 HydrophobicContact CZ-CE2 4.03Å; F483-F563 AromaticContact CZ-CG 3.78Å; F483-F563 HydrophobicContact CZ-CG 3.78Å; F483-F563 HydrophobicContact CZ-CZ 4.23Å; F483-V567 HydrophobicContact CE2-CG1 4.26Å; F483-V567 HydrophobicContact CZ-CG1 4.4Å; F483-L568 HydrophobicContact CB-CG 4.44Å; F483-L568 HydrophobicContact CD2-CB 4.33Å; F483-L568 HydrophobicContact CD2-CG 4.46Å; F483-V571 HydrophobicContact CD2-CB 3.71Å; F483-V571 HydrophobicContact CD2-CG1 3.82Å; F483-V571 HydrophobicContact CD2-CG2 4.27Å; F483-V571 HydrophobicContact CE2-CB 3.77Å; F483-V571 HydrophobicContact CE2-CG1 4.1Å; F483-V571 HydrophobicContact CE2-CG2 3.78Å; F483-V572 HydrophobicContact CB-CG2 3.64Å; F483-V572 HydrophobicContact CD2-CG2 4.31Å; F483-L583 HydrophobicContact CE1-CD2 4.05Å; F483-L583 HydrophobicContact CE2-CD2 4.5Å; F483-L583 HydrophobicContact CZ-CD2 3.52Å
484	C	98.5	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-45.4	177	-72.2	0	0	0	0	111.9	F466 A468 V480 G481 E482 A488 A502 L536	F466-C484 HydrophobicContact CE2-CB 3.81Å; F466-C484 HydrophobicContact CZ-CB 4.06Å; A468-C484 VanDerWaalsContact CB-SG 3.59Å; V480-C484 PolarHBondContact O-N 2.79Å; V480-C484 PolarHBondContact O-SG 3.32Å; G481-C484 WeakPolarHBondContact O-CB 3.43Å; G481-C484 PolarHBondContact O-N 3.22Å; E482-C484 VanDerWaalsContact C-N 3.32Å; E482-C484 PolarHBondContact O-N 3.09Å; C484-A488 WeakPolarHBondContact O-CB 3.3Å; C484-A488 PolarHBondContact O-N 3.28Å; C484-A502 HydrophobicContact CB-CB 4.19Å; C484-L536 HydrophobicContact CB-CD1 4.43Å
485	T	98.3	Very high	95.1	Very high	63 Å²	63	41.3 Å²	41.3	39%	0.387	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-43.4	177.4	-66.8	0	0	0	0	112.1	G481 E482 F483 A488 K489	G481-T485 PolarHBondContact O-N 3.42Å; G481-T485 PolarHBondContact O-OG1 3.1Å; E482-T485 PolarHBondContact O-N 2.87Å; F483-T485 VanDerWaalsContact C-N 3.35Å; F483-T485 PolarHBondContact O-N 3.09Å; T485-A488 PolarHBondContact O-N 3.1Å; T485-K489 WeakPolarHBondContact O-CB 3.47Å; T485-K489 PolarHBondContact O-N 2.59Å
486	N	98	Very high	96	Very high	49 Å²	49	36.5 Å²	36.5	26%	0.262	21%	0.212	S	C	.	.	H	α-helix	trans	-65.6	-43.2	179.2	-70.5	-12.8	0	0	0	112	E482 F483 V490 V571	E482-N486 PolarHBondContact O-N 2.9Å; F483-N486 PolarHBondContact O-N 3.42Å; N486-V490 WeakPolarHBondContact O-CG2 3.36Å; N486-V490 PolarHBondContact O-N 3.35Å; N486-V571 HydrophobicContact CB-CG1 3.87Å
487	V	98	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-42.5	176.3	172.8	0	0	0	0	111.1	F483 K489 V490 C491 V571 L583	F483-V487 HydrophobicContact CD1-CG2 4.2Å; F483-V487 HydrophobicContact CD2-CG2 4.33Å; F483-V487 HydrophobicContact CE1-CG2 3.84Å; F483-V487 HydrophobicContact CE2-CG2 3.99Å; F483-V487 HydrophobicContact CG-CG2 4.44Å; F483-V487 HydrophobicContact CZ-CG2 3.74Å; F483-V487 WeakPolarHBondContact O-CB 3.47Å; F483-V487 VanDerWaalsContact O-CG2 3.3Å; F483-V487 WeakPolarHBondContact O-CG2 3.46Å; F483-V487 PolarHBondContact O-N 3.19Å; V487-K489 PolarHBondContact O-N 3.37Å; V487-V490 PolarHBondContact O-N 2.77Å; V487-C491 WeakPolarHBondContact O-CB 3.5Å; V487-C491 PolarHBondContact O-N 3Å; V487-C491 PolarHBondContact O-SG 3.34Å; V487-C491 VanDerWaalsContact O-SG 3.4Å; V487-V571 HydrophobicContact CG2-CG1 4.35Å; V487-L583 HydrophobicContact CG1-CD2 3.92Å; V487-L583 HydrophobicContact CG1-CG 4.44Å; V487-L583 HydrophobicContact CG2-CD2 3.76Å
488	A	98.3	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-46.9	176.6	0	0	0	0	0	111.8	F466 C484 T485 V490 C491 T492 M498 G499	F466-A488 HydrophobicContact CE1-CB 4.29Å; F466-A488 HydrophobicContact CZ-CB 4.15Å; C484-A488 WeakPolarHBondContact O-CB 3.3Å; C484-A488 PolarHBondContact O-N 3.28Å; T485-A488 PolarHBondContact O-N 3.1Å; A488-V490 PolarHBondContact O-N 3.06Å; A488-C491 WeakPolarHBondContact O-CB 3.37Å; A488-C491 PolarHBondContact O-N 2.7Å; A488-T492 PolarHBondContact O-N 2.77Å; A488-T492 PolarHBondContact O-OG1 3.3Å; A488-T492 VanDerWaalsContact O-OG1 3.11Å; A488-M498 HydrophobicContact CB-CE 4.45Å; A488-M498 HydrophobicContact CB-CG 4.24Å; A488-M498 HydrophobicContact CB-SD 4.38Å; A488-G499 WeakPolarHBondContact CB-O 3.3Å
489	K	97.6	Very high	97.1	Very high	136 Å²	136	37.6 Å²	37.6	59%	0.591	21%	0.208	S	C	*	.	H	α-helix	trans	-54.8	-51.7	175.4	179.4	173.7	179.5	170.1	0	111.5	T485 V487 C491 T492 D493	T485-K489 WeakPolarHBondContact O-CB 3.47Å; T485-K489 PolarHBondContact O-N 2.59Å; V487-K489 PolarHBondContact O-N 3.37Å; K489-C491 VanDerWaalsContact C-N 3.33Å; K489-C491 PolarHBondContact O-N 2.83Å; K489-T492 WeakPolarHBondContact O-CB 3.12Å; K489-T492 PolarHBondContact O-N 2.94Å; K489-T492 VanDerWaalsContact O-N 3.12Å; K489-D493 PolarHBondContact O-N 3.06Å
490	V	96.8	Very high	97.2	Very high	19 Å²	19	44.3 Å²	44.3	12%	0.115	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-39.8	178.9	173.4	0	0	0	0	112	N486 V487 A488 D493 L494 A580 A584	N486-V490 WeakPolarHBondContact O-CG2 3.36Å; N486-V490 PolarHBondContact O-N 3.35Å; V487-V490 PolarHBondContact O-N 2.77Å; A488-V490 PolarHBondContact O-N 3.06Å; V490-D493 PolarHBondContact O-N 2.97Å; V490-L494 HydrophobicContact CG1-CD1 3.83Å; V490-L494 WeakPolarHBondContact O-CB 3.13Å; V490-L494 VanDerWaalsContact O-CG 3.26Å; V490-L494 WeakPolarHBondContact O-CG 3.45Å; V490-L494 PolarHBondContact O-N 2.86Å; V490-A580 HydrophobicContact CB-CB 4.23Å; V490-A580 HydrophobicContact CG1-CB 4.3Å; V490-A580 HydrophobicContact CG2-CB 3.86Å; V490-A584 HydrophobicContact CG1-CB 4.22Å
491	C	97.9	Very high	97.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-46.4	173.4	-78.1	0	0	0	0	111.5	V487 A488 K489 L494 G495 V496 M498 A584	V487-C491 WeakPolarHBondContact O-CB 3.5Å; V487-C491 PolarHBondContact O-N 3Å; V487-C491 PolarHBondContact O-SG 3.34Å; V487-C491 VanDerWaalsContact O-SG 3.4Å; A488-C491 WeakPolarHBondContact O-CB 3.37Å; A488-C491 PolarHBondContact O-N 2.7Å; K489-C491 VanDerWaalsContact C-N 3.33Å; K489-C491 PolarHBondContact O-N 2.83Å; C491-L494 CarbonylContact O-C 3.58Å; C491-L494 PolarHBondContact O-N 2.83Å; C491-G495 PolarHBondContact O-N 2.83Å; C491-V496 HydrophobicContact CB-CB 3.98Å; C491-V496 HydrophobicContact CB-CG1 4.48Å; C491-V496 HydrophobicContact CB-CG2 4.21Å; C491-V496 VanDerWaalsContact O-CB 3.24Å; C491-V496 WeakPolarHBondContact O-CB 3.47Å; C491-V496 WeakPolarHBondContact O-CG2 3.27Å; C491-V496 PolarHBondContact O-N 3.3Å; C491-M498 HydrophobicContact CB-CB 4.08Å; C491-M498 HydrophobicContact CB-CG 4.47Å; C491-M498 HydrophobicContact CB-SD 3.64Å; C491-M498 VanDerWaalsContact SG-SD 3.67Å; C491-A584 VanDerWaalsContact SG-CB 3.59Å
492	T	97.1	Very high	97.2	Very high	64 Å²	64	51.2 Å²	51.2	39%	0.393	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-45.6	177.6	-59	0	0	0	0	112.1	A488 K489 L494 G495 V496	A488-T492 PolarHBondContact O-N 2.77Å; A488-T492 PolarHBondContact O-OG1 3.3Å; A488-T492 VanDerWaalsContact O-OG1 3.11Å; K489-T492 WeakPolarHBondContact O-CB 3.12Å; K489-T492 PolarHBondContact O-N 2.94Å; K489-T492 VanDerWaalsContact O-N 3.12Å; T492-L494 PolarHBondContact O-N 3.38Å; T492-G495 WeakPolarHBondContact O-CA 3.36Å; T492-G495 PolarHBondContact O-N 3.03Å; T492-V496 WeakPolarHBondContact CA-O 3.31Å
493	D	95.3	Very high	97.3	Very high	96 Å²	96	50.5 Å²	50.5	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-59.5	-35.1	177.7	-64.8	-18.1	0	0	0	111	Q456 K489 V490 G495	Q456-D493 WeakPolarHBondContact CG-O 3.38Å; Q456-D493 PolarHBondContact NE2-O 2.93Å; K489-D493 PolarHBondContact O-N 3.06Å; V490-D493 PolarHBondContact O-N 2.97Å; D493-G495 VanDerWaalsContact C-N 3.28Å; D493-G495 PolarHBondContact O-N 2.8Å
494	L	96.3	Very high	97.2	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.094	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	7.6	175.6	-65.2	170.8	0	0	0	114.3	M452 Q456 F457 V490 C491 T492 T581 A584	M452-L494 HydrophobicContact CE-CD2 4.36Å; Q456-L494 WeakPolarHBondContact CB-O 3.44Å; F457-L494 HydrophobicContact CD2-CB 3.91Å; F457-L494 WeakPolarHBondContact CD2-O 3.4Å; F457-L494 HydrophobicContact CE1-CB 4.46Å; F457-L494 HydrophobicContact CE1-CD1 4.19Å; F457-L494 HydrophobicContact CE2-CB 3.69Å; F457-L494 HydrophobicContact CE2-CD1 4.06Å; F457-L494 HydrophobicContact CG-CB 4.42Å; F457-L494 HydrophobicContact CZ-CB 4Å; F457-L494 HydrophobicContact CZ-CD1 3.62Å; F457-L494 HydrophobicContact CZ-CG 4.36Å; F457-L494 PolarHBondContact N-O 3.28Å; V490-L494 HydrophobicContact CG1-CD1 3.83Å; V490-L494 WeakPolarHBondContact O-CB 3.13Å; V490-L494 VanDerWaalsContact O-CG 3.26Å; V490-L494 WeakPolarHBondContact O-CG 3.45Å; V490-L494 PolarHBondContact O-N 2.86Å; C491-L494 CarbonylContact O-C 3.58Å; C491-L494 PolarHBondContact O-N 2.83Å; T492-L494 PolarHBondContact O-N 3.38Å; L494-T581 HydrophobicContact CD1-CG2 4.05Å; L494-A584 HydrophobicContact CD1-CB 3.91Å
495	G	95.5	Very high	97.2	Very high	26 Å²	26	54.4 Å²	54.4	27%	0.268	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	6.1	171.8	0	0	0	0	0	115.8	G460 C491 T492 D493	G460-G495 WeakPolarHBondContact CA-O 3.27Å; C491-G495 PolarHBondContact O-N 2.83Å; T492-G495 WeakPolarHBondContact O-CA 3.36Å; T492-G495 PolarHBondContact O-N 3.03Å; D493-G495 VanDerWaalsContact C-N 3.28Å; D493-G495 PolarHBondContact O-N 2.8Å
496	V	97.2	Very high	97.1	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	26%	0.262	C	S	.	.			trans	-77.6	131.9	173.6	-171.9	0	0	0	0	109.5	F457 G461 C491 T492 M498 N588	F457-V496 HydrophobicContact CD2-CG2 3.72Å; F457-V496 HydrophobicContact CE2-CG2 3.82Å; G461-V496 WeakPolarHBondContact O-CG1 3.05Å; C491-V496 HydrophobicContact CB-CB 3.98Å; C491-V496 HydrophobicContact CB-CG1 4.48Å; C491-V496 HydrophobicContact CB-CG2 4.21Å; C491-V496 VanDerWaalsContact O-CB 3.24Å; C491-V496 WeakPolarHBondContact O-CB 3.47Å; C491-V496 WeakPolarHBondContact O-CG2 3.27Å; C491-V496 PolarHBondContact O-N 3.3Å; T492-V496 WeakPolarHBondContact CA-O 3.31Å; V496-M498 VanDerWaalsContact C-N 3.27Å; V496-M498 HydrophobicContact CG1-CB 4.28Å; V496-M498 PolarHBondContact O-N 2.75Å; V496-N588 HydrophobicContact CG2-CB 3.95Å; V496-N588 WeakPolarHBondContact CG2-OD1 3.35Å
497	N	95.9	Very high	97	Very high	102 Å²	102	52.3 Å²	52.3	55%	0.545	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	80.5	171.5	-177.9	-2	0	0	0	109.5	G461 C463 A464	G461-N497 PolarHBondContact O-N 2.9Å; C463-N497 CarbonylContact C-O 3.51Å; C463-N497 WeakPolarHBondContact CA-O 3.1Å; C463-N497 PolarHBondContact N-O 3.32Å; A464-N497 PolarHBondContact N-O 2.68Å
498	M	97.1	Very high	96.9	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.044	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.7	179.7	-167.4	159.4	-179.3	0	0	111.1	C463 F466 A488 C491 V496 L534 V587	C463-M498 HydrophobicContact CB-CB 4.41Å; C463-M498 HydrophobicContact CB-CG 4.25Å; C463-M498 WeakPolarHBondContact O-CA 3.39Å; F466-M498 HydrophobicContact CB-CE 4.49Å; F466-M498 HydrophobicContact CD1-CE 3.72Å; F466-M498 HydrophobicContact CD1-CG 4.17Å; F466-M498 HydrophobicContact CD2-CE 3.77Å; F466-M498 HydrophobicContact CE1-CE 3.76Å; F466-M498 HydrophobicContact CE1-CG 4.21Å; F466-M498 HydrophobicContact CE2-CE 3.8Å; F466-M498 HydrophobicContact CG-CE 3.72Å; F466-M498 HydrophobicContact CZ-CE 3.78Å; A488-M498 HydrophobicContact CB-CE 4.45Å; A488-M498 HydrophobicContact CB-CG 4.24Å; A488-M498 HydrophobicContact CB-SD 4.38Å; C491-M498 HydrophobicContact CB-CB 4.08Å; C491-M498 HydrophobicContact CB-CG 4.47Å; C491-M498 HydrophobicContact CB-SD 3.64Å; C491-M498 VanDerWaalsContact SG-SD 3.67Å; V496-M498 VanDerWaalsContact C-N 3.27Å; V496-M498 HydrophobicContact CG1-CB 4.28Å; V496-M498 PolarHBondContact O-N 2.75Å; M498-L534 HydrophobicContact CE-CD2 4.09Å; M498-V587 HydrophobicContact SD-CG1 4.4Å
499	G	97	Very high	96.5	Very high	16 Å²	16	56.8 Å²	56.8	17%	0.165	30%	0.297	C	S	.	.			trans	-59.9	152.8	172.1	0	0	0	0	0	111.7	C463 A464 F466 A488 K501	C463-G499 PolarHBondContact O-N 2.85Å; C463-G499 VanDerWaalsContact O-N 3.15Å; A464-G499 VanDerWaalsContact O-CA 3.26Å; A464-G499 WeakPolarHBondContact O-CA 3.35Å; A464-G499 PolarHBondContact O-N 3.2Å; F466-G499 VanDerWaalsContact CE1-O 3.29Å; F466-G499 WeakPolarHBondContact CE1-O 3.45Å; A488-G499 WeakPolarHBondContact CB-O 3.3Å; G499-K501 PolarHBondContact O-N 2.93Å
500	R	97.1	Very high	96.3	Very high	225 Å²	225	53.3 Å²	53.3	85%	0.849	29%	0.285	S	S	*	.	S	Bend	trans	-71.9	-27.1	-174.8	-65.1	-178	-179.2	179.8	0.3	114.2
501	K	96.9	Very high	96.2	Very high	148 Å²	148	54.7 Å²	54.7	64%	0.643	29%	0.293	S	S	*	.	S	Bend	trans	-146.8	162.5	179.4	64.3	177.1	-177.6	176.7	0	109.7	F466 G499	F466-K501 VanDerWaalsContact CE1-C 3.46Å; F466-K501 WeakPolarHBondContact CE1-O 3.42Å; F466-K501 VanDerWaalsContact CZ-C 3.43Å; G499-K501 PolarHBondContact O-N 2.93Å
502	A	97.9	Very high	96	Very high	13 Å²	13	60 Å²	60	11%	0.107	33%	0.326	C	S	.	.			trans	-64.4	134.8	172	0	0	0	0	0	109.8	F466 C484 M504 L505	F466-A502 HydrophobicContact CD2-CB 4.4Å; F466-A502 HydrophobicContact CE2-CB 3.93Å; F466-A502 HydrophobicContact CZ-CB 4.29Å; F466-A502 CarbonylContact O-C 3.59Å; F466-A502 WeakPolarHBondContact O-CA 3.46Å; C484-A502 HydrophobicContact CB-CB 4.19Å; A502-M504 VanDerWaalsContact C-N 3.3Å; A502-L505 HydrophobicContact CB-CD2 3.66Å; A502-L505 HydrophobicContact CB-CG 4.37Å
503	D	98	Very high	95.9	Very high	74 Å²	74	57.9 Å²	57.9	40%	0.396	32%	0.315	S	S	.	.	S	Bend	trans	-66.1	-39	175.6	-62.1	-40.2	0	0	0	110	N465 F466 Y525	N465-D503 WeakPolarHBondContact CA-OD2 3.45Å; N465-D503 WeakPolarHBondContact CB-OD2 3.27Å; N465-D503 PolarHBondContact ND2-OD2 2.78Å; F466-D503 PolarHBondContact O-N 3.47Å; D503-Y525 HydrophobicContact CB-CE1 4.44Å; D503-Y525 VanDerWaalsContact CB-OH 3.3Å; D503-Y525 WeakPolarHBondContact CB-OH 3.4Å; D503-Y525 VanDerWaalsContact CG-OH 3.32Å; D503-Y525 VanDerWaalsContact OD2-CE1 3.29Å; D503-Y525 WeakPolarHBondContact OD2-CE1 3.34Å; D503-Y525 VanDerWaalsContact OD2-CZ 3.27Å; D503-Y525 PolarHBondContact OD2-OH 3.19Å
504	M	97.1	Very high	96	Very high	17 Å²	17	53.3 Å²	53.3	8%	0.084	29%	0.291	C	S	.	.			trans	-133.9	145.4	177.1	-54.7	172.3	65.4	0	0	111.7	S467 A468 A502 L506 L521 E524 Y525	S467-M504 WeakPolarHBondContact CB-O 3.31Å; S467-M504 PolarHBondContact OG-N 3.02Å; S467-M504 VanDerWaalsContact OG-N 3.11Å; A468-M504 PolarHBondContact N-O 3.38Å; A502-M504 VanDerWaalsContact C-N 3.3Å; M504-L506 HydrophobicContact CE-CD1 3.85Å; M504-L506 HydrophobicContact CE-CD2 3.91Å; M504-L506 HydrophobicContact CE-CG 4.09Å; M504-L521 HydrophobicContact SD-CG 4.12Å; M504-E524 HydrophobicContact CE-CB 4.14Å; M504-E524 HydrophobicContact CE-CG 4.15Å; M504-E524 WeakPolarHBondContact CE-OE1 3.45Å; M504-E524 WeakPolarHBondContact CE-OE2 3.29Å; M504-E524 HydrophobicContact SD-CB 3.96Å; M504-E524 VanDerWaalsContact SD-CD 3.57Å; M504-E524 HydrophobicContact SD-CG 3.99Å; M504-Y525 HydrophobicContact SD-CD2 4.4Å; M504-Y525 HydrophobicContact SD-CE2 4.28Å
505	L	96.8	Very high	96.1	Very high	65 Å²	65	55.1 Å²	55.1	34%	0.34	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	108	171.3	-62.9	177.2	0	0	0	108.6	A468 L477 V480 A502	A468-L505 HydrophobicContact CB-CD2 3.7Å; L477-L505 HydrophobicContact CD2-CB 4.44Å; V480-L505 HydrophobicContact CG1-CD2 4.36Å; A502-L505 HydrophobicContact CB-CD2 3.66Å; A502-L505 HydrophobicContact CB-CG 4.37Å
506	L	96.8	Very high	96.2	Very high	14 Å²	14	61.6 Å²	61.6	7%	0.073	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.2	-175.5	-61.1	179.1	0	0	0	111.7	A468 I469 A470 M504 V517 L521	A468-L506 PolarHBondContact O-N 2.8Å; I469-L506 CarbonylContact C-O 3.58Å; I469-L506 VanDerWaalsContact CA-O 3.25Å; I469-L506 WeakPolarHBondContact CA-O 3.34Å; I469-L506 HydrophobicContact CG1-CB 4.37Å; A470-L506 PolarHBondContact N-O 3.19Å; M504-L506 HydrophobicContact CE-CD1 3.85Å; M504-L506 HydrophobicContact CE-CD2 3.91Å; M504-L506 HydrophobicContact CE-CG 4.09Å; L506-V517 HydrophobicContact CB-CG1 3.73Å; L506-V517 HydrophobicContact CD1-CG1 3.75Å; L506-V517 HydrophobicContact CG-CG1 4.41Å; L506-L521 HydrophobicContact CD1-CB 3.86Å; L506-L521 HydrophobicContact CD1-CD1 4.22Å; L506-L521 HydrophobicContact CD1-CG 4.46Å
507	P	96.1	Very high	96.2	Very high	54 Å²	54	62.7 Å²	62.7	35%	0.351	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	151.6	167.6	31.3	-30.2	0	0	0	110.5	P474 L477	P474-P507 HydrophobicContact CG-CB 4.46Å; L477-P507 HydrophobicContact CD1-CB 4.04Å; L477-P507 HydrophobicContact CD1-CG 4.01Å; L477-P507 HydrophobicContact CD2-CB 4.49Å
508	V	95.7	Very high	96.4	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.9	168	60.5	0	0	0	0	109.2	I469 A470 F471 D510 A513 F514 V517	I469-V508 HydrophobicContact CG2-CB 4Å; I469-V508 HydrophobicContact CG2-CG1 3.52Å; A470-V508 PolarHBondContact O-N 3.17Å; F471-V508 HydrophobicContact CB-CG1 4.28Å; F471-V508 HydrophobicContact CD1-CG1 3.52Å; F471-V508 HydrophobicContact CD2-CG1 3.73Å; F471-V508 HydrophobicContact CE1-CG1 3.63Å; F471-V508 HydrophobicContact CE1-CG2 4.12Å; F471-V508 HydrophobicContact CE2-CG1 3.83Å; F471-V508 HydrophobicContact CG-CG1 3.56Å; F471-V508 HydrophobicContact CZ-CG1 3.79Å; V508-D510 VanDerWaalsContact CG2-O 3.23Å; V508-D510 WeakPolarHBondContact CG2-O 3.5Å; V508-A513 HydrophobicContact CG2-CB 3.88Å; V508-F514 HydrophobicContact CG1-CD2 4.49Å; V508-F514 HydrophobicContact CG2-CB 4.18Å; V508-V517 HydrophobicContact CB-CG2 4.14Å; V508-V517 HydrophobicContact CG2-CG2 4.09Å
509	S	91.1	Very high	96.4	Very high	89 Å²	89	62.5 Å²	62.5	62%	0.622	32%	0.322	S	S	*	.			trans	-67.4	-45.7	-177.6	54	0	0	0	0	112	A513	S509-A513 WeakPolarHBondContact OG-CB 3.19Å
510	D	92.4	Very high	96.4	Very high	63 Å²	63	69.2 Å²	69.2	34%	0.337	34%	0.342	S	S	.	.	S	Bend	trans	-163.9	176.8	-170.7	61.1	74.2	0	0	0	111.2	V508 T512 A513 F514	V508-D510 VanDerWaalsContact CG2-O 3.23Å; V508-D510 WeakPolarHBondContact CG2-O 3.5Å; D510-T512 PolarHBondContact O-N 3.2Å; D510-T512 WeakPolarHBondContact OD1-CA 3.49Å; D510-T512 VanDerWaalsContact OD1-CB 3.28Å; D510-T512 WeakPolarHBondContact OD1-CB 3.13Å; D510-T512 PolarHBondContact OD1-N 3.04Å; D510-T512 PolarHBondContact OD1-OG1 2.82Å; D510-A513 PolarHBondContact O-N 2.98Å; D510-A513 PolarHBondContact OD1-N 2.97Å; D510-F514 PolarHBondContact O-N 3.09Å
511	V	94.1	Very high	96.4	Very high	48 Å²	48	58.5 Å²	58.5	29%	0.291	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.6	-176.4	-65.8	0	0	0	0	113.5	F471 F514 E544 E547	F471-V511 HydrophobicContact CE1-CG1 4.29Å; V511-F514 WeakPolarHBondContact O-CB 3.3Å; V511-F514 PolarHBondContact O-N 3.4Å; V511-E544 HydrophobicContact CG1-CB 4.13Å; V511-E544 HydrophobicContact CG1-CG 3.88Å; V511-E547 HydrophobicContact CB-CB 4.04Å; V511-E547 HydrophobicContact CB-CG 3.95Å; V511-E547 HydrophobicContact CG1-CB 4.15Å
512	T	94.1	Very high	96.4	Very high	112 Å²	112	52.8 Å²	52.8	69%	0.687	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-29.6	-178.3	74.9	0	0	0	0	112.2	D510	D510-T512 PolarHBondContact O-N 3.2Å; D510-T512 WeakPolarHBondContact OD1-CA 3.49Å; D510-T512 VanDerWaalsContact OD1-CB 3.28Å; D510-T512 WeakPolarHBondContact OD1-CB 3.13Å; D510-T512 PolarHBondContact OD1-N 3.04Å; D510-T512 PolarHBondContact OD1-OG1 2.82Å
513	A	95.9	Very high	96.3	Very high	20 Å²	20	54.5 Å²	54.5	17%	0.165	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-19.4	176.5	0	0	0	0	0	113.2	V508 S509 D510 E515 K516 V517	V508-A513 HydrophobicContact CG2-CB 3.88Å; S509-A513 WeakPolarHBondContact OG-CB 3.19Å; D510-A513 PolarHBondContact O-N 2.98Å; D510-A513 PolarHBondContact OD1-N 2.97Å; A513-E515 VanDerWaalsContact C-N 3.31Å; A513-E515 PolarHBondContact O-N 2.9Å; A513-K516 PolarHBondContact O-N 3.38Å; A513-K516 VanDerWaalsContact O-N 3.12Å; A513-V517 WeakPolarHBondContact O-CG2 3.47Å; A513-V517 PolarHBondContact O-N 3.25Å; A513-V517 VanDerWaalsContact O-N 3.09Å
514	F	97.4	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.8	-41.5	-173.1	-177.2	-100.6	0	0	0	113.6	I469 F471 V508 D510 V511 K516 V517 L518 V537 V548 V551	I469-F514 HydrophobicContact CB-CE2 4.43Å; I469-F514 HydrophobicContact CD1-CE2 3.87Å; I469-F514 HydrophobicContact CD1-CZ 4.37Å; I469-F514 HydrophobicContact CG2-CD2 4.2Å; I469-F514 HydrophobicContact CG2-CE2 4.02Å; F471-F514 AromaticContact CE2-CD2 3.83Å; F471-F514 HydrophobicContact CE2-CD2 3.83Å; F471-F514 HydrophobicContact CE2-CE2 4.23Å; F471-F514 HydrophobicContact CZ-CB 4.05Å; F471-F514 AromaticContact CZ-CD2 3.61Å; F471-F514 HydrophobicContact CZ-CD2 3.61Å; F471-F514 HydrophobicContact CZ-CE2 4.42Å; F471-F514 HydrophobicContact CZ-CG 4.05Å; V508-F514 HydrophobicContact CG1-CD2 4.49Å; V508-F514 HydrophobicContact CG2-CB 4.18Å; D510-F514 PolarHBondContact O-N 3.09Å; V511-F514 WeakPolarHBondContact O-CB 3.3Å; V511-F514 PolarHBondContact O-N 3.4Å; F514-K516 PolarHBondContact O-N 2.81Å; F514-V517 PolarHBondContact O-N 2.57Å; F514-L518 HydrophobicContact CE1-CD2 4.05Å; F514-L518 HydrophobicContact CZ-CD2 4.37Å; F514-L518 WeakPolarHBondContact O-CB 3.4Å; F514-L518 PolarHBondContact O-N 2.6Å; F514-V537 HydrophobicContact CE2-CG1 4.3Å; F514-V548 HydrophobicContact CD1-CG2 4.46Å; F514-V548 HydrophobicContact CD2-CG2 4.15Å; F514-V548 HydrophobicContact CE1-CB 4.24Å; F514-V548 HydrophobicContact CE1-CG1 4.23Å; F514-V548 HydrophobicContact CE1-CG2 4.21Å; F514-V548 HydrophobicContact CE2-CG1 4.38Å; F514-V548 HydrophobicContact CE2-CG2 3.86Å; F514-V548 HydrophobicContact CG-CG2 4.44Å; F514-V548 HydrophobicContact CZ-CB 4.13Å; F514-V548 HydrophobicContact CZ-CG1 3.78Å; F514-V548 HydrophobicContact CZ-CG2 3.91Å; F514-V551 HydrophobicContact CD1-CB 3.89Å; F514-V551 HydrophobicContact CD1-CG1 3.93Å; F514-V551 HydrophobicContact CD1-CG2 4.27Å; F514-V551 HydrophobicContact CE1-CB 3.98Å; F514-V551 HydrophobicContact CE1-CG1 4.04Å
515	E	97.8	Very high	96.3	Very high	56 Å²	56	53.8 Å²	53.8	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-43.9	178.6	175.9	160.4	-179	0	0	112.6	A513 L518 Q519 R550 V551 K555 F556	A513-E515 VanDerWaalsContact C-N 3.31Å; A513-E515 PolarHBondContact O-N 2.9Å; E515-L518 PolarHBondContact O-N 3.28Å; E515-Q519 WeakPolarHBondContact O-CB 3.3Å; E515-Q519 PolarHBondContact O-N 3.02Å; E515-R550 IonicContact OE2-NH2 2.62Å; E515-V551 HydrophobicContact CB-CG1 3.97Å; E515-V551 HydrophobicContact CB-CG2 4.38Å; E515-V551 HydrophobicContact CG-CG1 4.26Å; E515-K555 WeakPolarHBondContact OE1-CD 3.29Å; E515-K555 IonicContact OE1-NZ 3.55Å; E515-K555 PolarHBondContact OE1-NZ 3.26Å; E515-K555 IonicContact OE2-NZ 2.68Å; E515-K555 PolarHBondContact OE2-NZ 3Å; E515-F556 HydrophobicContact CG-CE2 4.03Å; E515-F556 HydrophobicContact CG-CZ 4.26Å
516	K	98	Very high	96.2	Very high	161 Å²	161	58 Å²	58	70%	0.7	30%	0.3	S	S	*	.	H	α-helix	trans	-65.6	-41.7	177.4	-66.9	-178.7	180	178	0	111.6	A513 F514 Q519 R520	A513-K516 PolarHBondContact O-N 3.38Å; A513-K516 VanDerWaalsContact O-N 3.12Å; F514-K516 PolarHBondContact O-N 2.81Å; K516-Q519 PolarHBondContact O-N 3.18Å; K516-R520 PolarHBondContact O-N 3.35Å
517	V	97.9	Very high	96.1	Very high	26 Å²	26	64.6 Å²	64.6	16%	0.158	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-43.8	177.4	175.7	0	0	0	0	110.8	I469 L506 V508 A513 F514 Q519 R520 L521	I469-V517 HydrophobicContact CD1-CG1 4Å; I469-V517 HydrophobicContact CG1-CG1 4.21Å; I469-V517 HydrophobicContact CG2-CG1 4.25Å; L506-V517 HydrophobicContact CB-CG1 3.73Å; L506-V517 HydrophobicContact CD1-CG1 3.75Å; L506-V517 HydrophobicContact CG-CG1 4.41Å; V508-V517 HydrophobicContact CB-CG2 4.14Å; V508-V517 HydrophobicContact CG2-CG2 4.09Å; A513-V517 WeakPolarHBondContact O-CG2 3.47Å; A513-V517 PolarHBondContact O-N 3.25Å; A513-V517 VanDerWaalsContact O-N 3.09Å; F514-V517 PolarHBondContact O-N 2.57Å; V517-Q519 VanDerWaalsContact C-N 3.35Å; V517-R520 PolarHBondContact O-N 2.82Å; V517-L521 PolarHBondContact O-N 3.5Å
518	L	98.1	Very high	96.1	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-37.6	177.1	-168.3	63.7	0	0	0	111.7	I469 F514 E515 L521 V522 V535 V551 A552 F556 I558	I469-L518 HydrophobicContact CD1-CD1 3.96Å; F514-L518 HydrophobicContact CE1-CD2 4.05Å; F514-L518 HydrophobicContact CZ-CD2 4.37Å; F514-L518 WeakPolarHBondContact O-CB 3.4Å; F514-L518 PolarHBondContact O-N 2.6Å; E515-L518 PolarHBondContact O-N 3.28Å; L518-L521 PolarHBondContact O-N 2.97Å; L518-V522 VanDerWaalsContact O-CG2 3.28Å; L518-V522 WeakPolarHBondContact O-CG2 3.28Å; L518-V522 PolarHBondContact O-N 3.42Å; L518-V535 HydrophobicContact CD1-CG2 4.26Å; L518-V551 HydrophobicContact CD2-CG1 4.04Å; L518-A552 HydrophobicContact CD2-CB 3.98Å; L518-F556 HydrophobicContact CD2-CB 4.07Å; L518-F556 HydrophobicContact CD2-CD2 3.62Å; L518-F556 HydrophobicContact CD2-CE2 4.22Å; L518-F556 HydrophobicContact CD2-CG 3.85Å; L518-F556 HydrophobicContact CG-CD2 4.27Å; L518-F556 HydrophobicContact CG-CG 4.25Å; L518-I558 HydrophobicContact CD1-CD1 4.12Å; L518-I558 HydrophobicContact CG-CD1 4.3Å
519	Q	98	Very high	96	Very high	108 Å²	108	75 Å²	75	51%	0.505	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-46.9	174.3	-171.9	171.7	14.3	0	0	111.9	E515 K516 V517 L521 V522 S523 F556	E515-Q519 WeakPolarHBondContact O-CB 3.3Å; E515-Q519 PolarHBondContact O-N 3.02Å; K516-Q519 PolarHBondContact O-N 3.18Å; V517-Q519 VanDerWaalsContact C-N 3.35Å; Q519-L521 VanDerWaalsContact C-N 3.34Å; Q519-L521 PolarHBondContact O-N 3.36Å; Q519-V522 PolarHBondContact O-N 2.89Å; Q519-S523 PolarHBondContact O-N 3.38Å; Q519-S523 PolarHBondContact O-OG 2.65Å; Q519-F556 HydrophobicContact CB-CE1 3.95Å; Q519-F556 HydrophobicContact CB-CZ 3.89Å; Q519-F556 HydrophobicContact CG-CE1 4.29Å; Q519-F556 HydrophobicContact CG-CZ 4.49Å
520	R	97.5	Very high	96.1	Very high	157 Å²	157	76.2 Å²	76.2	59%	0.592	37%	0.373	S	S	*	.	H	α-helix	trans	-54.9	-49.7	174.6	176.3	-177.5	171.7	179.3	0.9	111.4	K516 V517 V522 S523 E524	K516-R520 PolarHBondContact O-N 3.35Å; V517-R520 PolarHBondContact O-N 2.82Å; R520-V522 VanDerWaalsContact C-N 3.3Å; R520-V522 PolarHBondContact O-N 3.12Å; R520-S523 PolarHBondContact O-N 2.8Å; R520-E524 PolarHBondContact O-N 2.96Å
521	L	97.5	Very high	96	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-55.2	-47.7	177.5	-176.5	158	0	0	0	110.8	I469 M504 L506 V517 L518 Q519 S523 E524 Y525 C532 V535	I469-L521 HydrophobicContact CD1-CD1 4.2Å; I469-L521 HydrophobicContact CG1-CD1 4.23Å; M504-L521 HydrophobicContact SD-CG 4.12Å; L506-L521 HydrophobicContact CD1-CB 3.86Å; L506-L521 HydrophobicContact CD1-CD1 4.22Å; L506-L521 HydrophobicContact CD1-CG 4.46Å; V517-L521 PolarHBondContact O-N 3.5Å; L518-L521 PolarHBondContact O-N 2.97Å; Q519-L521 VanDerWaalsContact C-N 3.34Å; Q519-L521 PolarHBondContact O-N 3.36Å; L521-S523 PolarHBondContact O-N 3.19Å; L521-E524 PolarHBondContact O-N 3.41Å; L521-Y525 HydrophobicContact CD2-CD2 3.71Å; L521-Y525 HydrophobicContact CD2-CE2 3.76Å; L521-Y525 HydrophobicContact CG-CD2 4.27Å; L521-Y525 HydrophobicContact CG-CE2 4.2Å; L521-Y525 VanDerWaalsContact O-CD2 3.31Å; L521-Y525 WeakPolarHBondContact O-CD2 3.31Å; L521-Y525 PolarHBondContact O-N 3.01Å; L521-Y525 VanDerWaalsContact O-N 3.13Å; L521-C532 HydrophobicContact CD2-CB 3.96Å; L521-V535 HydrophobicContact CD1-CG1 4.48Å; L521-V535 HydrophobicContact CD1-CG2 4.05Å; L521-V535 HydrophobicContact CD2-CG2 4.25Å
522	V	96.1	Very high	96.1	Very high	27 Å²	27	77.6 Å²	77.6	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-63.5	-42.8	179.9	172.7	0	0	0	0	112.4	L518 Q519 R520 Y525 K526 F556 I558	L518-V522 VanDerWaalsContact O-CG2 3.28Å; L518-V522 WeakPolarHBondContact O-CG2 3.28Å; L518-V522 PolarHBondContact O-N 3.42Å; Q519-V522 PolarHBondContact O-N 2.89Å; R520-V522 VanDerWaalsContact C-N 3.3Å; R520-V522 PolarHBondContact O-N 3.12Å; V522-Y525 PolarHBondContact O-N 2.93Å; V522-K526 HydrophobicContact CG1-CD 4.28Å; V522-K526 WeakPolarHBondContact O-CG 3.12Å; V522-K526 PolarHBondContact O-N 3.47Å; V522-F556 HydrophobicContact CG2-CD1 4.03Å; V522-I558 HydrophobicContact CG2-CD1 3.16Å
523	S	96.7	Very high	96.1	Very high	49 Å²	49	77 Å²	77	34%	0.343	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-45.5	177.2	-63.9	0	0	0	0	111.2	Q519 R520 L521 Y525 K526 E527	Q519-S523 PolarHBondContact O-N 3.38Å; Q519-S523 PolarHBondContact O-OG 2.65Å; R520-S523 PolarHBondContact O-N 2.8Å; L521-S523 PolarHBondContact O-N 3.19Å; S523-Y525 VanDerWaalsContact C-N 3.34Å; S523-Y525 PolarHBondContact O-N 2.97Å; S523-K526 WeakPolarHBondContact O-CB 3.44Å; S523-K526 PolarHBondContact O-N 2.9Å; S523-E527 WeakPolarHBondContact O-CG 3.21Å; S523-E527 PolarHBondContact O-N 3.45Å
524	E	96.5	Very high	96.2	Very high	63 Å²	63	76.1 Å²	76.1	29%	0.294	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-39.4	-179.7	-166.3	166.3	148	0	0	112.1	M504 R520 L521 H528	M504-E524 HydrophobicContact CE-CB 4.14Å; M504-E524 HydrophobicContact CE-CG 4.15Å; M504-E524 WeakPolarHBondContact CE-OE1 3.45Å; M504-E524 WeakPolarHBondContact CE-OE2 3.29Å; M504-E524 HydrophobicContact SD-CB 3.96Å; M504-E524 VanDerWaalsContact SD-CD 3.57Å; M504-E524 HydrophobicContact SD-CG 3.99Å; R520-E524 PolarHBondContact O-N 2.96Å; L521-E524 PolarHBondContact O-N 3.41Å; E524-H528 PolarHBondContact O-N 3.42Å; E524-H528 PolarHBondContact O-ND1 3.44Å
525	Y	96.9	Very high	96.3	Very high	13 Å²	13	76.1 Å²	76.1	5%	0.051	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-40.9	171.8	-90.4	-80.4	0	0	0	112.9	N465 F466 S467 D503 M504 L521 V522 S523 H528 N529 K530 C532	N465-Y525 HydrophobicContact CB-CE1 3.84Å; F466-Y525 VanDerWaalsContact C-OH 3.29Å; F466-Y525 PolarHBondContact O-OH 3.18Å; S467-Y525 WeakPolarHBondContact OG-CE2 3.38Å; S467-Y525 PolarHBondContact OG-OH 2.87Å; D503-Y525 HydrophobicContact CB-CE1 4.44Å; D503-Y525 VanDerWaalsContact CB-OH 3.3Å; D503-Y525 WeakPolarHBondContact CB-OH 3.4Å; D503-Y525 VanDerWaalsContact CG-OH 3.32Å; D503-Y525 VanDerWaalsContact OD2-CE1 3.29Å; D503-Y525 WeakPolarHBondContact OD2-CE1 3.34Å; D503-Y525 VanDerWaalsContact OD2-CZ 3.27Å; D503-Y525 PolarHBondContact OD2-OH 3.19Å; M504-Y525 HydrophobicContact SD-CD2 4.4Å; M504-Y525 HydrophobicContact SD-CE2 4.28Å; L521-Y525 HydrophobicContact CD2-CD2 3.71Å; L521-Y525 HydrophobicContact CD2-CE2 3.76Å; L521-Y525 HydrophobicContact CG-CD2 4.27Å; L521-Y525 HydrophobicContact CG-CE2 4.2Å; L521-Y525 VanDerWaalsContact O-CD2 3.31Å; L521-Y525 WeakPolarHBondContact O-CD2 3.31Å; L521-Y525 PolarHBondContact O-N 3.01Å; L521-Y525 VanDerWaalsContact O-N 3.13Å; V522-Y525 PolarHBondContact O-N 2.93Å; S523-Y525 VanDerWaalsContact C-N 3.34Å; S523-Y525 PolarHBondContact O-N 2.97Å; Y525-H528 CarbonylContact O-C 3.59Å; Y525-H528 PolarHBondContact O-N 2.92Å; Y525-N529 PolarHBondContact O-N 3.28Å; Y525-K530 CarbonylContact C-O 3.57Å; Y525-K530 HydrophobicContact CD1-CB 3.72Å; Y525-K530 HydrophobicContact CE1-CB 4.38Å; Y525-K530 CarbonylContact O-C 3.58Å; Y525-K530 PolarHBondContact O-N 2.95Å; Y525-C532 HydrophobicContact CD1-CB 4.16Å; Y525-C532 HydrophobicContact CD2-CB 3.57Å; Y525-C532 HydrophobicContact CE1-CB 4.11Å; Y525-C532 HydrophobicContact CE2-CB 3.44Å; Y525-C532 VanDerWaalsContact CE2-CB 3.44Å; Y525-C532 VanDerWaalsContact CE2-SG 3.58Å; Y525-C532 HydrophobicContact CG-CB 3.89Å
526	K	94.8	Very high	96.3	Very high	155 Å²	155	73.4 Å²	73.4	67%	0.674	33%	0.334	S	S	*	.	H	α-helix	trans	-65.5	-43	178.5	-76.2	179.2	177.4	-175.5	0	111.8	V522 S523 H528 N529	V522-K526 HydrophobicContact CG1-CD 4.28Å; V522-K526 WeakPolarHBondContact O-CG 3.12Å; V522-K526 PolarHBondContact O-N 3.47Å; S523-K526 WeakPolarHBondContact O-CB 3.44Å; S523-K526 PolarHBondContact O-N 2.9Å; K526-H528 PolarHBondContact O-N 3.36Å; K526-N529 PolarHBondContact O-N 3.28Å
527	E	96	Very high	96.4	Very high	151 Å²	151	65.8 Å²	65.8	71%	0.706	30%	0.301	S	S	*	.	H	α-helix	trans	-58.3	-36	176.3	-74.1	169.4	-169.9	0	0	111.8	S523 N529	S523-E527 WeakPolarHBondContact O-CG 3.21Å; S523-E527 PolarHBondContact O-N 3.45Å; E527-N529 VanDerWaalsContact C-N 3.29Å; E527-N529 PolarHBondContact O-N 2.9Å
528	H	94.7	Very high	96.3	Very high	120 Å²	120	64.5 Å²	64.5	56%	0.556	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	13.3	176.5	-66.2	84.7	0	0	0	114.1	E524 Y525 K526 K530	E524-H528 PolarHBondContact O-N 3.42Å; E524-H528 PolarHBondContact O-ND1 3.44Å; Y525-H528 CarbonylContact O-C 3.59Å; Y525-H528 PolarHBondContact O-N 2.92Å; K526-H528 PolarHBondContact O-N 3.36Å; H528-K530 HydrophobicContact CB-CD 4.44Å; H528-K530 WeakPolarHBondContact O-CG 3.26Å; H528-K530 PolarHBondContact O-N 2.81Å; H528-K530 VanDerWaalsContact O-N 3.11Å
529	N	94.2	Very high	96.3	Very high	158 Å²	158	64.7 Å²	64.7	85%	0.845	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	36.2	-177.4	-157.8	20.2	0	0	0	113.9	Y525 K526 E527	Y525-N529 PolarHBondContact O-N 3.28Å; K526-N529 PolarHBondContact O-N 3.28Å; E527-N529 VanDerWaalsContact C-N 3.29Å; E527-N529 PolarHBondContact O-N 2.9Å
530	K	92.7	Very high	96	Very high	114 Å²	114	62.8 Å²	62.8	50%	0.496	29%	0.293	S	S	.	.			trans	-117	167.4	178.4	-74.1	172.6	-174.3	174.1	0	110.1	Y525 H528	Y525-K530 CarbonylContact C-O 3.57Å; Y525-K530 HydrophobicContact CD1-CB 3.72Å; Y525-K530 HydrophobicContact CE1-CB 4.38Å; Y525-K530 CarbonylContact O-C 3.58Å; Y525-K530 PolarHBondContact O-N 2.95Å; H528-K530 HydrophobicContact CB-CD 4.44Å; H528-K530 WeakPolarHBondContact O-CG 3.26Å; H528-K530 PolarHBondContact O-N 2.81Å; H528-K530 VanDerWaalsContact O-N 3.11Å
531	R	91.6	Very high	95.6	Very high	129 Å²	129	58.3 Å²	58.3	49%	0.487	28%	0.281	S	S	.	.			trans	-126.2	119.6	174.5	179.9	175.8	173.1	-178.6	-0.3	110.6	R533	R531-R533 PolarHBondContact O-N 3.15Å
532	C	95.7	Very high	95.1	Very high	11 Å²	11	63.1 Å²	63.1	7%	0.074	31%	0.31	C	S	.	.			trans	-63.6	122.2	168.4	-162.9	0	0	0	0	110	L521 Y525 L534	L521-C532 HydrophobicContact CD2-CB 3.96Å; Y525-C532 HydrophobicContact CD1-CB 4.16Å; Y525-C532 HydrophobicContact CD2-CB 3.57Å; Y525-C532 HydrophobicContact CE1-CB 4.11Å; Y525-C532 HydrophobicContact CE2-CB 3.44Å; Y525-C532 VanDerWaalsContact CE2-CB 3.44Å; Y525-C532 VanDerWaalsContact CE2-SG 3.58Å; Y525-C532 HydrophobicContact CG-CB 3.89Å; C532-L534 PolarHBondContact SG-O 3.17Å; C532-L534 VanDerWaalsContact SG-O 3.35Å
533	R	95.1	Very high	94.7	Very high	100 Å²	100	69.6 Å²	69.6	38%	0.377	34%	0.336	S	S	.	.			trans	-93.5	-31.2	-179.2	-65.2	-65.5	175.1	88.9	-0.7	112.7	N465 R531 M559 M591	N465-R533 WeakPolarHBondContact O-CB 3.28Å; N465-R533 PolarHBondContact O-N 2.96Å; R531-R533 PolarHBondContact O-N 3.15Å; R533-M559 WeakPolarHBondContact O-CB 3.12Å; R533-M591 HydrophobicContact CB-CE 3.64Å; R533-M591 HydrophobicContact CG-CE 4.41Å
534	L	98.2	Very high	94.6	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	140.7	-176.4	178	70.2	0	0	0	110.1	C463 F466 S467 M498 C532 L536 M559 Q561 V587 M591	C463-L534 VanDerWaalsContact SG-CB 3.51Å; F466-L534 VanDerWaalsContact CA-O 3.23Å; F466-L534 WeakPolarHBondContact CA-O 3.46Å; F466-L534 HydrophobicContact CB-CB 4Å; F466-L534 VanDerWaalsContact CB-O 3.28Å; F466-L534 WeakPolarHBondContact CB-O 3.38Å; S467-L534 PolarHBondContact N-O 3.04Å; M498-L534 HydrophobicContact CE-CD2 4.09Å; C532-L534 PolarHBondContact SG-O 3.17Å; C532-L534 VanDerWaalsContact SG-O 3.35Å; L534-L536 HydrophobicContact CD2-CD2 3.81Å; L534-L536 HydrophobicContact CD2-CG 4.37Å; L534-L536 HydrophobicContact CG-CD2 4.26Å; L534-M559 CarbonylContact C-O 3.47Å; L534-M559 WeakPolarHBondContact CA-O 3.28Å; L534-M559 HydrophobicContact CD1-CB 4.22Å; L534-M559 HydrophobicContact CD1-CG 3.85Å; L534-Q561 HydrophobicContact CD1-CB 4.08Å; L534-V587 HydrophobicContact CD2-CG1 3.81Å; L534-V587 HydrophobicContact CD2-CG2 4.22Å; L534-M591 HydrophobicContact CB-SD 4.2Å
535	V	98.6	Very high	94.6	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.7	165.2	-177.7	0	0	0	0	109.4	S467 I469 L518 L521 V537 I558 M559 T560 Q561	S467-V535 CarbonylContact O-C 3.58Å; S467-V535 VanDerWaalsContact O-CA 3.31Å; S467-V535 WeakPolarHBondContact O-CA 3.14Å; I469-V535 HydrophobicContact CB-CG1 4.28Å; I469-V535 HydrophobicContact CD1-CG1 3.91Å; I469-V535 HydrophobicContact CG1-CG1 3.82Å; L518-V535 HydrophobicContact CD1-CG2 4.26Å; L521-V535 HydrophobicContact CD1-CG1 4.48Å; L521-V535 HydrophobicContact CD1-CG2 4.05Å; L521-V535 HydrophobicContact CD2-CG2 4.25Å; V535-V537 HydrophobicContact CG1-CG2 3.9Å; V535-I558 HydrophobicContact CB-CG2 4.48Å; V535-I558 HydrophobicContact CG2-CG2 3.72Å; V535-M559 PolarHBondContact N-O 3.31Å; V535-T560 HydrophobicContact CB-CG2 4.24Å; V535-T560 VanDerWaalsContact O-CA 3.29Å; V535-T560 WeakPolarHBondContact O-CA 3.38Å; V535-Q561 PolarHBondContact O-N 3.1Å
536	L	98.5	Very high	94.5	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.9	169.3	-65.7	-173.3	0	0	0	108.2	F466 S467 A468 I469 F483 C484 L534 Q561 F563	F466-L536 HydrophobicContact CD2-CD1 4.22Å; F466-L536 HydrophobicContact CD2-CG 4.25Å; F466-L536 HydrophobicContact CE2-CD1 3.9Å; F466-L536 HydrophobicContact CE2-CG 4.41Å; S467-L536 PolarHBondContact O-N 3.24Å; A468-L536 CarbonylContact C-O 3.44Å; A468-L536 WeakPolarHBondContact CA-O 3.49Å; A468-L536 HydrophobicContact CB-CB 4.17Å; A468-L536 WeakPolarHBondContact CB-O 3.36Å; I469-L536 PolarHBondContact N-O 3.32Å; F483-L536 HydrophobicContact CE1-CD1 4.36Å; C484-L536 HydrophobicContact CB-CD1 4.43Å; L534-L536 HydrophobicContact CD2-CD2 3.81Å; L534-L536 HydrophobicContact CD2-CG 4.37Å; L534-L536 HydrophobicContact CG-CD2 4.26Å; L536-Q561 HydrophobicContact CD2-CB 3.77Å; L536-Q561 HydrophobicContact CD2-CG 4.14Å; L536-F563 HydrophobicContact CB-CE1 3.99Å
537	V	98.3	Very high	94.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	111	-175.1	-170.8	0	0	0	0	110.4	I469 F471 F514 V535 L539 V548 T560 Q561 C562 F563	I469-V537 CarbonylContact O-C 3.48Å; I469-V537 VanDerWaalsContact O-CA 3.28Å; I469-V537 WeakPolarHBondContact O-CA 2.98Å; F471-V537 HydrophobicContact CD2-CG1 4.07Å; F471-V537 HydrophobicContact CE2-CG1 3.87Å; F514-V537 HydrophobicContact CE2-CG1 4.3Å; V535-V537 HydrophobicContact CG1-CG2 3.9Å; V537-L539 HydrophobicContact CG1-CD2 3.84Å; V537-L539 PolarHBondContact O-N 3.17Å; V537-V548 HydrophobicContact CB-CG1 4.36Å; V537-V548 HydrophobicContact CG1-CG1 4.26Å; V537-V548 HydrophobicContact CG1-CG2 4.01Å; V537-V548 HydrophobicContact CG2-CG1 4.01Å; V537-T560 HydrophobicContact CG2-CG2 4.12Å; V537-Q561 PolarHBondContact N-O 2.64Å; V537-C562 CarbonylContact O-C 3.48Å; V537-C562 VanDerWaalsContact O-CA 3.23Å; V537-C562 WeakPolarHBondContact O-CA 3.42Å; V537-F563 WeakPolarHBondContact O-CD1 3.27Å; V537-F563 PolarHBondContact O-N 2.85Å
538	S	97.6	Very high	94.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.2	172.6	-169.2	0	0	0	0	109.1	I469 F471 Q565	I469-S538 PolarHBondContact O-N 3.31Å; F471-S538 WeakPolarHBondContact CD2-O 3.14Å; F471-S538 PolarHBondContact N-O 2.7Å; S538-Q565 PolarHBondContact OG-NE2 3.1Å
539	L	96.4	Very high	94.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.4	177	-56.2	-176.5	0	0	0	110.1	F471 V537 E544 Y545 V548 C562 F563 M564	F471-L539 HydrophobicContact CD2-CD2 3.93Å; F471-L539 HydrophobicContact CE2-CD2 4.06Å; V537-L539 HydrophobicContact CG1-CD2 3.84Å; V537-L539 PolarHBondContact O-N 3.17Å; L539-E544 VanDerWaalsContact CA-OE2 3.27Å; L539-E544 WeakPolarHBondContact CA-OE2 3.28Å; L539-E544 HydrophobicContact CD2-CB 3.94Å; L539-Y545 HydrophobicContact CD1-CD2 4.06Å; L539-Y545 HydrophobicContact CD1-CG 4.49Å; L539-V548 HydrophobicContact CD2-CG2 4.11Å; L539-C562 HydrophobicContact CD1-CB 3.72Å; L539-C562 HydrophobicContact CD2-CB 4.46Å; L539-C562 HydrophobicContact CG-CB 4Å; L539-F563 PolarHBondContact N-O 2.83Å; L539-M564 HydrophobicContact CB-CE 4.04Å; L539-M564 HydrophobicContact CB-SD 3.79Å; L539-M564 HydrophobicContact CD1-CE 3.93Å
540	S	92.6	Very high	94.9	Very high	67 Å²	67	42.9 Å²	42.9	47%	0.469	20%	0.203	S	C	.	.	S	Bend	trans	-90.6	-31	169.8	88.5	0	0	0	0	111.5	E544	S540-E544 PolarHBondContact N-OE2 2.92Å; S540-E544 PolarHBondContact OG-OE1 3.46Å
541	D	89.2	Confident	95.1	Very high	63 Å²	63	37.5 Å²	37.5	34%	0.337	18%	0.179	S	C	.	.	S	Bend	trans	-138.7	148.2	177.6	-168.2	-57.5	0	0	0	111.6	K543 E544	D541-K543 PolarHBondContact O-N 2.71Å; D541-K543 WeakPolarHBondContact OD1-CB 3.39Å; D541-K543 VanDerWaalsContact OD1-CG 3.3Å; D541-K543 WeakPolarHBondContact OD1-CG 3.3Å; D541-K543 PolarHBondContact OD1-N 2.78Å; D541-E544 PolarHBondContact N-OE2 3.22Å; D541-E544 VanDerWaalsContact N-OE2 3.08Å; D541-E544 WeakPolarHBondContact O-CB 3.44Å; D541-E544 PolarHBondContact O-N 2.85Å
542	T	87.7	Confident	95.4	Very high	102 Å²	102	31.3 Å²	31.3	63%	0.626	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.1	171.4	52.5	0	0	0	0	115.2	E544 Y545 M564	T542-E544 VanDerWaalsContact C-N 3.27Å; T542-E544 PolarHBondContact O-N 2.72Å; T542-Y545 VanDerWaalsContact O-CB 3.3Å; T542-Y545 WeakPolarHBondContact O-CB 3.16Å; T542-Y545 PolarHBondContact O-N 3.26Å; T542-M564 HydrophobicContact CG2-CE 3.55Å
543	K	87.3	Confident	95.4	Very high	162 Å²	162	30.8 Å²	30.8	70%	0.704	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.8	-178.8	-67.2	168.2	-173.1	173	0	112.5	D541 Y545	D541-K543 PolarHBondContact O-N 2.71Å; D541-K543 WeakPolarHBondContact OD1-CB 3.39Å; D541-K543 VanDerWaalsContact OD1-CG 3.3Å; D541-K543 WeakPolarHBondContact OD1-CG 3.3Å; D541-K543 PolarHBondContact OD1-N 2.78Å; K543-Y545 PolarHBondContact O-N 3.21Å
544	E	95.2	Very high	95.4	Very high	18 Å²	18	27.6 Å²	27.6	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-65.3	-27.6	179.1	-63.1	161.5	171.9	0	0	112.1	F471 V511 L539 S540 D541 T542 S546 E547 V548	F471-E544 WeakPolarHBondContact CB-OE1 3.21Å; F471-E544 WeakPolarHBondContact CB-OE2 3.45Å; F471-E544 HydrophobicContact CD1-CG 3.92Å; F471-E544 HydrophobicContact CD2-CB 4.42Å; F471-E544 HydrophobicContact CE1-CB 4.37Å; F471-E544 HydrophobicContact CE1-CG 4.08Å; F471-E544 HydrophobicContact CE2-CB 4.27Å; F471-E544 VanDerWaalsContact CG-CD 3.44Å; F471-E544 HydrophobicContact CG-CG 4.17Å; F471-E544 WeakPolarHBondContact CG-OE2 3.43Å; F471-E544 HydrophobicContact CZ-CB 4.25Å; F471-E544 HydrophobicContact CZ-CG 4.45Å; V511-E544 HydrophobicContact CG1-CB 4.13Å; V511-E544 HydrophobicContact CG1-CG 3.88Å; L539-E544 VanDerWaalsContact CA-OE2 3.27Å; L539-E544 WeakPolarHBondContact CA-OE2 3.28Å; L539-E544 HydrophobicContact CD2-CB 3.94Å; S540-E544 PolarHBondContact N-OE2 2.92Å; S540-E544 PolarHBondContact OG-OE1 3.46Å; D541-E544 PolarHBondContact N-OE2 3.22Å; D541-E544 VanDerWaalsContact N-OE2 3.08Å; D541-E544 WeakPolarHBondContact O-CB 3.44Å; D541-E544 PolarHBondContact O-N 2.85Å; T542-E544 VanDerWaalsContact C-N 3.27Å; T542-E544 PolarHBondContact O-N 2.72Å; E544-S546 VanDerWaalsContact C-N 3.34Å; E544-S546 PolarHBondContact O-N 2.63Å; E544-E547 PolarHBondContact O-N 3.39Å; E544-V548 WeakPolarHBondContact O-CG2 3.49Å; E544-V548 PolarHBondContact O-N 2.99Å
545	Y	96.2	Very high	95.2	Very high	59 Å²	59	31.9 Å²	31.9	23%	0.231	16%	0.162	C	C	.	.	H	α-helix	trans	-56.7	-45.2	-175.4	-179.6	-90.4	0	0	0	112.8	L539 T542 K543 E547 V548 K549 C562 R816 H819	L539-Y545 HydrophobicContact CD1-CD2 4.06Å; L539-Y545 HydrophobicContact CD1-CG 4.49Å; T542-Y545 VanDerWaalsContact O-CB 3.3Å; T542-Y545 WeakPolarHBondContact O-CB 3.16Å; T542-Y545 PolarHBondContact O-N 3.26Å; K543-Y545 PolarHBondContact O-N 3.21Å; Y545-E547 VanDerWaalsContact C-N 3.31Å; Y545-E547 PolarHBondContact O-N 2.79Å; Y545-V548 PolarHBondContact O-N 3.36Å; Y545-K549 HydrophobicContact CD1-CG 4.08Å; Y545-K549 HydrophobicContact CE1-CG 3.64Å; Y545-K549 HydrophobicContact CE2-CD 4.37Å; Y545-K549 VanDerWaalsContact CE2-CE 3.41Å; Y545-K549 HydrophobicContact CE2-CG 4.14Å; Y545-K549 WeakPolarHBondContact O-CG 3.42Å; Y545-K549 PolarHBondContact O-N 3.44Å; Y545-C562 HydrophobicContact CD2-CB 3.97Å; Y545-C562 HydrophobicContact CE2-CB 4.18Å; Y545-R816 PolarHBondContact OH-NE 3.42Å; Y545-H819 AromaticContact CD1-CE1 3.56Å; Y545-H819 AromaticContact CD1-ND1 3.69Å; Y545-H819 AromaticContact CD1-NE2 3.79Å; Y545-H819 AromaticContact CE1-CD2 3.58Å; Y545-H819 AromaticContact CE1-CE1 3.79Å; Y545-H819 AromaticContact CE1-CG 3.85Å; Y545-H819 AromaticContact CE1-ND1 3.98Å; Y545-H819 AromaticContact CE1-NE2 3.51Å
546	S	94.9	Very high	95.1	Very high	20 Å²	20	33.7 Å²	33.7	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-42.8	-177.9	-61.1	0	0	0	0	111.2	E544 K549 R550 H819	E544-S546 VanDerWaalsContact C-N 3.34Å; E544-S546 PolarHBondContact O-N 2.63Å; S546-K549 PolarHBondContact O-N 3.19Å; S546-R550 WeakPolarHBondContact O-CB 3.48Å; S546-R550 PolarHBondContact O-N 3Å; S546-H819 PolarHBondContact OG-ND1 3.47Å
547	E	96	Very high	94.9	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.056	17%	0.172	C	C	.	.	H	α-helix	trans	-67	-46.5	179.3	-176.8	64.2	-179.3	0	0	111.9	V511 E544 Y545 K549 R550 V551 Y822	V511-E547 HydrophobicContact CB-CB 4.04Å; V511-E547 HydrophobicContact CB-CG 3.95Å; V511-E547 HydrophobicContact CG1-CB 4.15Å; E544-E547 PolarHBondContact O-N 3.39Å; Y545-E547 VanDerWaalsContact C-N 3.31Å; Y545-E547 PolarHBondContact O-N 2.79Å; E547-K549 VanDerWaalsContact C-N 3.25Å; E547-K549 PolarHBondContact O-N 3.25Å; E547-R550 PolarHBondContact O-N 3.13Å; E547-R550 IonicContact OE1-CZ 2.65Å; E547-R550 IonicContact OE1-NE 2.76Å; E547-R550 IonicContact OE1-NH2 2.84Å; E547-R550 PolarHBondContact OE1-NH2 3.46Å; E547-R550 IonicContact OE2-CZ 2.77Å; E547-R550 IonicContact OE2-NE 3.98Å; E547-R550 PolarHBondContact OE2-NE 2.77Å; E547-R550 IonicContact OE2-NH2 3.17Å; E547-R550 PolarHBondContact OE2-NH2 2.97Å; E547-V551 HydrophobicContact CG-CG2 4.15Å; E547-V551 WeakPolarHBondContact O-CB 3.25Å; E547-V551 WeakPolarHBondContact O-CG2 3.45Å; E547-V551 PolarHBondContact O-N 3.44Å; E547-V551 WeakPolarHBondContact OE1-CG2 3.3Å; E547-Y822 HydrophobicContact CB-CE1 4.47Å; E547-Y822 WeakPolarHBondContact OE2-CE1 2.81Å; E547-Y822 PolarHBondContact OE2-OH 2.89Å
548	V	98	Very high	94.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-54.2	-45.8	176.6	171.8	0	0	0	0	110.8	F471 F514 V537 L539 E544 Y545 A552 T560	F471-V548 HydrophobicContact CE2-CG2 3.56Å; F471-V548 HydrophobicContact CZ-CG2 3.92Å; F514-V548 HydrophobicContact CD1-CG2 4.46Å; F514-V548 HydrophobicContact CD2-CG2 4.15Å; F514-V548 HydrophobicContact CE1-CB 4.24Å; F514-V548 HydrophobicContact CE1-CG1 4.23Å; F514-V548 HydrophobicContact CE1-CG2 4.21Å; F514-V548 HydrophobicContact CE2-CG1 4.38Å; F514-V548 HydrophobicContact CE2-CG2 3.86Å; F514-V548 HydrophobicContact CG-CG2 4.44Å; F514-V548 HydrophobicContact CZ-CB 4.13Å; F514-V548 HydrophobicContact CZ-CG1 3.78Å; F514-V548 HydrophobicContact CZ-CG2 3.91Å; V537-V548 HydrophobicContact CB-CG1 4.36Å; V537-V548 HydrophobicContact CG1-CG1 4.26Å; V537-V548 HydrophobicContact CG1-CG2 4.01Å; V537-V548 HydrophobicContact CG2-CG1 4.01Å; L539-V548 HydrophobicContact CD2-CG2 4.11Å; E544-V548 WeakPolarHBondContact O-CG2 3.49Å; E544-V548 PolarHBondContact O-N 2.99Å; Y545-V548 PolarHBondContact O-N 3.36Å; V548-A552 WeakPolarHBondContact O-CB 3.48Å; V548-A552 PolarHBondContact O-N 3.23Å; V548-T560 HydrophobicContact CG1-CG2 4.22Å
549	K	96.8	Very high	94.7	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-70.2	-41.5	179.8	-64.4	-40.2	-174.4	178.1	0	112.7	Y545 S546 E547 D553 T560 H819	Y545-K549 HydrophobicContact CD1-CG 4.08Å; Y545-K549 HydrophobicContact CE1-CG 3.64Å; Y545-K549 HydrophobicContact CE2-CD 4.37Å; Y545-K549 VanDerWaalsContact CE2-CE 3.41Å; Y545-K549 HydrophobicContact CE2-CG 4.14Å; Y545-K549 WeakPolarHBondContact O-CG 3.42Å; Y545-K549 PolarHBondContact O-N 3.44Å; S546-K549 PolarHBondContact O-N 3.19Å; E547-K549 VanDerWaalsContact C-N 3.25Å; E547-K549 PolarHBondContact O-N 3.25Å; K549-D553 WeakPolarHBondContact O-CB 3.19Å; K549-D553 VanDerWaalsContact O-CG 3.24Å; K549-D553 PolarHBondContact O-N 2.93Å; K549-T560 PolarHBondContact NZ-O 3.26Å; K549-T560 PolarHBondContact NZ-OG1 3Å; K549-H819 HydrophobicContact CB-CB 4.49Å
550	R	95.5	Very high	94.8	Very high	39 Å²	39	34.8 Å²	34.8	15%	0.147	18%	0.177	C	C	.	.	I	π-helix	trans	-59.2	-53.7	176.3	-174.5	-169.1	72.1	83.8	1.6	110.5	E515 S546 E547 V554 H820 Y822	E515-R550 IonicContact OE2-NH2 2.62Å; S546-R550 WeakPolarHBondContact O-CB 3.48Å; S546-R550 PolarHBondContact O-N 3Å; E547-R550 PolarHBondContact O-N 3.13Å; E547-R550 IonicContact OE1-CZ 2.65Å; E547-R550 IonicContact OE1-NE 2.76Å; E547-R550 IonicContact OE1-NH2 2.84Å; E547-R550 PolarHBondContact OE1-NH2 3.46Å; E547-R550 IonicContact OE2-CZ 2.77Å; E547-R550 IonicContact OE2-NE 3.98Å; E547-R550 PolarHBondContact OE2-NE 2.77Å; E547-R550 IonicContact OE2-NH2 3.17Å; E547-R550 PolarHBondContact OE2-NH2 2.97Å; R550-V554 WeakPolarHBondContact O-CB 3.43Å; R550-V554 WeakPolarHBondContact O-CG2 3.38Å; R550-V554 PolarHBondContact O-N 2.83Å; R550-V554 VanDerWaalsContact O-N 3.13Å; R550-H820 WeakPolarHBondContact CG-O 3.42Å; R550-Y822 HydrophobicContact CB-CD1 4.49Å; R550-Y822 HydrophobicContact CB-CE1 4.18Å
551	V	96.9	Very high	95.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-66.6	-53.9	-176.8	176	0	0	0	0	110.7	F514 E515 L518 E547 K555 F556	F514-V551 HydrophobicContact CD1-CB 3.89Å; F514-V551 HydrophobicContact CD1-CG1 3.93Å; F514-V551 HydrophobicContact CD1-CG2 4.27Å; F514-V551 HydrophobicContact CE1-CB 3.98Å; F514-V551 HydrophobicContact CE1-CG1 4.04Å; E515-V551 HydrophobicContact CB-CG1 3.97Å; E515-V551 HydrophobicContact CB-CG2 4.38Å; E515-V551 HydrophobicContact CG-CG1 4.26Å; L518-V551 HydrophobicContact CD2-CG1 4.04Å; E547-V551 HydrophobicContact CG-CG2 4.15Å; E547-V551 WeakPolarHBondContact O-CB 3.25Å; E547-V551 WeakPolarHBondContact O-CG2 3.45Å; E547-V551 PolarHBondContact O-N 3.44Å; E547-V551 WeakPolarHBondContact OE1-CG2 3.3Å; V551-K555 WeakPolarHBondContact O-CA 3.43Å; V551-K555 VanDerWaalsContact O-CB 3.31Å; V551-K555 WeakPolarHBondContact O-CB 3.49Å; V551-K555 PolarHBondContact O-N 3.44Å; V551-F556 HydrophobicContact CG1-CD2 3.72Å; V551-F556 HydrophobicContact CG1-CE2 3.61Å; V551-F556 PolarHBondContact O-N 3.11Å
552	A	97.7	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	I	π-helix	trans	-68.8	-42.3	-174.1	0	0	0	0	0	113.3	L518 V548 G557 I558 T560	L518-A552 HydrophobicContact CD2-CB 3.98Å; V548-A552 WeakPolarHBondContact O-CB 3.48Å; V548-A552 PolarHBondContact O-N 3.23Å; A552-G557 WeakPolarHBondContact O-CA 3.1Å; A552-G557 PolarHBondContact O-N 3.22Å; A552-I558 PolarHBondContact O-N 3.39Å; A552-T560 HydrophobicContact CB-CG2 3.43Å; A552-T560 VanDerWaalsContact CB-CG2 3.43Å
553	D	96.4	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-79.9	-37	-175.1	-58.3	-17.7	0	0	0	112.3	K549 R816 H820 V852 H853 I856 Y861	K549-D553 WeakPolarHBondContact O-CB 3.19Å; K549-D553 VanDerWaalsContact O-CG 3.24Å; K549-D553 PolarHBondContact O-N 2.93Å; D553-R816 IonicContact OD1-NH1 3.55Å; D553-R816 WeakPolarHBondContact OD2-CD 3.5Å; D553-R816 IonicContact OD2-CZ 3.7Å; D553-R816 IonicContact OD2-NH1 2.77Å; D553-R816 PolarHBondContact OD2-NH1 3.14Å; D553-H820 WeakPolarHBondContact CB-NE2 3.45Å; D553-H820 IonicContact OD2-CD2 2.75Å; D553-H820 IonicContact OD2-CE1 2.85Å; D553-H820 IonicContact OD2-NE2 3.93Å; D553-H820 PolarHBondContact OD2-NE2 2.84Å; D553-V852 HydrophobicContact CB-CG1 4.18Å; D553-H853 WeakPolarHBondContact O-CB 3.13Å; D553-H853 PolarHBondContact O-N 3.44Å; D553-I856 HydrophobicContact CB-CD1 3.72Å; D553-Y861 HydrophobicContact CB-CD2 4.37Å
554	V	94.4	Very high	96.3	Very high	32 Å²	32	20.7 Å²	20.7	19%	0.194	10%	0.099	C	C	.	.	I	π-helix	trans	-95.4	-42.8	-172.3	-176.3	0	0	0	0	112.1	R550 H820 A849	R550-V554 WeakPolarHBondContact O-CB 3.43Å; R550-V554 WeakPolarHBondContact O-CG2 3.38Å; R550-V554 PolarHBondContact O-N 2.83Å; R550-V554 VanDerWaalsContact O-N 3.13Å; V554-H820 HydrophobicContact CG2-CB 4.01Å; V554-A849 WeakPolarHBondContact CG2-O 3.3Å
555	K	94.9	Very high	96.2	Very high	91 Å²	91	23 Å²	23	40%	0.396	11%	0.109	S	C	.	.	I	π-helix	trans	-89.9	-41.5	-174.7	-65.3	-172.3	165.4	-169.5	0	113.8	E515 V551 H853	E515-K555 WeakPolarHBondContact OE1-CD 3.29Å; E515-K555 IonicContact OE1-NZ 3.55Å; E515-K555 PolarHBondContact OE1-NZ 3.26Å; E515-K555 IonicContact OE2-NZ 2.68Å; E515-K555 PolarHBondContact OE2-NZ 3Å; V551-K555 WeakPolarHBondContact O-CA 3.43Å; V551-K555 VanDerWaalsContact O-CB 3.31Å; V551-K555 WeakPolarHBondContact O-CB 3.49Å; V551-K555 PolarHBondContact O-N 3.44Å; K555-H853 PolarHBondContact O-CD2 3.47Å
556	F	96	Very high	96	Very high	38 Å²	38	28.4 Å²	28.4	17%	0.167	13%	0.129	C	C	.	.	I	π-helix	trans	-107.1	-23.9	-172.5	-69.1	-90.2	0	0	0	114.1	E515 L518 Q519 V522 V551 I558	E515-F556 HydrophobicContact CG-CE2 4.03Å; E515-F556 HydrophobicContact CG-CZ 4.26Å; L518-F556 HydrophobicContact CD2-CB 4.07Å; L518-F556 HydrophobicContact CD2-CD2 3.62Å; L518-F556 HydrophobicContact CD2-CE2 4.22Å; L518-F556 HydrophobicContact CD2-CG 3.85Å; L518-F556 HydrophobicContact CG-CD2 4.27Å; L518-F556 HydrophobicContact CG-CG 4.25Å; Q519-F556 HydrophobicContact CB-CE1 3.95Å; Q519-F556 HydrophobicContact CB-CZ 3.89Å; Q519-F556 HydrophobicContact CG-CE1 4.29Å; Q519-F556 HydrophobicContact CG-CZ 4.49Å; V522-F556 HydrophobicContact CG2-CD1 4.03Å; V551-F556 HydrophobicContact CG1-CD2 3.72Å; V551-F556 HydrophobicContact CG1-CE2 3.61Å; V551-F556 PolarHBondContact O-N 3.11Å; F556-I558 HydrophobicContact CB-CD1 3.86Å; F556-I558 HydrophobicContact CB-CG1 4.02Å
557	G	95	Very high	96.1	Very high	4 Å²	4	28.9 Å²	28.9	4%	0.041	13%	0.131	C	C	.	.			trans	62.5	45.9	-174.7	0	0	0	0	0	112.6	A552 H853 N855 I856	A552-G557 WeakPolarHBondContact O-CA 3.1Å; A552-G557 PolarHBondContact O-N 3.22Å; G557-H853 VanDerWaalsContact CA-CB 3.46Å; G557-N855 WeakPolarHBondContact O-CB 3.48Å; G557-I856 WeakPolarHBondContact O-CG2 3.26Å
558	I	95.7	Very high	96.1	Very high	15 Å²	15	28.4 Å²	28.4	8%	0.077	13%	0.13	C	C	.	.			trans	-114.5	129.5	178.7	-63.1	171.1	0	0	0	109	L518 V522 V535 A552 F556 T560	L518-I558 HydrophobicContact CD1-CD1 4.12Å; L518-I558 HydrophobicContact CG-CD1 4.3Å; V522-I558 HydrophobicContact CG2-CD1 3.16Å; V535-I558 HydrophobicContact CB-CG2 4.48Å; V535-I558 HydrophobicContact CG2-CG2 3.72Å; A552-I558 PolarHBondContact O-N 3.39Å; F556-I558 HydrophobicContact CB-CD1 3.86Å; F556-I558 HydrophobicContact CB-CG1 4.02Å; I558-T560 PolarHBondContact O-N 3.18Å
559	M	96.7	Very high	95.9	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.034	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	129.8	177.4	-168.8	59.9	64.2	0	0	110.3	R533 L534 V535 K590 M591 I856 T859	R533-M559 WeakPolarHBondContact O-CB 3.12Å; L534-M559 CarbonylContact C-O 3.47Å; L534-M559 WeakPolarHBondContact CA-O 3.28Å; L534-M559 HydrophobicContact CD1-CB 4.22Å; L534-M559 HydrophobicContact CD1-CG 3.85Å; V535-M559 PolarHBondContact N-O 3.31Å; M559-K590 HydrophobicContact CE-CB 4.16Å; M559-K590 HydrophobicContact CE-CG 4.43Å; M559-K590 WeakPolarHBondContact CE-O 3.23Å; M559-K590 HydrophobicContact CG-CB 3.71Å; M559-K590 HydrophobicContact CG-CD 3.97Å; M559-K590 HydrophobicContact CG-CG 4.14Å; M559-K590 HydrophobicContact SD-CB 3.65Å; M559-K590 HydrophobicContact SD-CD 3.66Å; M559-K590 HydrophobicContact SD-CG 3.55Å; M559-K590 VanDerWaalsContact SD-CG 3.55Å; M559-M591 HydrophobicContact CG-SD 4.36Å; M559-I856 HydrophobicContact CE-CB 4.48Å; M559-I856 HydrophobicContact CE-CG2 4.25Å; M559-T859 WeakPolarHBondContact CE-OG1 3.34Å
560	T	98	Very high	96	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.9	176.3	52	0	0	0	0	112.2	V535 V537 V548 K549 A552 I558 K590	V535-T560 HydrophobicContact CB-CG2 4.24Å; V535-T560 VanDerWaalsContact O-CA 3.29Å; V535-T560 WeakPolarHBondContact O-CA 3.38Å; V537-T560 HydrophobicContact CG2-CG2 4.12Å; V548-T560 HydrophobicContact CG1-CG2 4.22Å; K549-T560 PolarHBondContact NZ-O 3.26Å; K549-T560 PolarHBondContact NZ-OG1 3Å; A552-T560 HydrophobicContact CB-CG2 3.43Å; A552-T560 VanDerWaalsContact CB-CG2 3.43Å; I558-T560 PolarHBondContact O-N 3.18Å; T560-K590 PolarHBondContact O-NZ 3.37Å
561	Q	97.8	Very high	96.1	Very high	12 Å²	12	31.2 Å²	31.2	6%	0.056	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	101.9	169.3	178.4	58.3	60.1	0	0	109.4	L534 V535 L536 V537 L583 V587	L534-Q561 HydrophobicContact CD1-CB 4.08Å; V535-Q561 PolarHBondContact O-N 3.1Å; L536-Q561 HydrophobicContact CD2-CB 3.77Å; L536-Q561 HydrophobicContact CD2-CG 4.14Å; V537-Q561 PolarHBondContact N-O 2.64Å; Q561-L583 HydrophobicContact CG-CD1 3.46Å; Q561-L583 VanDerWaalsContact CG-CD1 3.46Å; Q561-L583 HydrophobicContact CG-CG 4.25Å; Q561-V587 HydrophobicContact CB-CG2 4.38Å; Q561-V587 HydrophobicContact CG-CG2 4.07Å
562	C	98	Very high	96.1	Very high	15 Å²	15	31.7 Å²	31.7	10%	0.101	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	147.3	178.2	-51.7	0	0	0	0	110.7	V537 L539 Y545	V537-C562 CarbonylContact O-C 3.48Å; V537-C562 VanDerWaalsContact O-CA 3.23Å; V537-C562 WeakPolarHBondContact O-CA 3.42Å; L539-C562 HydrophobicContact CD1-CB 3.72Å; L539-C562 HydrophobicContact CD2-CB 4.46Å; L539-C562 HydrophobicContact CG-CB 4Å; Y545-C562 HydrophobicContact CD2-CB 3.97Å; Y545-C562 HydrophobicContact CE2-CB 4.18Å
563	F	97.3	Very high	96	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.044	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.3	172	60.4	-84.8	0	0	0	109.8	V480 F483 L536 V537 L539 V567 L568	V480-F563 HydrophobicContact CG1-CZ 4.49Å; F483-F563 HydrophobicContact CD1-CE1 4.02Å; F483-F563 AromaticContact CD1-CE2 3.96Å; F483-F563 HydrophobicContact CD1-CE2 3.96Å; F483-F563 AromaticContact CD1-CZ 3.65Å; F483-F563 HydrophobicContact CD1-CZ 3.65Å; F483-F563 AromaticContact CE1-CD1 3.68Å; F483-F563 HydrophobicContact CE1-CD1 3.68Å; F483-F563 AromaticContact CE1-CD2 3.96Å; F483-F563 HydrophobicContact CE1-CD2 3.96Å; F483-F563 AromaticContact CE1-CE1 3.5Å; F483-F563 HydrophobicContact CE1-CE1 3.5Å; F483-F563 VanDerWaalsContact CE1-CE1 3.5Å; F483-F563 AromaticContact CE1-CE2 3.78Å; F483-F563 HydrophobicContact CE1-CE2 3.78Å; F483-F563 AromaticContact CE1-CG 3.91Å; F483-F563 HydrophobicContact CE1-CG 3.91Å; F483-F563 AromaticContact CE1-CZ 3.53Å; F483-F563 HydrophobicContact CE1-CZ 3.53Å; F483-F563 HydrophobicContact CE2-CD2 4.3Å; F483-F563 HydrophobicContact CE2-CE2 4.47Å; F483-F563 HydrophobicContact CG-CE2 4.38Å; F483-F563 HydrophobicContact CG-CZ 4.44Å; F483-F563 HydrophobicContact CZ-CB 4.38Å; F483-F563 AromaticContact CZ-CD1 4Å; F483-F563 HydrophobicContact CZ-CD1 4Å; F483-F563 AromaticContact CZ-CD2 3.8Å; F483-F563 HydrophobicContact CZ-CD2 3.8Å; F483-F563 HydrophobicContact CZ-CE1 4.23Å; F483-F563 HydrophobicContact CZ-CE2 4.03Å; F483-F563 AromaticContact CZ-CG 3.78Å; F483-F563 HydrophobicContact CZ-CG 3.78Å; F483-F563 HydrophobicContact CZ-CZ 4.23Å; L536-F563 HydrophobicContact CB-CE1 3.99Å; V537-F563 WeakPolarHBondContact O-CD1 3.27Å; V537-F563 PolarHBondContact O-N 2.85Å; L539-F563 PolarHBondContact N-O 2.83Å; F563-V567 HydrophobicContact CB-CB 4.12Å; F563-V567 HydrophobicContact CB-CG1 4.05Å; F563-L568 HydrophobicContact CD2-CB 4.18Å; F563-L568 HydrophobicContact CE2-CB 3.96Å; F563-L568 HydrophobicContact CE2-CD1 4.07Å
564	M	94.9	Very high	96	Very high	61 Å²	61	41.7 Å²	41.7	30%	0.3	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	160.2	177.6	-70.8	-66.3	173.8	0	0	110.6	L539 T542 R566 V567 L568	L539-M564 HydrophobicContact CB-CE 4.04Å; L539-M564 HydrophobicContact CB-SD 3.79Å; L539-M564 HydrophobicContact CD1-CE 3.93Å; T542-M564 HydrophobicContact CG2-CE 3.55Å; M564-R566 PolarHBondContact O-N 3.07Å; M564-R566 VanDerWaalsContact O-N 3.09Å; M564-V567 WeakPolarHBondContact O-CA 3.44Å; M564-V567 WeakPolarHBondContact O-CB 3.37Å; M564-V567 PolarHBondContact O-N 3.47Å; M564-L568 PolarHBondContact O-N 2.95Å; M564-L568 VanDerWaalsContact O-N 3.15Å
565	Q	91.9	Very high	96	Very high	66 Å²	66	49.6 Å²	49.6	31%	0.308	22%	0.224	S	C	.	.	H	α-helix	trans	-50.6	-34.9	173	-69	-64.3	-18.4	0	0	113.5	S538 V567 L568 H569	S538-Q565 PolarHBondContact OG-NE2 3.1Å; Q565-V567 VanDerWaalsContact C-N 3.32Å; Q565-V567 PolarHBondContact O-N 2.96Å; Q565-L568 WeakPolarHBondContact O-CB 3.25Å; Q565-L568 PolarHBondContact O-N 3.43Å; Q565-H569 WeakPolarHBondContact O-CB 3.46Å; Q565-H569 PolarHBondContact O-N 2.83Å
566	R	92.8	Very high	96.1	Very high	173 Å²	173	46.9 Å²	46.9	65%	0.653	22%	0.217	S	C	*	.	H	α-helix	trans	-58.7	-41.5	172.9	-173.4	-177.4	69.1	81	-9.3	112.9	M564 H569 D570	M564-R566 PolarHBondContact O-N 3.07Å; M564-R566 VanDerWaalsContact O-N 3.09Å; R566-H569 PolarHBondContact O-N 3.38Å; R566-D570 IonicContact NH1-OD2 2.78Å; R566-D570 PolarHBondContact NH1-OD2 2.79Å; R566-D570 WeakPolarHBondContact O-CB 3.45Å; R566-D570 PolarHBondContact O-N 3.03Å
567	V	96.7	Very high	95.9	Very high	30 Å²	30	49.7 Å²	49.7	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-70.3	-38.8	179.7	178.4	0	0	0	0	110.2	F483 F563 M564 Q565 D570 V571 T579	F483-V567 HydrophobicContact CE2-CG1 4.26Å; F483-V567 HydrophobicContact CZ-CG1 4.4Å; F563-V567 HydrophobicContact CB-CB 4.12Å; F563-V567 HydrophobicContact CB-CG1 4.05Å; M564-V567 WeakPolarHBondContact O-CA 3.44Å; M564-V567 WeakPolarHBondContact O-CB 3.37Å; M564-V567 PolarHBondContact O-N 3.47Å; Q565-V567 VanDerWaalsContact C-N 3.32Å; Q565-V567 PolarHBondContact O-N 2.96Å; V567-D570 PolarHBondContact O-N 3.33Å; V567-V571 WeakPolarHBondContact O-CG2 3.35Å; V567-V571 PolarHBondContact O-N 2.81Å; V567-V571 VanDerWaalsContact O-N 3.1Å; V567-T579 HydrophobicContact CG1-CG2 3.8Å
568	L	95.7	Very high	95.8	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-52	172.1	177.9	154.5	0	0	0	110.6	Q479 V480 F483 F563 M564 Q565 D570 V571 V572	Q479-L568 HydrophobicContact CB-CD1 4.37Å; Q479-L568 HydrophobicContact CB-CD2 4.01Å; V480-L568 HydrophobicContact CG2-CD1 3.63Å; F483-L568 HydrophobicContact CB-CG 4.44Å; F483-L568 HydrophobicContact CD2-CB 4.33Å; F483-L568 HydrophobicContact CD2-CG 4.46Å; F563-L568 HydrophobicContact CD2-CB 4.18Å; F563-L568 HydrophobicContact CE2-CB 3.96Å; F563-L568 HydrophobicContact CE2-CD1 4.07Å; M564-L568 PolarHBondContact O-N 2.95Å; M564-L568 VanDerWaalsContact O-N 3.15Å; Q565-L568 WeakPolarHBondContact O-CB 3.25Å; Q565-L568 PolarHBondContact O-N 3.43Å; L568-D570 VanDerWaalsContact C-N 3.34Å; L568-D570 PolarHBondContact O-N 2.79Å; L568-V571 PolarHBondContact O-N 3Å; L568-V572 HydrophobicContact CG-CG2 4.5Å; L568-V572 WeakPolarHBondContact O-CB 3.48Å; L568-V572 PolarHBondContact O-N 2.82Å
569	H	95.2	Very high	95.8	Very high	79 Å²	79	54.9 Å²	54.9	37%	0.366	26%	0.263	S	S	.	.	H	α-helix	trans	-59	-43.5	177.6	179.8	-72.1	0	0	0	112.2	Q565 R566 V571 V573 K574	Q565-H569 WeakPolarHBondContact O-CB 3.46Å; Q565-H569 PolarHBondContact O-N 2.83Å; R566-H569 PolarHBondContact O-N 3.38Å; H569-V571 VanDerWaalsContact C-N 3.29Å; H569-V571 PolarHBondContact O-N 2.7Å; H569-V573 WeakPolarHBondContact O-CA 3.03Å; H569-V573 WeakPolarHBondContact O-CB 3.5Å; H569-V573 PolarHBondContact O-N 2.77Å; H569-K574 PolarHBondContact O-N 3.49Å
570	D	97.9	Very high	95.7	Very high	14 Å²	14	54.7 Å²	54.7	8%	0.075	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-36.2	178.9	-72.4	-22.4	0	0	0	111.8	R566 V567 L568 K574 R575 S576 T579	R566-D570 IonicContact NH1-OD2 2.78Å; R566-D570 PolarHBondContact NH1-OD2 2.79Å; R566-D570 WeakPolarHBondContact O-CB 3.45Å; R566-D570 PolarHBondContact O-N 3.03Å; V567-D570 PolarHBondContact O-N 3.33Å; L568-D570 VanDerWaalsContact C-N 3.34Å; L568-D570 PolarHBondContact O-N 2.79Å; D570-K574 CarbonylContact O-C 3.56Å; D570-K574 WeakPolarHBondContact O-CB 3.46Å; D570-K574 WeakPolarHBondContact OD1-CD 3.41Å; D570-K574 WeakPolarHBondContact OD1-CE 3.43Å; D570-K574 IonicContact OD1-NZ 3.93Å; D570-K574 PolarHBondContact OD1-NZ 3.03Å; D570-R575 PolarHBondContact O-N 2.8Å; D570-S576 WeakPolarHBondContact O-CB 3.45Å; D570-S576 PolarHBondContact O-N 3.29Å; D570-T579 HydrophobicContact CB-CG2 4.13Å
571	V	97.7	Very high	95.6	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-84.7	-41.8	-178.8	171.9	0	0	0	0	112.9	F483 N486 V487 V567 L568 H569 R575 T579 A580	F483-V571 HydrophobicContact CD2-CB 3.71Å; F483-V571 HydrophobicContact CD2-CG1 3.82Å; F483-V571 HydrophobicContact CD2-CG2 4.27Å; F483-V571 HydrophobicContact CE2-CB 3.77Å; F483-V571 HydrophobicContact CE2-CG1 4.1Å; F483-V571 HydrophobicContact CE2-CG2 3.78Å; N486-V571 HydrophobicContact CB-CG1 3.87Å; V487-V571 HydrophobicContact CG2-CG1 4.35Å; V567-V571 WeakPolarHBondContact O-CG2 3.35Å; V567-V571 PolarHBondContact O-N 2.81Å; V567-V571 VanDerWaalsContact O-N 3.1Å; L568-V571 PolarHBondContact O-N 3Å; H569-V571 VanDerWaalsContact C-N 3.29Å; H569-V571 PolarHBondContact O-N 2.7Å; V571-R575 VanDerWaalsContact O-CA 3.3Å; V571-R575 WeakPolarHBondContact O-CA 3.42Å; V571-T579 HydrophobicContact CG2-CG2 3.74Å; V571-A580 HydrophobicContact CG1-CB 4.37Å; V571-A580 HydrophobicContact CG2-CB 4.19Å
572	V	97	Very high	95.5	Very high	10 Å²	10	57.6 Å²	57.6	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-84.6	-54.2	-175.1	173.7	0	0	0	0	111	E482 F483 L568	E482-V572 HydrophobicContact CB-CG2 4.48Å; E482-V572 HydrophobicContact CG-CG1 4.28Å; E482-V572 WeakPolarHBondContact OE2-CG1 3.45Å; F483-V572 HydrophobicContact CB-CG2 3.64Å; F483-V572 HydrophobicContact CD2-CG2 4.31Å; L568-V572 HydrophobicContact CG-CG2 4.5Å; L568-V572 WeakPolarHBondContact O-CB 3.48Å; L568-V572 PolarHBondContact O-N 2.82Å
573	V	95.2	Very high	95.4	Very high	79 Å²	79	57.4 Å²	57.4	48%	0.479	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-50.3	-172.8	-176.2	0	0	0	0	110.9	H569 R575	H569-V573 WeakPolarHBondContact O-CA 3.03Å; H569-V573 WeakPolarHBondContact O-CB 3.5Å; H569-V573 PolarHBondContact O-N 2.77Å; V573-R575 VanDerWaalsContact C-N 3.28Å; V573-R575 PolarHBondContact O-N 2.85Å
574	K	96.9	Very high	95.4	Very high	131 Å²	131	56.9 Å²	56.9	57%	0.57	28%	0.275	S	S	*	.	S	Bend	trans	-82.8	-3.6	179	-57.5	-175.9	-173.8	156	0	113.8	H569 D570 S576	H569-K574 PolarHBondContact O-N 3.49Å; D570-K574 CarbonylContact O-C 3.56Å; D570-K574 WeakPolarHBondContact O-CB 3.46Å; D570-K574 WeakPolarHBondContact OD1-CD 3.41Å; D570-K574 WeakPolarHBondContact OD1-CE 3.43Å; D570-K574 IonicContact OD1-NZ 3.93Å; D570-K574 PolarHBondContact OD1-NZ 3.03Å; K574-S576 PolarHBondContact O-N 3.32Å; K574-S576 VanDerWaalsContact O-N 3.07Å
575	R	95.5	Very high	95.5	Very high	198 Å²	198	54.1 Å²	54.1	75%	0.747	26%	0.261	S	S	*	.			trans	49.4	36	-178.8	-60.3	-177	175.5	-179.4	-1.1	113.3	D570 V571 V573 V577	D570-R575 PolarHBondContact O-N 2.8Å; V571-R575 VanDerWaalsContact O-CA 3.3Å; V571-R575 WeakPolarHBondContact O-CA 3.42Å; V573-R575 VanDerWaalsContact C-N 3.28Å; V573-R575 PolarHBondContact O-N 2.85Å; R575-V577 PolarHBondContact O-N 2.56Å
576	S	95.6	Very high	95.7	Very high	35 Å²	35	53.8 Å²	53.8	25%	0.245	26%	0.258	C	S	.	.			trans	-72.5	96.5	-177.3	179.3	0	0	0	0	111.5	D570 K574 M578 T579 A580	D570-S576 WeakPolarHBondContact O-CB 3.45Å; D570-S576 PolarHBondContact O-N 3.29Å; K574-S576 PolarHBondContact O-N 3.32Å; K574-S576 VanDerWaalsContact O-N 3.07Å; S576-M578 PolarHBondContact O-N 2.78Å; S576-T579 PolarHBondContact O-N 3.48Å; S576-T579 VanDerWaalsContact O-N 3.17Å; S576-T579 PolarHBondContact OG-N 3.06Å; S576-T579 PolarHBondContact OG-OG1 2.95Å; S576-A580 PolarHBondContact O-N 3.27Å
577	V	92.2	Very high	95.9	Very high	96 Å²	96	45.5 Å²	45.5	58%	0.582	23%	0.227	S	C	*	.	H	α-helix	trans	-57	-41	173.5	-178.4	0	0	0	0	110.6	R575 T579 A580 T581	R575-V577 PolarHBondContact O-N 2.56Å; V577-T579 VanDerWaalsContact C-N 3.31Å; V577-T579 PolarHBondContact O-N 2.89Å; V577-A580 CarbonylContact O-C 3.58Å; V577-A580 WeakPolarHBondContact O-CB 3.42Å; V577-A580 PolarHBondContact O-N 2.63Å; V577-A580 VanDerWaalsContact O-N 3.1Å; V577-T581 PolarHBondContact O-N 3.01Å; V577-T581 PolarHBondContact O-OG1 2.87Å
578	M	92.3	Very high	95.9	Very high	97 Å²	97	44.1 Å²	44.1	48%	0.478	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-39.5	178.7	-177.3	60	70.4	0	0	112.5	S576 T581 N582 M798	S576-M578 PolarHBondContact O-N 2.78Å; M578-T581 PolarHBondContact O-N 2.57Å; M578-N582 WeakPolarHBondContact O-CB 3.36Å; M578-N582 PolarHBondContact O-N 3.15Å; M578-N582 PolarHBondContact O-ND2 3.41Å; M578-M798 HydrophobicContact CE-CE 4.19Å; M578-M798 HydrophobicContact SD-CE 3.75Å
579	T	95.6	Very high	95.8	Very high	32 Å²	32	44.3 Å²	44.3	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-42.9	176.2	-59.4	0	0	0	0	110.8	V567 D570 V571 S576 V577 N582 L583	V567-T579 HydrophobicContact CG1-CG2 3.8Å; D570-T579 HydrophobicContact CB-CG2 4.13Å; V571-T579 HydrophobicContact CG2-CG2 3.74Å; S576-T579 PolarHBondContact O-N 3.48Å; S576-T579 VanDerWaalsContact O-N 3.17Å; S576-T579 PolarHBondContact OG-N 3.06Å; S576-T579 PolarHBondContact OG-OG1 2.95Å; V577-T579 VanDerWaalsContact C-N 3.31Å; V577-T579 PolarHBondContact O-N 2.89Å; T579-N582 PolarHBondContact O-N 2.59Å; T579-L583 PolarHBondContact O-N 3.07Å; T579-L583 VanDerWaalsContact O-N 3.13Å
580	A	96.2	Very high	95.7	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-42.2	175.7	0	0	0	0	0	112.2	V490 V571 S576 V577 N582 L583 A584	V490-A580 HydrophobicContact CB-CB 4.23Å; V490-A580 HydrophobicContact CG1-CB 4.3Å; V490-A580 HydrophobicContact CG2-CB 3.86Å; V571-A580 HydrophobicContact CG1-CB 4.37Å; V571-A580 HydrophobicContact CG2-CB 4.19Å; S576-A580 PolarHBondContact O-N 3.27Å; V577-A580 CarbonylContact O-C 3.58Å; V577-A580 WeakPolarHBondContact O-CB 3.42Å; V577-A580 PolarHBondContact O-N 2.63Å; V577-A580 VanDerWaalsContact O-N 3.1Å; A580-N582 PolarHBondContact O-N 3.45Å; A580-L583 WeakPolarHBondContact O-CB 3.1Å; A580-L583 PolarHBondContact O-N 3.02Å; A580-L583 VanDerWaalsContact O-N 3.12Å; A580-A584 WeakPolarHBondContact O-CB 3.35Å; A580-A584 PolarHBondContact O-N 3.35Å
581	T	95.8	Very high	95.6	Very high	19 Å²	19	41.5 Å²	41.5	12%	0.117	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-44.1	174.5	-57.5	0	0	0	0	111.8	M452 L494 V577 M578 L583 A584 L585 M798	M452-T581 HydrophobicContact CE-CG2 3.53Å; L494-T581 HydrophobicContact CD1-CG2 4.05Å; V577-T581 PolarHBondContact O-N 3.01Å; V577-T581 PolarHBondContact O-OG1 2.87Å; M578-T581 PolarHBondContact O-N 2.57Å; T581-L583 PolarHBondContact O-N 2.96Å; T581-A584 WeakPolarHBondContact O-CB 3.21Å; T581-A584 PolarHBondContact O-N 3.4Å; T581-A584 VanDerWaalsContact O-N 3.17Å; T581-L585 WeakPolarHBondContact O-CG 3.12Å; T581-L585 PolarHBondContact O-N 2.91Å; T581-M798 HydrophobicContact CG2-CE 4.42Å
582	N	94.9	Very high	95.1	Very high	54 Å²	54	43.7 Å²	43.7	29%	0.289	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-29.5	176.1	-75.9	-44.6	0	0	0	112.9	M578 T579 A580	M578-N582 WeakPolarHBondContact O-CB 3.36Å; M578-N582 PolarHBondContact O-N 3.15Å; M578-N582 PolarHBondContact O-ND2 3.41Å; T579-N582 PolarHBondContact O-N 2.59Å; A580-N582 PolarHBondContact O-N 3.45Å
583	L	96.5	Very high	95	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-74	-43.8	171.7	-167.5	62.8	0	0	0	111.3	F483 V487 Q561 T579 A580 T581 L585 K586 V587	F483-L583 HydrophobicContact CE1-CD2 4.05Å; F483-L583 HydrophobicContact CE2-CD2 4.5Å; F483-L583 HydrophobicContact CZ-CD2 3.52Å; V487-L583 HydrophobicContact CG1-CD2 3.92Å; V487-L583 HydrophobicContact CG1-CG 4.44Å; V487-L583 HydrophobicContact CG2-CD2 3.76Å; Q561-L583 HydrophobicContact CG-CD1 3.46Å; Q561-L583 VanDerWaalsContact CG-CD1 3.46Å; Q561-L583 HydrophobicContact CG-CG 4.25Å; T579-L583 PolarHBondContact O-N 3.07Å; T579-L583 VanDerWaalsContact O-N 3.13Å; A580-L583 WeakPolarHBondContact O-CB 3.1Å; A580-L583 PolarHBondContact O-N 3.02Å; A580-L583 VanDerWaalsContact O-N 3.12Å; T581-L583 PolarHBondContact O-N 2.96Å; L583-L585 VanDerWaalsContact C-N 3.28Å; L583-L585 PolarHBondContact O-N 3.37Å; L583-K586 WeakPolarHBondContact O-CB 3.4Å; L583-K586 PolarHBondContact O-N 2.88Å; L583-V587 HydrophobicContact CG-CG2 4.45Å; L583-V587 WeakPolarHBondContact O-CG2 3.35Å; L583-V587 PolarHBondContact O-N 3.26Å
584	A	97.4	Very high	94.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.8	-38.8	176.8	0	0	0	0	0	112.1	F457 V490 C491 L494 A580 T581 K586 V587 N588	F457-A584 HydrophobicContact CE2-CB 4.32Å; F457-A584 HydrophobicContact CZ-CB 4.16Å; V490-A584 HydrophobicContact CG1-CB 4.22Å; C491-A584 VanDerWaalsContact SG-CB 3.59Å; L494-A584 HydrophobicContact CD1-CB 3.91Å; A580-A584 WeakPolarHBondContact O-CB 3.35Å; A580-A584 PolarHBondContact O-N 3.35Å; T581-A584 WeakPolarHBondContact O-CB 3.21Å; T581-A584 PolarHBondContact O-N 3.4Å; T581-A584 VanDerWaalsContact O-N 3.17Å; A584-K586 VanDerWaalsContact C-N 3.29Å; A584-K586 PolarHBondContact O-N 2.87Å; A584-V587 PolarHBondContact O-N 3.15Å; A584-N588 WeakPolarHBondContact O-CB 3.48Å; A584-N588 PolarHBondContact O-N 3.38Å
585	L	97	Very high	94.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-53.5	-45.9	172.2	-75.7	171.5	0	0	0	111.8	M452 F457 T581 L583 M589 N595 M798	M452-L585 HydrophobicContact CE-CD2 4.03Å; M452-L585 HydrophobicContact CE-CG 4.44Å; M452-L585 HydrophobicContact SD-CD2 4.28Å; F457-L585 HydrophobicContact CD1-CD2 4.34Å; F457-L585 HydrophobicContact CE1-CD2 3.43Å; F457-L585 VanDerWaalsContact CE1-CD2 3.43Å; F457-L585 HydrophobicContact CE1-CG 4.2Å; F457-L585 HydrophobicContact CZ-CD2 3.99Å; F457-L585 HydrophobicContact CZ-CG 4.31Å; T581-L585 WeakPolarHBondContact O-CG 3.12Å; T581-L585 PolarHBondContact O-N 2.91Å; L583-L585 VanDerWaalsContact C-N 3.28Å; L583-L585 PolarHBondContact O-N 3.37Å; L585-M589 WeakPolarHBondContact O-CE 3.24Å; L585-M589 PolarHBondContact O-N 3.46Å; L585-N595 WeakPolarHBondContact CA-ND2 3.31Å; L585-N595 HydrophobicContact CD2-CB 4.01Å; L585-N595 VanDerWaalsContact CD2-ND2 3.31Å; L585-N595 WeakPolarHBondContact CD2-ND2 3.39Å; L585-N595 PolarHBondContact O-ND2 3.31Å; L585-M798 HydrophobicContact CD1-CG 4.41Å
586	K	95.8	Very high	94.6	Very high	59 Å²	59	25.1 Å²	25.1	26%	0.257	15%	0.15	S	C	.	.	H	α-helix	trans	-72.2	-42.4	179.8	-61.9	173.3	-171	170.5	0	111.8	L583 A584 K590	L583-K586 WeakPolarHBondContact O-CB 3.4Å; L583-K586 PolarHBondContact O-N 2.88Å; A584-K586 VanDerWaalsContact C-N 3.29Å; A584-K586 PolarHBondContact O-N 2.87Å; K586-K590 WeakPolarHBondContact O-CB 3.37Å; K586-K590 WeakPolarHBondContact O-CG 3.39Å; K586-K590 PolarHBondContact O-N 3.18Å; K586-K590 VanDerWaalsContact O-N 3.1Å
587	V	97.3	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-48.8	178.5	170.6	0	0	0	0	110.2	M498 L534 Q561 L583 A584 M589 K590 M591	M498-V587 HydrophobicContact SD-CG1 4.4Å; L534-V587 HydrophobicContact CD2-CG1 3.81Å; L534-V587 HydrophobicContact CD2-CG2 4.22Å; Q561-V587 HydrophobicContact CB-CG2 4.38Å; Q561-V587 HydrophobicContact CG-CG2 4.07Å; L583-V587 HydrophobicContact CG-CG2 4.45Å; L583-V587 WeakPolarHBondContact O-CG2 3.35Å; L583-V587 PolarHBondContact O-N 3.26Å; A584-V587 PolarHBondContact O-N 3.15Å; V587-M589 PolarHBondContact O-N 3.09Å; V587-K590 WeakPolarHBondContact O-CB 3.37Å; V587-K590 PolarHBondContact O-N 3.38Å; V587-K590 VanDerWaalsContact O-N 3.14Å; V587-M591 HydrophobicContact CG1-CG 4.18Å; V587-M591 WeakPolarHBondContact O-CB 3.14Å; V587-M591 VanDerWaalsContact O-CG 3.26Å; V587-M591 WeakPolarHBondContact O-CG 3.36Å; V587-M591 PolarHBondContact O-N 2.82Å
588	N	96.8	Very high	94.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.2	-47.7	-177.6	-170.7	45.7	0	0	0	112.1	F457 Q459 G460 G461 V496 A584 K590 M591 G592 G593 N595	F457-N588 HydrophobicContact CD2-CB 3.65Å; F457-N588 VanDerWaalsContact CD2-CG 3.41Å; F457-N588 VanDerWaalsContact CD2-ND2 3.28Å; F457-N588 WeakPolarHBondContact CD2-ND2 3.32Å; F457-N588 HydrophobicContact CE2-CB 3.57Å; F457-N588 WeakPolarHBondContact CG-ND2 3.22Å; F457-N588 HydrophobicContact CZ-CB 4.38Å; Q459-N588 PolarHBondContact O-ND2 3.26Å; G460-N588 WeakPolarHBondContact CA-OD1 3.49Å; G461-N588 PolarHBondContact N-OD1 3.41Å; V496-N588 HydrophobicContact CG2-CB 3.95Å; V496-N588 WeakPolarHBondContact CG2-OD1 3.35Å; A584-N588 WeakPolarHBondContact O-CB 3.48Å; A584-N588 PolarHBondContact O-N 3.38Å; N588-K590 PolarHBondContact O-N 3.08Å; N588-M591 CarbonylContact O-C 3.48Å; N588-M591 WeakPolarHBondContact O-CA 3.25Å; N588-M591 PolarHBondContact O-N 2.74Å; N588-G592 PolarHBondContact O-N 3.2Å; N588-G593 WeakPolarHBondContact O-CA 3.47Å; N588-G593 PolarHBondContact O-N 3.35Å; N588-N595 VanDerWaalsContact CB-OD1 3.3Å; N588-N595 WeakPolarHBondContact CB-OD1 3.35Å; N588-N595 PolarHBondContact ND2-OD1 3.31Å
589	M	93.6	Very high	94.6	Very high	7 Å²	7	19.9 Å²	19.9	3%	0.034	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-42.2	176.1	-78.4	-173.2	-72.8	0	0	113.2	L585 V587 M591 G592 G795 R796 M860 V863	L585-M589 WeakPolarHBondContact O-CE 3.24Å; L585-M589 PolarHBondContact O-N 3.46Å; V587-M589 PolarHBondContact O-N 3.09Å; M589-M591 PolarHBondContact O-N 2.99Å; M589-G592 PolarHBondContact O-N 3.24Å; M589-G795 WeakPolarHBondContact CE-O 3.44Å; M589-R796 HydrophobicContact CE-CB 4.18Å; M589-R796 HydrophobicContact CE-CG 3.52Å; M589-M860 HydrophobicContact CB-CE 3.58Å; M589-M860 HydrophobicContact CG-CE 3.72Å; M589-M860 HydrophobicContact SD-CE 4.25Å; M589-V863 HydrophobicContact CB-CG1 4.27Å; M589-V863 HydrophobicContact CE-CG1 3.57Å; M589-V863 HydrophobicContact SD-CG1 4.23Å
590	K	93.3	Very high	94.4	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.022	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-33.7	174.9	-80.6	177.6	174.1	171.4	0	112.7	M559 T560 K586 V587 N588 G592 V863	M559-K590 HydrophobicContact CE-CB 4.16Å; M559-K590 HydrophobicContact CE-CG 4.43Å; M559-K590 WeakPolarHBondContact CE-O 3.23Å; M559-K590 HydrophobicContact CG-CB 3.71Å; M559-K590 HydrophobicContact CG-CD 3.97Å; M559-K590 HydrophobicContact CG-CG 4.14Å; M559-K590 HydrophobicContact SD-CB 3.65Å; M559-K590 HydrophobicContact SD-CD 3.66Å; M559-K590 HydrophobicContact SD-CG 3.55Å; M559-K590 VanDerWaalsContact SD-CG 3.55Å; T560-K590 PolarHBondContact O-NZ 3.37Å; K586-K590 WeakPolarHBondContact O-CB 3.37Å; K586-K590 WeakPolarHBondContact O-CG 3.39Å; K586-K590 PolarHBondContact O-N 3.18Å; K586-K590 VanDerWaalsContact O-N 3.1Å; V587-K590 WeakPolarHBondContact O-CB 3.37Å; V587-K590 PolarHBondContact O-N 3.38Å; V587-K590 VanDerWaalsContact O-N 3.14Å; N588-K590 PolarHBondContact O-N 3.08Å; K590-G592 PolarHBondContact O-N 2.92Å; K590-V863 WeakPolarHBondContact CE-O 3.48Å; K590-V863 PolarHBondContact NZ-O 3.31Å
591	M	94.2	Very high	94.3	Very high	30 Å²	30	21.3 Å²	21.3	15%	0.148	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	15.2	179.3	-61.2	-45.6	-48.1	0	0	113.8	G461 K462 C463 R533 L534 M559 V587 N588 M589 G593	G461-M591 WeakPolarHBondContact CA-O 3.4Å; K462-M591 WeakPolarHBondContact O-CE 3.21Å; C463-M591 HydrophobicContact CB-CE 4.25Å; C463-M591 HydrophobicContact CB-CG 3.95Å; C463-M591 HydrophobicContact CB-SD 4.44Å; R533-M591 HydrophobicContact CB-CE 3.64Å; R533-M591 HydrophobicContact CG-CE 4.41Å; L534-M591 HydrophobicContact CB-SD 4.2Å; M559-M591 HydrophobicContact CG-SD 4.36Å; V587-M591 HydrophobicContact CG1-CG 4.18Å; V587-M591 WeakPolarHBondContact O-CB 3.14Å; V587-M591 VanDerWaalsContact O-CG 3.26Å; V587-M591 WeakPolarHBondContact O-CG 3.36Å; V587-M591 PolarHBondContact O-N 2.82Å; N588-M591 CarbonylContact O-C 3.48Å; N588-M591 WeakPolarHBondContact O-CA 3.25Å; N588-M591 PolarHBondContact O-N 2.74Å; M589-M591 PolarHBondContact O-N 2.99Å; M591-G593 VanDerWaalsContact C-N 3.26Å; M591-G593 PolarHBondContact O-N 3.23Å
592	G	88.8	Confident	94.3	Very high	50 Å²	50	25.6 Å²	25.6	52%	0.515	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	10.2	178.1	0	0	0	0	0	114.2	N588 M589 K590	N588-G592 PolarHBondContact O-N 3.2Å; M589-G592 PolarHBondContact O-N 3.24Å; K590-G592 PolarHBondContact O-N 2.92Å
593	G	93.3	Very high	94.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	15%	0.147	C	C	.	.			trans	-78.1	164.4	172.7	0	0	0	0	0	112.7	Q459 N588 M591	Q459-G593 CarbonylContact O-C 3.59Å; Q459-G593 WeakPolarHBondContact O-CA 3.07Å; N588-G593 WeakPolarHBondContact O-CA 3.47Å; N588-G593 PolarHBondContact O-N 3.35Å; M591-G593 VanDerWaalsContact C-N 3.26Å; M591-G593 PolarHBondContact O-N 3.23Å
594	V	92.6	Very high	94.1	Very high	14 Å²	14	25 Å²	25	9%	0.085	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-119.9	115.2	177.3	-179.3	0	0	0	0	107.5	F458 Q459 T596 N643	F458-V594 HydrophobicContact CB-CG1 4.49Å; F458-V594 HydrophobicContact CD1-CB 4.26Å; F458-V594 HydrophobicContact CD1-CG1 4.13Å; F458-V594 PolarHBondContact N-O 3.17Å; Q459-V594 HydrophobicContact CB-CB 4.01Å; Q459-V594 HydrophobicContact CB-CG2 4.39Å; Q459-V594 PolarHBondContact N-O 2.84Å; Q459-V594 PolarHBondContact O-N 2.9Å; V594-T596 WeakPolarHBondContact CG1-O 3.42Å; V594-N643 HydrophobicContact CG1-CB 3.88Å
595	N	94.7	Very high	93.9	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.027	17%	0.165	C	C	.	.	S	Bend	trans	-70.2	-47.5	-177.1	-67.1	-14.2	0	0	0	111.7	Y434 F457 F458 L585 N588 G795	Y434-N595 WeakPolarHBondContact CD1-O 3.47Å; Y434-N595 WeakPolarHBondContact CE1-O 2.86Å; F457-N595 WeakPolarHBondContact CA-O 3.34Å; F457-N595 HydrophobicContact CD1-CB 3.92Å; F457-N595 HydrophobicContact CE1-CB 4.3Å; F458-N595 PolarHBondContact N-O 3.1Å; L585-N595 WeakPolarHBondContact CA-ND2 3.31Å; L585-N595 HydrophobicContact CD2-CB 4.01Å; L585-N595 VanDerWaalsContact CD2-ND2 3.31Å; L585-N595 WeakPolarHBondContact CD2-ND2 3.39Å; L585-N595 PolarHBondContact O-ND2 3.31Å; N588-N595 VanDerWaalsContact CB-OD1 3.3Å; N588-N595 WeakPolarHBondContact CB-OD1 3.35Å; N588-N595 PolarHBondContact ND2-OD1 3.31Å; N595-G795 PolarHBondContact ND2-O 2.88Å
596	T	93.4	Very high	93.8	Very high	8 Å²	8	31.7 Å²	31.7	5%	0.049	18%	0.183	C	C	.	.			trans	-146.7	153.9	-175.4	-174	0	0	0	0	109.6	Y434 V594	Y434-T596 WeakPolarHBondContact CE2-OG1 3.02Å; V594-T596 WeakPolarHBondContact CG1-O 3.42Å
597	R	91.7	Very high	93.6	Very high	74 Å²	74	29.9 Å²	29.9	28%	0.279	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	153.8	173.1	156.3	166.2	125.3	160.4	-0.6	110.8	L432 E433 F458 N643	L432-R597 CarbonylContact C-O 3.52Å; L432-R597 WeakPolarHBondContact CA-O 3.25Å; E433-R597 HydrophobicContact CB-CB 4.35Å; E433-R597 HydrophobicContact CB-CG 4.41Å; E433-R597 PolarHBondContact N-O 3.29Å; E433-R597 PolarHBondContact O-N 3.46Å; E433-R597 VanDerWaalsContact O-N 3.16Å; E433-R597 IonicContact OE2-CZ 2.67Å; E433-R597 IonicContact OE2-NE 3.59Å; E433-R597 PolarHBondContact OE2-NE 3.17Å; E433-R597 IonicContact OE2-NH2 4Å; E433-R597 PolarHBondContact OE2-NH2 3.06Å; F458-R597 HydrophobicContact CD1-CB 4.45Å; F458-R597 HydrophobicContact CD2-CB 4.33Å; F458-R597 HydrophobicContact CG-CB 4.29Å; R597-N643 VanDerWaalsContact CA-OD1 3.27Å; R597-N643 WeakPolarHBondContact CA-OD1 3.46Å; R597-N643 HydrophobicContact CB-CB 4.48Å; R597-N643 WeakPolarHBondContact CB-ND2 3.47Å; R597-N643 WeakPolarHBondContact CD-ND2 3.39Å; R597-N643 WeakPolarHBondContact CG-ND2 3.45Å
598	L	94.2	Very high	93.2	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	130.2	163.9	-61.6	174.4	0	0	0	109.6	P430 L432 A600 V604 L608 V642 N643 Y789 I793	P430-L598 HydrophobicContact CB-CD2 3.68Å; P430-L598 HydrophobicContact CG-CD2 3.87Å; L432-L598 HydrophobicContact CD2-CD2 4Å; L598-A600 PolarHBondContact O-N 3.1Å; L598-V604 HydrophobicContact CB-CG1 4.42Å; L598-V604 HydrophobicContact CB-CG2 4.17Å; L598-V604 HydrophobicContact CD1-CG2 4.45Å; L598-L608 HydrophobicContact CD1-CD1 4.08Å; L598-V642 HydrophobicContact CB-CG1 4.45Å; L598-V642 HydrophobicContact CD1-CG1 4.41Å; L598-N643 PolarHBondContact N-OD1 3.01Å; L598-Y789 HydrophobicContact CD1-CD1 4.37Å; L598-Y789 HydrophobicContact CD2-CD1 4.5Å; L598-I793 HydrophobicContact CD1-CG2 4.46Å; L598-I793 HydrophobicContact CD2-CG2 3.89Å; L598-I793 HydrophobicContact CG-CG2 3.74Å
599	L	94.5	Very high	92.8	Very high	42 Å²	42	32.4 Å²	32.4	22%	0.22	19%	0.191	C	C	.	.			trans	-56	134.4	171.6	-176.9	67.8	0	0	0	109.1	K431 V442 D601 V604	K431-L599 HydrophobicContact CB-CB 3.85Å; K431-L599 HydrophobicContact CB-CD2 3.73Å; K431-L599 HydrophobicContact CB-CG 4.45Å; K431-L599 HydrophobicContact CD-CD2 3.91Å; K431-L599 HydrophobicContact CG-CD2 4.34Å; K431-L599 WeakPolarHBondContact O-CB 3.45Å; K431-L599 PolarHBondContact O-N 3.37Å; V442-L599 HydrophobicContact CG1-CD2 4.27Å; V442-L599 HydrophobicContact CG2-CD1 4.05Å; V442-L599 HydrophobicContact CG2-CD2 4.39Å; L599-D601 PolarHBondContact O-N 2.79Å; L599-V604 WeakPolarHBondContact O-CG2 3.44Å
600	A	90.6	Very high	92.4	Very high	31 Å²	31	37.5 Å²	37.5	26%	0.256	22%	0.218	S	C	.	.			trans	-76.4	61.2	178	0	0	0	0	0	111.3	L598 K605	L598-A600 PolarHBondContact O-N 3.1Å; A600-K605 HydrophobicContact CB-CG 4.27Å; A600-K605 WeakPolarHBondContact O-CE 3.36Å
601	D	93.4	Very high	92	Very high	34 Å²	34	41.4 Å²	41.4	18%	0.182	24%	0.235	C	C	.	.			trans	-70.8	170.7	171.3	72	22.5	0	0	0	111	L599 F603 V604 K605	L599-D601 PolarHBondContact O-N 2.79Å; D601-F603 PolarHBondContact O-N 3.31Å; D601-F603 WeakPolarHBondContact OD1-CA 3.48Å; D601-F603 WeakPolarHBondContact OD1-CB 3.41Å; D601-F603 PolarHBondContact OD1-N 3.13Å; D601-V604 PolarHBondContact O-N 3.42Å; D601-V604 WeakPolarHBondContact OD1-CG2 3.3Å; D601-V604 PolarHBondContact OD1-N 3.48Å; D601-K605 WeakPolarHBondContact O-CB 3.45Å; D601-K605 WeakPolarHBondContact O-CG 3.27Å; D601-K605 PolarHBondContact O-N 3.01Å
602	P	95.5	Very high	91.6	Very high	110 Å²	110	42 Å²	42	71%	0.714	24%	0.239	S	C	*	.	H	α-helix	trans	-55.7	-33.3	-179.7	-28.3	36.9	0	0	0	114.2	A606	P602-A606 VanDerWaalsContact O-CB 3.31Å; P602-A606 WeakPolarHBondContact O-CB 3.47Å; P602-A606 PolarHBondContact O-N 2.85Å
603	F	95	Very high	91.7	Very high	48 Å²	48	39.8 Å²	39.8	21%	0.211	22%	0.215	C	C	.	.	H	α-helix	trans	-70.6	-49.9	179.7	177	-88.9	0	0	0	111.6	D601 K605 N607 T782 A785 I786 Y789	D601-F603 PolarHBondContact O-N 3.31Å; D601-F603 WeakPolarHBondContact OD1-CA 3.48Å; D601-F603 WeakPolarHBondContact OD1-CB 3.41Å; D601-F603 PolarHBondContact OD1-N 3.13Å; F603-K605 PolarHBondContact O-N 3.36Å; F603-N607 WeakPolarHBondContact CD2-ND2 3.1Å; F603-N607 WeakPolarHBondContact CE2-ND2 3.47Å; F603-N607 VanDerWaalsContact O-CB 3.32Å; F603-N607 WeakPolarHBondContact O-CB 3.45Å; F603-N607 PolarHBondContact O-N 3.12Å; F603-N607 VanDerWaalsContact O-N 3.08Å; F603-N607 PolarHBondContact O-ND2 3.33Å; F603-T782 HydrophobicContact CE2-CG2 4.37Å; F603-T782 HydrophobicContact CZ-CG2 4.43Å; F603-A785 HydrophobicContact CE1-CB 3.92Å; F603-A785 HydrophobicContact CE2-CB 3.85Å; F603-A785 HydrophobicContact CZ-CB 3.35Å; F603-I786 HydrophobicContact CE1-CG1 4.2Å; F603-I786 HydrophobicContact CZ-CG1 4.01Å; F603-Y789 HydrophobicContact CD1-CD1 4.01Å; F603-Y789 AromaticContact CD1-CE1 3.61Å; F603-Y789 HydrophobicContact CD1-CE1 3.61Å; F603-Y789 HydrophobicContact CE1-CD1 4.11Å; F603-Y789 HydrophobicContact CE1-CE1 4.1Å
604	V	93.7	Very high	91.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-39.6	176.7	172.5	0	0	0	0	109.9	L598 L599 D601 L608 T609 Y789	L598-V604 HydrophobicContact CB-CG1 4.42Å; L598-V604 HydrophobicContact CB-CG2 4.17Å; L598-V604 HydrophobicContact CD1-CG2 4.45Å; L599-V604 WeakPolarHBondContact O-CG2 3.44Å; D601-V604 PolarHBondContact O-N 3.42Å; D601-V604 WeakPolarHBondContact OD1-CG2 3.3Å; D601-V604 PolarHBondContact OD1-N 3.48Å; V604-L608 HydrophobicContact CG1-CB 4.46Å; V604-L608 HydrophobicContact CG1-CD1 4.37Å; V604-L608 WeakPolarHBondContact O-CA 3.49Å; V604-L608 WeakPolarHBondContact O-CB 3.08Å; V604-L608 PolarHBondContact O-N 3.42Å; V604-T609 PolarHBondContact O-N 2.99Å; V604-T609 VanDerWaalsContact O-N 3.11Å; V604-Y789 HydrophobicContact CG2-CD1 3.84Å; V604-Y789 HydrophobicContact CG2-CE1 3.85Å
605	K	93.3	Very high	91.7	Very high	97 Å²	97	39.2 Å²	39.2	42%	0.422	21%	0.212	S	C	.	.	I	π-helix	trans	-60	-60.1	176.6	-78.8	-179.8	173.5	178.4	0	112.6	A600 D601 F603 N607 T609 D610	A600-K605 HydrophobicContact CB-CG 4.27Å; A600-K605 WeakPolarHBondContact O-CE 3.36Å; D601-K605 WeakPolarHBondContact O-CB 3.45Å; D601-K605 WeakPolarHBondContact O-CG 3.27Å; D601-K605 PolarHBondContact O-N 3.01Å; F603-K605 PolarHBondContact O-N 3.36Å; K605-N607 VanDerWaalsContact C-N 3.27Å; K605-N607 PolarHBondContact O-N 3.19Å; K605-T609 VanDerWaalsContact CA-OG1 3.25Å; K605-T609 WeakPolarHBondContact CA-OG1 3.39Å; K605-T609 PolarHBondContact O-N 2.88Å; K605-T609 PolarHBondContact O-OG1 3.3Å; K605-D610 VanDerWaalsContact O-CB 3.27Å; K605-D610 WeakPolarHBondContact O-CB 3.4Å; K605-D610 PolarHBondContact O-N 2.7Å
606	A	93.2	Very high	91.6	Very high	46 Å²	46	39 Å²	39	38%	0.38	21%	0.211	S	C	.	.	I	π-helix	trans	-63.2	-30.4	-176.1	0	0	0	0	0	114.1	P602 K611	P602-A606 VanDerWaalsContact O-CB 3.31Å; P602-A606 WeakPolarHBondContact O-CB 3.47Å; P602-A606 PolarHBondContact O-N 2.85Å; A606-K611 WeakPolarHBondContact O-CE 3.47Å
607	N	92.3	Very high	91.6	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.118	21%	0.208	C	C	.	.	I	π-helix	trans	-106.5	-24	-170.3	-66.8	-63.8	0	0	0	115.2	F603 K605 T613 R667 T782 I786	F603-N607 WeakPolarHBondContact CD2-ND2 3.1Å; F603-N607 WeakPolarHBondContact CE2-ND2 3.47Å; F603-N607 VanDerWaalsContact O-CB 3.32Å; F603-N607 WeakPolarHBondContact O-CB 3.45Å; F603-N607 PolarHBondContact O-N 3.12Å; F603-N607 VanDerWaalsContact O-N 3.08Å; F603-N607 PolarHBondContact O-ND2 3.33Å; K605-N607 VanDerWaalsContact C-N 3.27Å; K605-N607 PolarHBondContact O-N 3.19Å; N607-T613 PolarHBondContact O-OG1 3.41Å; N607-R667 PolarHBondContact O-NH1 3.38Å; N607-T782 HydrophobicContact CB-CG2 4.46Å; N607-T782 VanDerWaalsContact OD1-CG2 3.25Å; N607-T782 WeakPolarHBondContact OD1-CG2 3.36Å; N607-I786 HydrophobicContact CB-CD1 4.18Å; N607-I786 HydrophobicContact CB-CG1 4.46Å
608	L	90	Very high	91.7	Very high	12 Å²	12	36 Å²	36	6%	0.063	20%	0.2	C	C	.	.	I	π-helix	trans	-121.5	-53.8	-175.5	-60	174.6	0	0	0	112.6	L598 V604 T613 V615 I786	L598-L608 HydrophobicContact CD1-CD1 4.08Å; V604-L608 HydrophobicContact CG1-CB 4.46Å; V604-L608 HydrophobicContact CG1-CD1 4.37Å; V604-L608 WeakPolarHBondContact O-CA 3.49Å; V604-L608 WeakPolarHBondContact O-CB 3.08Å; V604-L608 PolarHBondContact O-N 3.42Å; L608-T613 HydrophobicContact CD2-CG2 4.28Å; L608-T613 VanDerWaalsContact O-CB 3.23Å; L608-T613 WeakPolarHBondContact O-CB 3.43Å; L608-T613 PolarHBondContact O-N 3.16Å; L608-T613 PolarHBondContact O-OG1 2.84Å; L608-V615 HydrophobicContact CD2-CG2 4.23Å; L608-I786 HydrophobicContact CD2-CG1 4.45Å; L608-I786 HydrophobicContact CD2-CG2 4.36Å
609	T	86.6	Confident	91.5	Very high	41 Å²	41	36 Å²	36	25%	0.252	20%	0.201	S	C	.	.	I	π-helix	trans	-82	-52.8	-174.2	57.1	0	0	0	0	113.8	V604 K605 K611 D612 V642	V604-T609 PolarHBondContact O-N 2.99Å; V604-T609 VanDerWaalsContact O-N 3.11Å; K605-T609 VanDerWaalsContact CA-OG1 3.25Å; K605-T609 WeakPolarHBondContact CA-OG1 3.39Å; K605-T609 PolarHBondContact O-N 2.88Å; K605-T609 PolarHBondContact O-OG1 3.3Å; T609-K611 PolarHBondContact O-N 3.08Å; T609-K611 VanDerWaalsContact O-N 3.13Å; T609-D612 PolarHBondContact O-N 3.34Å; T609-V642 HydrophobicContact CG2-CG2 3.17Å
610	D	86.8	Confident	91	Very high	113 Å²	113	35.5 Å²	35.5	60%	0.604	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.5	-165.8	-60.1	-2.9	0	0	0	111.9	K605	K605-D610 VanDerWaalsContact O-CB 3.27Å; K605-D610 WeakPolarHBondContact O-CB 3.4Å; K605-D610 PolarHBondContact O-N 2.7Å
611	K	83.6	Confident	90.4	Very high	88 Å²	88	35.1 Å²	35.1	38%	0.383	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	8.2	174	-64.4	-172.2	177	-174	0	113.3	A606 T609 T613 S666 R667	A606-K611 WeakPolarHBondContact O-CE 3.47Å; T609-K611 PolarHBondContact O-N 3.08Å; T609-K611 VanDerWaalsContact O-N 3.13Å; K611-T613 VanDerWaalsContact C-N 3.33Å; K611-T613 PolarHBondContact O-N 3.13Å; K611-S666 WeakPolarHBondContact O-CB 3.19Å; K611-S666 PolarHBondContact O-OG 2.78Å; K611-R667 VanDerWaalsContact CD-CZ 3.43Å; K611-R667 VanDerWaalsContact NZ-NH2 3.16Å
612	D	85.7	Confident	89.6	Confident	43 Å²	43	38.8 Å²	38.8	23%	0.23	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	54.9	-176.7	-67.2	-45.5	0	0	0	111.3	T609 L614 F657 P665 S666	T609-D612 PolarHBondContact O-N 3.34Å; D612-L614 PolarHBondContact O-N 2.94Å; D612-F657 HydrophobicContact CB-CE1 4.12Å; D612-F657 HydrophobicContact CB-CZ 4.12Å; D612-P665 WeakPolarHBondContact O-CA 3.47Å; D612-P665 VanDerWaalsContact O-CB 3.31Å; D612-P665 WeakPolarHBondContact O-CB 3.26Å; D612-S666 PolarHBondContact O-N 3.27Å
613	T	91.3	Very high	88.3	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	120.8	-169.8	-59	0	0	0	0	112.1	N607 L608 K611 V615 N639 R667 I669	N607-T613 PolarHBondContact O-OG1 3.41Å; L608-T613 HydrophobicContact CD2-CG2 4.28Å; L608-T613 VanDerWaalsContact O-CB 3.23Å; L608-T613 WeakPolarHBondContact O-CB 3.43Å; L608-T613 PolarHBondContact O-N 3.16Å; L608-T613 PolarHBondContact O-OG1 2.84Å; K611-T613 VanDerWaalsContact C-N 3.33Å; K611-T613 PolarHBondContact O-N 3.13Å; T613-V615 HydrophobicContact CG2-CG2 4.16Å; T613-N639 PolarHBondContact O-ND2 2.77Å; T613-R667 WeakPolarHBondContact CA-O 3.35Å; T613-R667 HydrophobicContact CG2-CB 4.34Å; T613-R667 HydrophobicContact CG2-CG 3.82Å; T613-R667 WeakPolarHBondContact OG1-CD 3.12Å; T613-I669 HydrophobicContact CG2-CD1 3.9Å; T613-I669 HydrophobicContact CG2-CG1 4.04Å
614	L	91.8	Very high	86.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110	169.7	177.1	65.8	0	0	0	110.3	D612 L616 N639 T653 I654 F657 P665 R667 I668 I669	D612-L614 PolarHBondContact O-N 2.94Å; L614-L616 HydrophobicContact CD1-CD2 3.92Å; L614-L616 HydrophobicContact CD2-CD1 4.45Å; L614-L616 HydrophobicContact CD2-CD2 3.99Å; L614-L616 HydrophobicContact CD2-CG 4.29Å; L614-L616 HydrophobicContact CG-CD2 3.84Å; L614-L616 HydrophobicContact CG-CG 4.08Å; L614-N639 WeakPolarHBondContact CA-OD1 3.46Å; L614-N639 VanDerWaalsContact CD1-O 3.25Å; L614-N639 WeakPolarHBondContact CD1-O 3.3Å; L614-N639 WeakPolarHBondContact CD1-OD1 3.32Å; L614-T653 HydrophobicContact CD1-CG2 4.33Å; L614-I654 HydrophobicContact CD2-CB 4.4Å; L614-I654 HydrophobicContact CD2-CG1 3.66Å; L614-F657 HydrophobicContact CB-CD2 4.31Å; L614-F657 HydrophobicContact CD1-CB 4.17Å; L614-F657 HydrophobicContact CD1-CD2 3.88Å; L614-F657 HydrophobicContact CD1-CG 4.29Å; L614-P665 HydrophobicContact CB-CB 3.7Å; L614-P665 HydrophobicContact CB-CG 3.72Å; L614-P665 HydrophobicContact CD2-CG 3.96Å; L614-P665 HydrophobicContact CG-CG 4.42Å; L614-R667 PolarHBondContact N-O 2.9Å; L614-I668 HydrophobicContact CB-CG1 4.35Å; L614-I668 HydrophobicContact CD2-CD1 4.43Å; L614-I668 HydrophobicContact CD2-CG1 4.39Å; L614-I668 CarbonylContact O-C 3.58Å; L614-I668 VanDerWaalsContact O-CA 3.27Å; L614-I668 WeakPolarHBondContact O-CA 3.33Å; L614-I669 PolarHBondContact O-N 2.85Å
615	V	93.5	Very high	85.3	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.7	170.4	-173.6	0	0	0	0	110	L608 T613 G638 N639 I669 F671 L790 P806	L608-V615 HydrophobicContact CD2-CG2 4.23Å; T613-V615 HydrophobicContact CG2-CG2 4.16Å; V615-G638 VanDerWaalsContact O-CA 3.29Å; V615-G638 WeakPolarHBondContact O-CA 3.33Å; V615-N639 PolarHBondContact N-OD1 3.47Å; V615-N639 PolarHBondContact O-N 2.82Å; V615-N639 VanDerWaalsContact O-N 3.12Å; V615-N639 PolarHBondContact O-OD1 3.22Å; V615-I669 CarbonylContact C-O 3.59Å; V615-I669 VanDerWaalsContact CA-O 3.28Å; V615-I669 WeakPolarHBondContact CA-O 3.31Å; V615-F671 HydrophobicContact CG1-CD2 3.94Å; V615-F671 HydrophobicContact CG1-CE2 3.91Å; V615-L790 HydrophobicContact CG1-CD1 3.71Å; V615-L790 HydrophobicContact CG1-CD2 4.46Å; V615-L790 HydrophobicContact CG2-CD1 4.41Å; V615-L790 HydrophobicContact CG2-CD2 4.49Å; V615-P806 HydrophobicContact CG1-CG 3.92Å
616	L	93.8	Very high	83.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.6	177.2	-60.1	178.3	0	0	0	110.7	L614 V636 V637 T653 I668 I669 L670 F671 L691	L614-L616 HydrophobicContact CD1-CD2 3.92Å; L614-L616 HydrophobicContact CD2-CD1 4.45Å; L614-L616 HydrophobicContact CD2-CD2 3.99Å; L614-L616 HydrophobicContact CD2-CG 4.29Å; L614-L616 HydrophobicContact CG-CD2 3.84Å; L614-L616 HydrophobicContact CG-CG 4.08Å; L616-V636 HydrophobicContact CD2-CG1 4.28Å; L616-V637 CarbonylContact C-O 3.06Å; L616-V637 WeakPolarHBondContact CA-O 3.1Å; L616-T653 HydrophobicContact CD2-CG2 3.62Å; L616-I668 HydrophobicContact CD1-CG2 3.85Å; L616-I668 HydrophobicContact CG-CG2 4.25Å; L616-I669 PolarHBondContact N-O 3.45Å; L616-L670 HydrophobicContact CB-CB 4.3Å; L616-L670 HydrophobicContact CB-CD1 4.48Å; L616-L670 HydrophobicContact CB-CG 4.18Å; L616-L670 HydrophobicContact CD1-CD1 4.32Å; L616-L670 CarbonylContact O-C 3.51Å; L616-L670 WeakPolarHBondContact O-CA 3.48Å; L616-F671 PolarHBondContact O-N 3.44Å; L616-L691 HydrophobicContact CD1-CD1 4.29Å
617	G	93.9	Very high	82.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.9	165.7	0	0	0	0	0	110.6	V636 V637 F671 A810	G617-V636 WeakPolarHBondContact O-CA 3.15Å; G617-V637 PolarHBondContact N-O 3.49Å; G617-V637 PolarHBondContact O-N 3.22Å; G617-F671 CarbonylContact C-O 3.54Å; G617-F671 WeakPolarHBondContact CA-O 3.33Å; G617-A810 WeakPolarHBondContact O-CB 3.41Å
618	V	92.2	Very high	80.6	Confident	18 Å²	18	52.6 Å²	52.6	11%	0.109	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134	179.1	-172.7	0	0	0	0	109.6	A635 V636 L670 F671 R672 D673	V618-A635 WeakPolarHBondContact CA-O 3.46Å; V618-V636 HydrophobicContact CG1-CG2 4.39Å; V618-V636 HydrophobicContact CG2-CG1 4.31Å; V618-V636 HydrophobicContact CG2-CG2 4.06Å; V618-L670 HydrophobicContact CG2-CD1 4.05Å; V618-L670 HydrophobicContact CG2-CD2 4.1Å; V618-L670 HydrophobicContact CG2-CG 4.03Å; V618-F671 PolarHBondContact N-O 3.31Å; V618-R672 HydrophobicContact CB-CB 4.27Å; V618-R672 HydrophobicContact CB-CG 4.23Å; V618-R672 HydrophobicContact CG1-CG 4.38Å; V618-R672 WeakPolarHBondContact O-CA 3.38Å; V618-D673 PolarHBondContact O-N 3.47Å
619	D	90.4	Very high	79.5	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.8	173.1	178.4	94.1	0	0	0	109.1	T621 A634 A635 A810 H811 C814	D619-T621 PolarHBondContact OD2-OG1 3.07Å; D619-A634 WeakPolarHBondContact O-CA 3.18Å; D619-A635 PolarHBondContact N-O 3.2Å; D619-A635 PolarHBondContact O-N 3.44Å; D619-A635 VanDerWaalsContact O-N 3.1Å; D619-A810 HydrophobicContact CB-CB 3.95Å; D619-H811 HydrophobicContact CB-CB 4.16Å; D619-H811 IonicContact OD1-CG 3.77Å; D619-H811 IonicContact OD1-ND1 3.11Å; D619-H811 PolarHBondContact OD1-ND1 3.23Å; D619-H811 IonicContact OD2-ND1 3.95Å; D619-C814 PolarHBondContact O-SG 3.49Å; D619-C814 PolarHBondContact OD2-SG 3.45Å
620	V	85.1	Confident	78.7	Confident	30 Å²	30	56.7 Å²	56.7	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125	171.7	-175.9	0	0	0	0	108.4	I633 A634	V620-I633 CarbonylContact C-O 3.6Å; V620-I633 WeakPolarHBondContact CA-O 3.45Å; V620-A634 HydrophobicContact CG2-CB 3.94Å
621	T	77.5	Confident	78.3	Confident	23 Å²	23	53.8 Å²	53.8	14%	0.141	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.5	175.3	-65.2	0	0	0	0	110.2	D619 I633 C814 R818	D619-T621 PolarHBondContact OD2-OG1 3.07Å; T621-I633 PolarHBondContact N-O 3.32Å; T621-I633 PolarHBondContact O-N 3.4Å; T621-C814 VanDerWaalsContact OG1-CB 3.27Å; T621-C814 WeakPolarHBondContact OG1-CB 3.29Å; T621-R818 PolarHBondContact O-NH2 3.2Å
622	H	77.4	Confident	78.1	Confident	112 Å²	112	52.7 Å²	52.7	52%	0.519	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-82.4	152.9	173.9	-60.2	-69.6	0	0	0	111.9	S632	H622-S632 PolarHBondContact ND1-OG 2.74Å
623	P	67.5	Low	78	Confident	40 Å²	40	51.6 Å²	51.6	26%	0.26	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-63.4	166.5	168.9	32.9	-40.9	0	0	0	112.4	D627 S630	P623-D627 HydrophobicContact CB-CB 4.25Å; P623-D627 WeakPolarHBondContact CB-O 3.31Å; P623-S630 VanDerWaalsContact CB-CB 3.47Å; P623-S630 VanDerWaalsContact CG-O 3.29Å; P623-S630 WeakPolarHBondContact CG-O 3.19Å
624	H	65	Low	77.6	Confident	100 Å²	100	54.6 Å²	54.6	46%	0.463	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-68.4	151.7	171.4	-172.1	-102	0	0	0	110.2	A626 D627	H624-A626 PolarHBondContact ND1-N 3.09Å; H624-A626 PolarHBondContact O-N 3.22Å; H624-D627 HydrophobicContact CB-CB 4.3Å; H624-D627 CarbonylContact O-C 3.6Å; H624-D627 WeakPolarHBondContact O-CA 3.41Å; H624-D627 PolarHBondContact O-N 3.19Å
625	V	60	Low	77.3	Confident	136 Å²	136	54.9 Å²	54.9	82%	0.824	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.8	-178.3	-179.9	0	0	0	0	113
626	A	57.8	Low	77.1	Confident	83 Å²	83	55.9 Å²	55.9	69%	0.686	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-20.5	176.1	0	0	0	0	0	114	H624	H624-A626 PolarHBondContact ND1-N 3.09Å; H624-A626 PolarHBondContact O-N 3.22Å
627	D	63.1	Low	76.8	Confident	40 Å²	40	55.9 Å²	55.9	21%	0.214	32%	0.316	C	S	.	.			trans	-92.4	101.1	177.7	177.3	-4.1	0	0	0	108.4	P623 H624 D629 S630	P623-D627 HydrophobicContact CB-CB 4.25Å; P623-D627 WeakPolarHBondContact CB-O 3.31Å; H624-D627 HydrophobicContact CB-CB 4.3Å; H624-D627 CarbonylContact O-C 3.6Å; H624-D627 WeakPolarHBondContact O-CA 3.41Å; H624-D627 PolarHBondContact O-N 3.19Å; D627-D629 PolarHBondContact OD1-N 2.99Å; D627-S630 VanDerWaalsContact CG-CB 3.47Å; D627-S630 VanDerWaalsContact OD1-CB 3.31Å; D627-S630 WeakPolarHBondContact OD1-CB 3.47Å; D627-S630 PolarHBondContact OD1-N 2.75Å; D627-S630 PolarHBondContact OD1-OG 3.39Å; D627-S630 WeakPolarHBondContact OD2-CB 3.48Å; D627-S630 PolarHBondContact OD2-OG 3.23Å
628	R	60	Low	76.5	Confident	215 Å²	215	56 Å²	56	81%	0.811	32%	0.316	S	S	*	.			trans	-93.7	-7	-177.6	-65.2	-174.2	176.5	-168.6	-2.9	113.2
629	D	66.5	Low	76.1	Confident	131 Å²	131	55.8 Å²	55.8	70%	0.701	32%	0.315	S	S	*	.	S	Bend	trans	-101.5	-29.5	-169.2	-56.6	-46.8	0	0	0	111.2	D627	D627-D629 PolarHBondContact OD1-N 2.99Å
630	S	70.8	Confident	75	Confident	8 Å²	8	57.4 Å²	57.4	6%	0.056	32%	0.322	C	S	.	.	S	Bend	trans	-67.9	129.9	174.7	-87.5	0	0	0	0	113.7	P623 D627 R818 T825	P623-S630 VanDerWaalsContact CB-CB 3.47Å; P623-S630 VanDerWaalsContact CG-O 3.29Å; P623-S630 WeakPolarHBondContact CG-O 3.19Å; D627-S630 VanDerWaalsContact CG-CB 3.47Å; D627-S630 VanDerWaalsContact OD1-CB 3.31Å; D627-S630 WeakPolarHBondContact OD1-CB 3.47Å; D627-S630 PolarHBondContact OD1-N 2.75Å; D627-S630 PolarHBondContact OD1-OG 3.39Å; D627-S630 WeakPolarHBondContact OD2-CB 3.48Å; D627-S630 PolarHBondContact OD2-OG 3.23Å; S630-R818 VanDerWaalsContact CB-NH1 3.32Å; S630-R818 PolarHBondContact OG-NH1 3.06Å; S630-T825 WeakPolarHBondContact OG-CB 2.89Å; S630-T825 WeakPolarHBondContact OG-CG2 3.48Å
631	P	77.6	Confident	73.9	Confident	52 Å²	52	57 Å²	57	34%	0.338	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-74.2	162.5	170.7	30.7	-34.9	0	0	0	112	R818 F846	P631-R818 VanDerWaalsContact O-CZ 3.24Å; P631-R818 PolarHBondContact O-NH1 3.36Å; P631-R818 PolarHBondContact O-NH2 3.09Å; P631-F846 HydrophobicContact CG-CD1 4.04Å; P631-F846 HydrophobicContact CG-CD2 4.42Å; P631-F846 HydrophobicContact CG-CE1 4.07Å; P631-F846 HydrophobicContact CG-CE2 4.47Å; P631-F846 HydrophobicContact CG-CG 4.24Å; P631-F846 HydrophobicContact CG-CZ 4.31Å
632	S	80	Confident	72.5	Confident	66 Å²	66	57.4 Å²	57.4	46%	0.462	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-72.9	138.3	165.6	-59.2	0	0	0	0	109.9	H622	H622-S632 PolarHBondContact ND1-OG 2.74Å
633	I	82.5	Confident	71.1	Confident	20 Å²	20	53.3 Å²	53.3	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129	-178.7	-59.5	173.4	0	0	0	108.9	V620 T621 R818	V620-I633 CarbonylContact C-O 3.6Å; V620-I633 WeakPolarHBondContact CA-O 3.45Å; T621-I633 PolarHBondContact N-O 3.32Å; T621-I633 PolarHBondContact O-N 3.4Å; I633-R818 HydrophobicContact CD1-CB 4.33Å
634	A	82.9	Confident	70.1	Confident	66 Å²	66	54 Å²	54	55%	0.545	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.7	174.2	0	0	0	0	0	111	D619 V620	D619-A634 WeakPolarHBondContact O-CA 3.18Å; V620-A634 HydrophobicContact CG2-CB 3.94Å
635	A	86.9	Confident	69.4	Low	5 Å²	5	50.4 Å²	50.4	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.5	172.3	0	0	0	0	0	110.6	V618 D619 A813 C814	V618-A635 WeakPolarHBondContact CA-O 3.46Å; D619-A635 PolarHBondContact N-O 3.2Å; D619-A635 PolarHBondContact O-N 3.44Å; D619-A635 VanDerWaalsContact O-N 3.1Å; A635-A813 HydrophobicContact CB-CB 3.73Å; A635-C814 WeakPolarHBondContact CB-SG 3.28Å; A635-C814 PolarHBondContact N-SG 3.34Å
636	V	88.4	Confident	68.7	Low	25 Å²	25	45.6 Å²	45.6	15%	0.152	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.6	171.8	-177.4	0	0	0	0	108	L616 G617 V618 G648 V650	L616-V636 HydrophobicContact CD2-CG1 4.28Å; G617-V636 WeakPolarHBondContact O-CA 3.15Å; V618-V636 HydrophobicContact CG1-CG2 4.39Å; V618-V636 HydrophobicContact CG2-CG1 4.31Å; V618-V636 HydrophobicContact CG2-CG2 4.06Å; V636-G648 PolarHBondContact O-N 3.13Å; V636-V650 HydrophobicContact CG1-CG2 4.41Å; V636-V650 HydrophobicContact CG2-CG2 4.37Å
637	V	88.3	Confident	68.4	Low	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.9	176.8	172.5	0	0	0	0	107.6	L616 G617 V645 F646 R647 F809 A810 A813 F862	L616-V637 CarbonylContact C-O 3.06Å; L616-V637 WeakPolarHBondContact CA-O 3.1Å; G617-V637 PolarHBondContact N-O 3.49Å; G617-V637 PolarHBondContact O-N 3.22Å; V637-V645 HydrophobicContact CB-CG1 4.49Å; V637-V645 HydrophobicContact CG1-CB 4.5Å; V637-V645 HydrophobicContact CG1-CG1 3.02Å; V637-F646 CarbonylContact C-O 3.45Å; V637-F646 WeakPolarHBondContact CA-O 3.45Å; V637-R647 HydrophobicContact CG2-CB 4.45Å; V637-F809 HydrophobicContact CB-CB 4.31Å; V637-F809 HydrophobicContact CG1-CB 3.81Å; V637-F809 HydrophobicContact CG2-CB 4.21Å; V637-A810 HydrophobicContact CB-CB 4.3Å; V637-A810 HydrophobicContact CG2-CB 4.12Å; V637-A813 HydrophobicContact CG2-CB 4.46Å; V637-F862 HydrophobicContact CG2-CZ 4.34Å
638	G	86.7	Confident	67.6	Low	1 Å²	1	43.1 Å²	43.1	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	158.5	175.9	0	0	0	0	0	111.8	V615 V645 F646	V615-G638 VanDerWaalsContact O-CA 3.29Å; V615-G638 WeakPolarHBondContact O-CA 3.33Å; G638-V645 CarbonylContact O-C 3.54Å; G638-V645 WeakPolarHBondContact O-CA 3.36Å; G638-F646 PolarHBondContact N-O 2.76Å; G638-F646 PolarHBondContact O-N 2.9Å
639	N	83.6	Confident	67.4	Low	15 Å²	15	41.7 Å²	41.7	8%	0.08	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	151.5	170.4	74.3	-52.5	0	0	0	110.7	T613 L614 V615 G641 S644 F657	T613-N639 PolarHBondContact O-ND2 2.77Å; L614-N639 WeakPolarHBondContact CA-OD1 3.46Å; L614-N639 VanDerWaalsContact CD1-O 3.25Å; L614-N639 WeakPolarHBondContact CD1-O 3.3Å; L614-N639 WeakPolarHBondContact CD1-OD1 3.32Å; V615-N639 PolarHBondContact N-OD1 3.47Å; V615-N639 PolarHBondContact O-N 2.82Å; V615-N639 VanDerWaalsContact O-N 3.12Å; V615-N639 PolarHBondContact O-OD1 3.22Å; N639-G641 WeakPolarHBondContact CB-O 3.37Å; N639-G641 PolarHBondContact ND2-O 3.05Å; N639-S644 CarbonylContact C-O 3.28Å; N639-S644 WeakPolarHBondContact CA-O 3.42Å; N639-F657 WeakPolarHBondContact O-CD2 3.44Å
640	M	66.7	Low	66.8	Low	37 Å²	37	36.9 Å²	36.9	18%	0.182	21%	0.213	C	C	.	.	S	Bend	trans	-106.6	-3.9	177.2	-64.3	-73.7	-73.1	0	0	112.3	S644 F646 A656 P660 N661	M640-S644 PolarHBondContact N-O 3.44Å; M640-F646 HydrophobicContact CE-CB 4.41Å; M640-F646 HydrophobicContact CG-CB 3.45Å; M640-F646 VanDerWaalsContact CG-CB 3.45Å; M640-F646 HydrophobicContact SD-CB 3.28Å; M640-F646 WeakPolarHBondContact SD-CB 3.41Å; M640-F646 HydrophobicContact SD-CD2 4.29Å; M640-F646 HydrophobicContact SD-CG 3.83Å; M640-A656 HydrophobicContact CE-CB 3.56Å; M640-A656 WeakPolarHBondContact CE-O 3.39Å; M640-A656 HydrophobicContact SD-CB 3.26Å; M640-A656 WeakPolarHBondContact SD-CB 3.47Å; M640-P660 HydrophobicContact CE-CG 4.05Å; M640-N661 PolarHBondContact O-ND2 3.2Å
641	G	62.1	Low	65.8	Low	22 Å²	22	37.5 Å²	37.5	23%	0.227	22%	0.217	C	C	.	.	S	Bend	trans	176.3	-173.1	-174.1	0	0	0	0	0	104.9	N639 N643	N639-G641 WeakPolarHBondContact CB-O 3.37Å; N639-G641 PolarHBondContact ND2-O 3.05Å; G641-N643 PolarHBondContact O-N 3.43Å
642	V	49.9	Very low	65	Low	31 Å²	31	40.4 Å²	40.4	19%	0.188	22%	0.222	C	C	.	.	S	Bend	trans	-58.1	-29.1	-174.5	-175.3	0	0	0	0	113.7	L598 T609	L598-V642 HydrophobicContact CB-CG1 4.45Å; L598-V642 HydrophobicContact CD1-CG1 4.41Å; T609-V642 HydrophobicContact CG2-CG2 3.17Å
643	N	46.9	Very low	64	Low	27 Å²	27	37.3 Å²	37.3	14%	0.144	20%	0.2	C	C	.	.	S	Bend	trans	-133.1	-11	-170	-43.4	-77.7	0	0	0	115.5	V594 R597 L598 G641	V594-N643 HydrophobicContact CG1-CB 3.88Å; R597-N643 VanDerWaalsContact CA-OD1 3.27Å; R597-N643 WeakPolarHBondContact CA-OD1 3.46Å; R597-N643 HydrophobicContact CB-CB 4.48Å; R597-N643 WeakPolarHBondContact CB-ND2 3.47Å; R597-N643 WeakPolarHBondContact CD-ND2 3.39Å; R597-N643 WeakPolarHBondContact CG-ND2 3.45Å; L598-N643 PolarHBondContact N-OD1 3.01Å; G641-N643 PolarHBondContact O-N 3.43Å
644	S	47.2	Very low	63.1	Low	55 Å²	55	36.3 Å²	36.3	39%	0.385	20%	0.195	S	C	.	.			trans	-84	146.6	175.8	-65.8	0	0	0	0	109.4	N639 M640	N639-S644 CarbonylContact C-O 3.28Å; N639-S644 WeakPolarHBondContact CA-O 3.42Å; M640-S644 PolarHBondContact N-O 3.44Å
645	V	49.9	Very low	62.1	Low	24 Å²	24	38.8 Å²	38.8	15%	0.145	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.8	-169.3	178.1	0	0	0	0	111.2	V637 G638 F809 M860	V637-V645 HydrophobicContact CB-CG1 4.49Å; V637-V645 HydrophobicContact CG1-CB 4.5Å; V637-V645 HydrophobicContact CG1-CG1 3.02Å; G638-V645 CarbonylContact O-C 3.54Å; G638-V645 WeakPolarHBondContact O-CA 3.36Å; V645-F809 HydrophobicContact CG1-CD2 4.22Å; V645-F809 HydrophobicContact CG2-CD2 4.19Å; V645-F809 HydrophobicContact CG2-CE2 4.07Å; V645-M860 HydrophobicContact CB-CG 4.34Å; V645-M860 HydrophobicContact CB-SD 3.92Å; V645-M860 HydrophobicContact CG2-SD 4.38Å
646	F	44.5	Very low	60.8	Low	35 Å²	35	39 Å²	39	15%	0.154	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.1	178.6	179.9	-94.9	0	0	0	112.1	V637 G638 M640 R652 T653 A656	V637-F646 CarbonylContact C-O 3.45Å; V637-F646 WeakPolarHBondContact CA-O 3.45Å; G638-F646 PolarHBondContact N-O 2.76Å; G638-F646 PolarHBondContact O-N 2.9Å; M640-F646 HydrophobicContact CE-CB 4.41Å; M640-F646 HydrophobicContact CG-CB 3.45Å; M640-F646 VanDerWaalsContact CG-CB 3.45Å; M640-F646 HydrophobicContact SD-CB 3.28Å; M640-F646 WeakPolarHBondContact SD-CB 3.41Å; M640-F646 HydrophobicContact SD-CD2 4.29Å; M640-F646 HydrophobicContact SD-CG 3.83Å; F646-R652 HydrophobicContact CE1-CB 4.2Å; F646-T653 HydrophobicContact CD1-CG2 4.31Å; F646-A656 HydrophobicContact CB-CB 4.38Å; F646-A656 HydrophobicContact CD1-CB 3.56Å; F646-A656 HydrophobicContact CD2-CB 3.94Å; F646-A656 HydrophobicContact CE1-CB 3.65Å; F646-A656 HydrophobicContact CE2-CB 4.04Å; F646-A656 HydrophobicContact CG-CB 3.7Å; F646-A656 HydrophobicContact CZ-CB 3.9Å
647	R	52.3	Low	59.5	Low	53 Å²	53	38 Å²	38	20%	0.2	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.2	173.3	-180	-166.7	176.5	-134.6	2	109.5	V637 S817 Y861 F862	V637-R647 HydrophobicContact CG2-CB 4.45Å; R647-S817 PolarHBondContact NH2-OG 2.94Å; R647-Y861 VanDerWaalsContact CZ-OH 3.27Å; R647-Y861 PolarHBondContact NH1-OH 2.88Å; R647-F862 HydrophobicContact CB-CE1 4.02Å
648	G	46.5	Very low	57.9	Low	18 Å²	18	38.9 Å²	38.9	19%	0.186	19%	0.192	C	C	.	.	S	Bend	trans	-172.1	177.7	175.3	0	0	0	0	0	112.9	V636 T653	V636-G648 PolarHBondContact O-N 3.13Å; G648-T653 PolarHBondContact O-OG1 2.93Å
649	R	55.5	Low	56.6	Low	185 Å²	185	44.9 Å²	44.9	70%	0.698	22%	0.224	S	C	*	.			trans	-60.8	150.4	161.5	-65.5	-179.5	71.3	176.5	0.2	108.1	S651 R652 T653	R649-S651 VanDerWaalsContact C-N 3.28Å; R649-S651 PolarHBondContact O-N 2.89Å; R649-S651 VanDerWaalsContact O-N 3.14Å; R649-R652 CarbonylContact O-C 3.55Å; R649-R652 WeakPolarHBondContact O-CA 3.28Å; R649-R652 WeakPolarHBondContact O-CB 3.47Å; R649-R652 PolarHBondContact O-N 3.05Å; R649-T653 PolarHBondContact O-N 3.18Å; R649-T653 PolarHBondContact O-OG1 3.38Å
650	V	53.9	Low	55.4	Low	30 Å²	30	48.3 Å²	48.3	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-44.9	-50.6	179.4	176.1	0	0	0	0	112.5	V636 R652 T653 I654 L691 A694	V636-V650 HydrophobicContact CG1-CG2 4.41Å; V636-V650 HydrophobicContact CG2-CG2 4.37Å; V650-R652 VanDerWaalsContact C-N 3.26Å; V650-R652 PolarHBondContact O-N 2.83Å; V650-T653 PolarHBondContact O-N 3.29Å; V650-T653 VanDerWaalsContact O-N 3.11Å; V650-I654 HydrophobicContact CG1-CD1 3.78Å; V650-I654 HydrophobicContact CG1-CG1 4.41Å; V650-I654 VanDerWaalsContact O-CG1 3.3Å; V650-I654 WeakPolarHBondContact O-CG1 3.32Å; V650-I654 PolarHBondContact O-N 3.27Å; V650-L691 HydrophobicContact CG1-CD1 3.3Å; V650-A694 HydrophobicContact CB-CB 4.08Å; V650-A694 HydrophobicContact CG1-CB 3.65Å
651	S	49	Very low	55.1	Low	20 Å²	20	49.4 Å²	49.4	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-25.9	178.7	60.1	0	0	0	0	114.6	R649 R655	R649-S651 VanDerWaalsContact C-N 3.28Å; R649-S651 PolarHBondContact O-N 2.89Å; R649-S651 VanDerWaalsContact O-N 3.14Å; S651-R655 WeakPolarHBondContact O-CG 3.46Å; S651-R655 PolarHBondContact O-N 2.83Å; S651-R655 PolarHBondContact O-NE 2.84Å; S651-R655 VanDerWaalsContact O-NE 3.13Å
652	R	61.2	Low	55.2	Low	114 Å²	114	55.9 Å²	55.9	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-80.6	-38.2	172.2	-71.1	-173.5	-179.5	166.2	-0.9	111.2	F646 R649 V650 I654 R655 A656	F646-R652 HydrophobicContact CE1-CB 4.2Å; R649-R652 CarbonylContact O-C 3.55Å; R649-R652 WeakPolarHBondContact O-CA 3.28Å; R649-R652 WeakPolarHBondContact O-CB 3.47Å; R649-R652 PolarHBondContact O-N 3.05Å; V650-R652 VanDerWaalsContact C-N 3.26Å; V650-R652 PolarHBondContact O-N 2.83Å; R652-I654 VanDerWaalsContact C-N 3.34Å; R652-R655 PolarHBondContact O-N 3.35Å; R652-A656 WeakPolarHBondContact O-CB 3.35Å; R652-A656 PolarHBondContact O-N 2.74Å
653	T	59.7	Low	56.3	Low	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-40.6	176.7	-51.2	0	0	0	0	111.2	L614 L616 F646 G648 R649 V650 A656 F657	L614-T653 HydrophobicContact CD1-CG2 4.33Å; L616-T653 HydrophobicContact CD2-CG2 3.62Å; F646-T653 HydrophobicContact CD1-CG2 4.31Å; G648-T653 PolarHBondContact O-OG1 2.93Å; R649-T653 PolarHBondContact O-N 3.18Å; R649-T653 PolarHBondContact O-OG1 3.38Å; V650-T653 PolarHBondContact O-N 3.29Å; V650-T653 VanDerWaalsContact O-N 3.11Å; T653-A656 PolarHBondContact O-N 2.91Å; T653-F657 PolarHBondContact O-N 2.81Å
654	I	63.9	Low	58	Low	0 Å²	0	65 Å²	65	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-44.3	173.5	-61	163.5	0	0	0	110.7	L614 V650 R652 A656 F657 A658 P665 I668 L691 A694 L698 Y702	L614-I654 HydrophobicContact CD2-CB 4.4Å; L614-I654 HydrophobicContact CD2-CG1 3.66Å; V650-I654 HydrophobicContact CG1-CD1 3.78Å; V650-I654 HydrophobicContact CG1-CG1 4.41Å; V650-I654 VanDerWaalsContact O-CG1 3.3Å; V650-I654 WeakPolarHBondContact O-CG1 3.32Å; V650-I654 PolarHBondContact O-N 3.27Å; R652-I654 VanDerWaalsContact C-N 3.34Å; I654-A656 VanDerWaalsContact C-N 3.34Å; I654-A656 PolarHBondContact O-N 2.87Å; I654-F657 WeakPolarHBondContact O-CB 3.33Å; I654-F657 PolarHBondContact O-N 2.78Å; I654-A658 PolarHBondContact O-N 2.81Å; I654-P665 HydrophobicContact CG2-CG 4.25Å; I654-I668 HydrophobicContact CD1-CD1 4.36Å; I654-L691 HydrophobicContact CD1-CD1 4.44Å; I654-A694 HydrophobicContact CD1-CB 4.42Å; I654-L698 HydrophobicContact CB-CD1 3.71Å; I654-L698 HydrophobicContact CG2-CD1 3.27Å; I654-Y702 HydrophobicContact CG2-CE1 4.05Å
655	R	61.2	Low	59.9	Low	118 Å²	118	62.4 Å²	62.4	45%	0.445	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-43.4	173.5	-84.5	-177.5	-81.8	-178.6	-14.5	112.7	S651 R652 F657 A658 N659 L698	S651-R655 WeakPolarHBondContact O-CG 3.46Å; S651-R655 PolarHBondContact O-N 2.83Å; S651-R655 PolarHBondContact O-NE 2.84Å; S651-R655 VanDerWaalsContact O-NE 3.13Å; R652-R655 PolarHBondContact O-N 3.35Å; R655-F657 VanDerWaalsContact C-N 3.26Å; R655-F657 PolarHBondContact O-N 3.18Å; R655-A658 PolarHBondContact O-N 2.78Å; R655-N659 PolarHBondContact O-N 3.42Å; R655-N659 PolarHBondContact O-OD1 2.89Å; R655-N659 VanDerWaalsContact O-OD1 3.09Å; R655-L698 HydrophobicContact CG-CD1 4.21Å; R655-L698 HydrophobicContact CG-CD2 3.42Å; R655-L698 VanDerWaalsContact CG-CD2 3.42Å; R655-L698 HydrophobicContact CG-CG 4.47Å
656	A	59.2	Low	61.8	Low	9 Å²	9	64.4 Å²	64.4	7%	0.074	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-37	179.7	0	0	0	0	0	110	M640 F646 R652 T653 I654 P660	M640-A656 HydrophobicContact CE-CB 3.56Å; M640-A656 WeakPolarHBondContact CE-O 3.39Å; M640-A656 HydrophobicContact SD-CB 3.26Å; M640-A656 WeakPolarHBondContact SD-CB 3.47Å; F646-A656 HydrophobicContact CB-CB 4.38Å; F646-A656 HydrophobicContact CD1-CB 3.56Å; F646-A656 HydrophobicContact CD2-CB 3.94Å; F646-A656 HydrophobicContact CE1-CB 3.65Å; F646-A656 HydrophobicContact CE2-CB 4.04Å; F646-A656 HydrophobicContact CG-CB 3.7Å; F646-A656 HydrophobicContact CZ-CB 3.9Å; R652-A656 WeakPolarHBondContact O-CB 3.35Å; R652-A656 PolarHBondContact O-N 2.74Å; T653-A656 PolarHBondContact O-N 2.91Å; I654-A656 VanDerWaalsContact C-N 3.34Å; I654-A656 PolarHBondContact O-N 2.87Å; A656-P660 WeakPolarHBondContact O-CD 3.33Å
657	F	60.6	Low	64.1	Low	5 Å²	5	63.2 Å²	63.2	2%	0.022	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-40.7	169.6	-176.1	-78.7	0	0	0	112.7	D612 L614 N639 T653 I654 R655 N661 P665	D612-F657 HydrophobicContact CB-CE1 4.12Å; D612-F657 HydrophobicContact CB-CZ 4.12Å; L614-F657 HydrophobicContact CB-CD2 4.31Å; L614-F657 HydrophobicContact CD1-CB 4.17Å; L614-F657 HydrophobicContact CD1-CD2 3.88Å; L614-F657 HydrophobicContact CD1-CG 4.29Å; N639-F657 WeakPolarHBondContact O-CD2 3.44Å; T653-F657 PolarHBondContact O-N 2.81Å; I654-F657 WeakPolarHBondContact O-CB 3.33Å; I654-F657 PolarHBondContact O-N 2.78Å; R655-F657 VanDerWaalsContact C-N 3.26Å; R655-F657 PolarHBondContact O-N 3.18Å; F657-N661 PolarHBondContact O-ND2 2.67Å; F657-P665 HydrophobicContact CB-CG 4.29Å; F657-P665 HydrophobicContact CD1-CB 4.17Å; F657-P665 HydrophobicContact CD1-CG 3.44Å; F657-P665 VanDerWaalsContact CD1-CG 3.44Å; F657-P665 HydrophobicContact CE1-CB 4.04Å; F657-P665 HydrophobicContact CE1-CG 3.83Å; F657-P665 HydrophobicContact CG-CG 3.87Å
658	A	56.1	Low	66	Low	17 Å²	17	60.7 Å²	60.7	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-69.2	-38.9	-177.1	0	0	0	0	0	113.2	I654 R655 N661 D662 R663 K664	I654-A658 PolarHBondContact O-N 2.81Å; R655-A658 PolarHBondContact O-N 2.78Å; A658-N661 PolarHBondContact O-N 2.8Å; A658-D662 WeakPolarHBondContact O-CA 3.46Å; A658-D662 PolarHBondContact O-N 3.08Å; A658-R663 WeakPolarHBondContact CA-O 3.23Å; A658-K664 HydrophobicContact CB-CG 4.45Å
659	N	58.9	Low	68.4	Low	128 Å²	128	59.8 Å²	59.8	68%	0.684	29%	0.287	S	S	*	.	H	α-helix	trans	-61.1	-46.8	-171.8	-67.5	-2.6	0	0	0	114.4	R655	R655-N659 PolarHBondContact O-N 3.42Å; R655-N659 PolarHBondContact O-OD1 2.89Å; R655-N659 VanDerWaalsContact O-OD1 3.09Å
660	P	57.8	Low	70.3	Confident	86 Å²	86	51.4 Å²	51.4	56%	0.558	26%	0.256	S	S	*	.	H	α-helix	trans	-74.2	-25.5	178.3	-14.8	29.2	0	0	0	113.5	M640 A656	M640-P660 HydrophobicContact CE-CG 4.05Å; A656-P660 WeakPolarHBondContact O-CD 3.33Å
661	N	59.9	Low	72.4	Confident	61 Å²	61	50 Å²	50	33%	0.326	25%	0.247	S	C	.	.	H	α-helix	trans	-101.2	-6.4	-171.3	-61.1	-39.9	0	0	0	113	M640 F657 A658 R663	M640-N661 PolarHBondContact O-ND2 3.2Å; F657-N661 PolarHBondContact O-ND2 2.67Å; A658-N661 PolarHBondContact O-N 2.8Å; N661-R663 WeakPolarHBondContact O-CG 3.41Å; N661-R663 PolarHBondContact O-N 3.31Å
662	D	64.5	Low	74.6	Confident	157 Å²	157	51.3 Å²	51.3	84%	0.84	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	19.8	-170.6	-152.8	30.8	0	0	0	114.3	A658	A658-D662 WeakPolarHBondContact O-CA 3.46Å; A658-D662 PolarHBondContact O-N 3.08Å
663	R	73.8	Confident	76	Confident	164 Å²	164	46.1 Å²	46.1	62%	0.619	23%	0.23	S	C	*	.	S	Bend	trans	-139.7	131.4	-174.1	-70	-177.5	-176.4	177.7	1.6	110.1	A658 N661	A658-R663 WeakPolarHBondContact CA-O 3.23Å; N661-R663 WeakPolarHBondContact O-CG 3.41Å; N661-R663 PolarHBondContact O-N 3.31Å
664	K	82.6	Confident	77.1	Confident	87 Å²	87	47.8 Å²	47.8	38%	0.378	25%	0.247	S	C	.	.			trans	-73.4	141.9	173	-60.3	173.2	-167.4	167.8	0	108.6	A658 S666 D699 Y702	A658-K664 HydrophobicContact CB-CG 4.45Å; K664-S666 PolarHBondContact O-N 3.19Å; K664-D699 IonicContact NZ-OD2 3.73Å; K664-D699 PolarHBondContact NZ-OD2 2.99Å; K664-Y702 HydrophobicContact CB-CD2 4.33Å; K664-Y702 HydrophobicContact CB-CE1 4.44Å; K664-Y702 HydrophobicContact CB-CE2 3.76Å; K664-Y702 HydrophobicContact CD-CD1 4.41Å; K664-Y702 HydrophobicContact CD-CD2 4.21Å; K664-Y702 HydrophobicContact CD-CE2 4.45Å; K664-Y702 HydrophobicContact CD-CG 4.2Å
665	P	87	Confident	78.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	C	.	.			trans	-55.7	130.3	179.1	-13.4	16.5	0	0	0	111.7	D612 L614 I654 F657 R667 Y702 P704	D612-P665 WeakPolarHBondContact O-CA 3.47Å; D612-P665 VanDerWaalsContact O-CB 3.31Å; D612-P665 WeakPolarHBondContact O-CB 3.26Å; L614-P665 HydrophobicContact CB-CB 3.7Å; L614-P665 HydrophobicContact CB-CG 3.72Å; L614-P665 HydrophobicContact CD2-CG 3.96Å; L614-P665 HydrophobicContact CG-CG 4.42Å; I654-P665 HydrophobicContact CG2-CG 4.25Å; F657-P665 HydrophobicContact CB-CG 4.29Å; F657-P665 HydrophobicContact CD1-CB 4.17Å; F657-P665 HydrophobicContact CD1-CG 3.44Å; F657-P665 VanDerWaalsContact CD1-CG 3.44Å; F657-P665 HydrophobicContact CE1-CB 4.04Å; F657-P665 HydrophobicContact CE1-CG 3.83Å; F657-P665 HydrophobicContact CG-CG 3.87Å; P665-R667 VanDerWaalsContact C-N 3.31Å; P665-Y702 VanDerWaalsContact CD-OH 3.27Å; P665-Y702 WeakPolarHBondContact CD-OH 3.25Å; P665-Y702 VanDerWaalsContact O-CE2 3.31Å; P665-Y702 WeakPolarHBondContact O-CE2 3.36Å; P665-Y702 PolarHBondContact O-OH 2.99Å; P665-P704 WeakPolarHBondContact O-CB 3.27Å
666	S	89	Confident	79.2	Confident	65 Å²	65	45.4 Å²	45.4	46%	0.455	25%	0.248	S	C	.	.	S	Bend	trans	-78.9	-23.6	173.8	84.8	0	0	0	0	111.9	K611 D612 K664 P704 G705	K611-S666 WeakPolarHBondContact O-CB 3.19Å; K611-S666 PolarHBondContact O-OG 2.78Å; D612-S666 PolarHBondContact O-N 3.27Å; K664-S666 PolarHBondContact O-N 3.19Å; S666-P704 WeakPolarHBondContact O-CA 3.27Å; S666-P704 VanDerWaalsContact O-CB 3.27Å; S666-P704 WeakPolarHBondContact O-CB 3.33Å; S666-G705 PolarHBondContact O-N 3.46Å; S666-G705 VanDerWaalsContact O-N 3.13Å
667	R	92.9	Very high	80.4	Confident	10 Å²	10	48.4 Å²	48.4	4%	0.038	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.1	-176.2	172.6	176.8	-68.5	-176.4	-12.1	111.2	N607 K611 T613 L614 P665 I669 N776	N607-R667 PolarHBondContact O-NH1 3.38Å; K611-R667 VanDerWaalsContact CD-CZ 3.43Å; K611-R667 VanDerWaalsContact NZ-NH2 3.16Å; T613-R667 WeakPolarHBondContact CA-O 3.35Å; T613-R667 HydrophobicContact CG2-CB 4.34Å; T613-R667 HydrophobicContact CG2-CG 3.82Å; T613-R667 WeakPolarHBondContact OG1-CD 3.12Å; L614-R667 PolarHBondContact N-O 2.9Å; P665-R667 VanDerWaalsContact C-N 3.31Å; R667-I669 HydrophobicContact CG-CG1 4.29Å; R667-N776 WeakPolarHBondContact CG-OD1 3.29Å; R667-N776 PolarHBondContact NE-OD1 3.11Å; R667-N776 PolarHBondContact NH2-O 3.15Å
668	I	94	Very high	81.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.4	172.7	-54.6	-178.7	0	0	0	109.9	L614 L616 I654 L691 P704 G705 I706 T707 N776	L614-I668 HydrophobicContact CB-CG1 4.35Å; L614-I668 HydrophobicContact CD2-CD1 4.43Å; L614-I668 HydrophobicContact CD2-CG1 4.39Å; L614-I668 CarbonylContact O-C 3.58Å; L614-I668 VanDerWaalsContact O-CA 3.27Å; L614-I668 WeakPolarHBondContact O-CA 3.33Å; L616-I668 HydrophobicContact CD1-CG2 3.85Å; L616-I668 HydrophobicContact CG-CG2 4.25Å; I654-I668 HydrophobicContact CD1-CD1 4.36Å; I668-L691 HydrophobicContact CD1-CD1 4.1Å; I668-L691 HydrophobicContact CG2-CD1 4.49Å; I668-L691 HydrophobicContact CG2-CD2 4.17Å; I668-P704 HydrophobicContact CD1-CB 4.44Å; I668-P704 HydrophobicContact CD1-CG 3.67Å; I668-P704 HydrophobicContact CG1-CB 4.29Å; I668-P704 HydrophobicContact CG1-CG 4.05Å; I668-G705 PolarHBondContact N-O 3.28Å; I668-I706 HydrophobicContact CB-CG1 4.4Å; I668-I706 CarbonylContact O-C 3.59Å; I668-I706 WeakPolarHBondContact O-CA 3.29Å; I668-T707 PolarHBondContact O-N 2.78Å; I668-N776 PolarHBondContact O-ND2 3.41Å
669	I	96.4	Very high	82.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.2	171.7	-56.5	177.1	0	0	0	108.2	T613 L614 V615 L616 R667 F671 L778 M783 I786	T613-I669 HydrophobicContact CG2-CD1 3.9Å; T613-I669 HydrophobicContact CG2-CG1 4.04Å; L614-I669 PolarHBondContact O-N 2.85Å; V615-I669 CarbonylContact C-O 3.59Å; V615-I669 VanDerWaalsContact CA-O 3.28Å; V615-I669 WeakPolarHBondContact CA-O 3.31Å; L616-I669 PolarHBondContact N-O 3.45Å; R667-I669 HydrophobicContact CG-CG1 4.29Å; I669-F671 HydrophobicContact CG2-CD2 4.13Å; I669-F671 HydrophobicContact CG2-CE2 3.54Å; I669-F671 HydrophobicContact CG2-CZ 3.97Å; I669-L778 HydrophobicContact CD1-CD1 3.87Å; I669-L778 HydrophobicContact CG1-CD1 4.33Å; I669-M783 HydrophobicContact CG2-CE 4.33Å; I669-I786 HydrophobicContact CD1-CD1 3.95Å; I669-I786 HydrophobicContact CD1-CG2 4.34Å
670	L	96	Very high	84.1	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.4	-179.7	-174.5	154.7	0	0	0	110.3	L616 V618 R672 L691 T707 Y708 V709	L616-L670 HydrophobicContact CB-CB 4.3Å; L616-L670 HydrophobicContact CB-CD1 4.48Å; L616-L670 HydrophobicContact CB-CG 4.18Å; L616-L670 HydrophobicContact CD1-CD1 4.32Å; L616-L670 CarbonylContact O-C 3.51Å; L616-L670 WeakPolarHBondContact O-CA 3.48Å; V618-L670 HydrophobicContact CG2-CD1 4.05Å; V618-L670 HydrophobicContact CG2-CD2 4.1Å; V618-L670 HydrophobicContact CG2-CG 4.03Å; L670-R672 HydrophobicContact CD2-CB 3.89Å; L670-L691 HydrophobicContact CD1-CD2 4.36Å; L670-T707 PolarHBondContact N-O 2.81Å; L670-Y708 HydrophobicContact CD1-CD2 4.48Å; L670-Y708 HydrophobicContact CD1-CE2 4.21Å; L670-Y708 HydrophobicContact CD2-CD1 4.42Å; L670-Y708 HydrophobicContact CD2-CD2 4Å; L670-Y708 HydrophobicContact CD2-CE1 4.14Å; L670-Y708 HydrophobicContact CD2-CE2 3.72Å; L670-Y708 HydrophobicContact CD2-CG 4.36Å; L670-V709 PolarHBondContact O-N 2.86Å
671	F	97.1	Very high	85.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.1	169.4	-65.4	-88	0	0	0	110.2	V615 L616 G617 V618 I669 V709 V711 Y769 M783 I786 A787 L790 P804 V807	V615-F671 HydrophobicContact CG1-CD2 3.94Å; V615-F671 HydrophobicContact CG1-CE2 3.91Å; L616-F671 PolarHBondContact O-N 3.44Å; G617-F671 CarbonylContact C-O 3.54Å; G617-F671 WeakPolarHBondContact CA-O 3.33Å; V618-F671 PolarHBondContact N-O 3.31Å; I669-F671 HydrophobicContact CG2-CD2 4.13Å; I669-F671 HydrophobicContact CG2-CE2 3.54Å; I669-F671 HydrophobicContact CG2-CZ 3.97Å; F671-V709 CarbonylContact C-O 3.28Å; F671-V709 VanDerWaalsContact CA-O 3.3Å; F671-V709 WeakPolarHBondContact CA-O 3.25Å; F671-V709 HydrophobicContact CD1-CB 3.75Å; F671-V709 HydrophobicContact CD1-CG1 3.85Å; F671-V709 HydrophobicContact CD1-CG2 4.31Å; F671-V709 HydrophobicContact CE1-CB 4.05Å; F671-V709 HydrophobicContact CE1-CG1 3.98Å; F671-V709 HydrophobicContact CE1-CG2 4.18Å; F671-V709 HydrophobicContact CG-CB 4.46Å; F671-V711 HydrophobicContact CB-CG2 4.11Å; F671-V711 HydrophobicContact CD1-CG2 3.75Å; F671-V711 HydrophobicContact CG-CG2 4.41Å; F671-Y769 HydrophobicContact CD1-CD1 4.37Å; F671-Y769 HydrophobicContact CD1-CE1 4.3Å; F671-Y769 HydrophobicContact CE1-CD1 4.16Å; F671-Y769 HydrophobicContact CE1-CE1 4.11Å; F671-M783 HydrophobicContact CE1-CE 3.96Å; F671-M783 HydrophobicContact CZ-CE 3.54Å; F671-I786 HydrophobicContact CZ-CG2 4.36Å; F671-A787 HydrophobicContact CE1-CB 4.28Å; F671-A787 HydrophobicContact CZ-CB 4.45Å; F671-L790 HydrophobicContact CD2-CD1 4.38Å; F671-L790 HydrophobicContact CE2-CD1 3.52Å; F671-L790 HydrophobicContact CZ-CD1 4.02Å; F671-P804 HydrophobicContact CD1-CG 3.95Å; F671-P804 HydrophobicContact CD2-CB 4.48Å; F671-P804 HydrophobicContact CD2-CG 4.5Å; F671-P804 HydrophobicContact CE1-CG 4.01Å; F671-P804 HydrophobicContact CG-CG 4.19Å; F671-P804 HydrophobicContact CZ-CG 4.3Å; F671-V807 HydrophobicContact CB-CG2 3.26Å; F671-V807 HydrophobicContact CG-CG2 4.27Å
672	R	94.5	Very high	86.7	Confident	47 Å²	47	50.3 Å²	50.3	18%	0.177	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.7	179.4	-179.1	172.8	174.1	163.7	-6.1	111.6	V618 L670 V675 Y708 V709 V710 V711	V618-R672 HydrophobicContact CB-CB 4.27Å; V618-R672 HydrophobicContact CB-CG 4.23Å; V618-R672 HydrophobicContact CG1-CG 4.38Å; V618-R672 WeakPolarHBondContact O-CA 3.38Å; L670-R672 HydrophobicContact CD2-CB 3.89Å; R672-V675 HydrophobicContact CG-CG2 3.87Å; R672-Y708 HydrophobicContact CB-CE1 4.37Å; R672-Y708 WeakPolarHBondContact CD-OH 3.28Å; R672-Y708 PolarHBondContact NH1-OH 3.49Å; R672-V709 PolarHBondContact N-O 2.93Å; R672-V710 CarbonylContact O-C 3.56Å; R672-V710 WeakPolarHBondContact O-CA 3.43Å; R672-V711 PolarHBondContact O-N 2.79Å
673	D	91.4	Very high	87.8	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.032	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	160.7	170	-176.3	18.7	0	0	0	110.9	V618 V711 K713 V807	V618-D673 PolarHBondContact O-N 3.47Å; D673-V711 WeakPolarHBondContact CA-O 3.4Å; D673-K713 WeakPolarHBondContact OD2-CD 3.34Å; D673-K713 WeakPolarHBondContact OD2-CE 3.31Å; D673-K713 IonicContact OD2-NZ 3.12Å; D673-K713 PolarHBondContact OD2-NZ 3.3Å; D673-V807 HydrophobicContact CB-CG1 3.52Å
674	G	82.6	Confident	88.6	Confident	34 Å²	34	35.6 Å²	35.6	35%	0.351	20%	0.198	S	C	.	.	S	Bend	trans	89.5	26.2	174.7	0	0	0	0	0	115.2
675	V	86	Confident	88.9	Confident	10 Å²	10	39 Å²	39	6%	0.061	21%	0.208	C	C	.	.			trans	-123.7	131.9	-176.3	-173.8	0	0	0	0	110.5	R672 E679 F680 V683 V710 Q712	R672-V675 HydrophobicContact CG-CG2 3.87Å; V675-E679 HydrophobicContact CG1-CB 3.7Å; V675-F680 HydrophobicContact CG1-CD1 3.92Å; V675-F680 HydrophobicContact CG1-CE1 4.24Å; V675-V683 HydrophobicContact CG1-CB 4.15Å; V675-V683 HydrophobicContact CG1-CG1 4.2Å; V675-V683 HydrophobicContact CG1-CG2 3.84Å; V675-V683 HydrophobicContact CG2-CG1 4.14Å; V675-V683 HydrophobicContact CG2-CG2 4.3Å; V675-V710 HydrophobicContact CB-CG1 3.96Å; V675-Q712 PolarHBondContact O-NE2 3.49Å
676	S	83.9	Confident	88.9	Confident	59 Å²	59	44.2 Å²	44.2	41%	0.413	23%	0.232	S	C	.	.			trans	-83.6	159.3	173.4	68	0	0	0	0	111.8	G678 E679 F680	S676-G678 VanDerWaalsContact C-N 3.28Å; S676-G678 PolarHBondContact O-N 2.94Å; S676-E679 WeakPolarHBondContact CB-OE2 3.36Å; S676-E679 PolarHBondContact N-OE2 3.39Å; S676-E679 PolarHBondContact O-N 2.89Å; S676-E679 VanDerWaalsContact OG-CD 3.24Å; S676-E679 WeakPolarHBondContact OG-CG 3.41Å; S676-E679 PolarHBondContact OG-OE2 3.06Å; S676-F680 WeakPolarHBondContact O-CD1 3.3Å; S676-F680 VanDerWaalsContact O-CE1 3.31Å; S676-F680 WeakPolarHBondContact O-CE1 3.22Å
677	E	83.1	Confident	88.8	Confident	71 Å²	71	41.9 Å²	41.9	33%	0.332	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-59.4	-37.4	-176.9	-67.7	176.6	159	0	0	112.3	R218 E679 F680 K768	R218-E677 IonicContact NH1-OE2 2.65Å; R218-E677 PolarHBondContact NH1-OE2 3.36Å; R218-E677 VanDerWaalsContact NH1-OE2 3.11Å; E677-E679 PolarHBondContact O-N 2.98Å; E677-F680 HydrophobicContact CB-CE2 4.26Å; E677-F680 HydrophobicContact CB-CZ 4.24Å; E677-F680 HydrophobicContact CG-CE1 4.4Å; E677-F680 HydrophobicContact CG-CE2 3.95Å; E677-F680 HydrophobicContact CG-CZ 3.75Å; E677-F680 WeakPolarHBondContact O-CB 3.49Å; E677-F680 VanDerWaalsContact O-CG 3.3Å; E677-F680 WeakPolarHBondContact O-CG 3.3Å; E677-F680 PolarHBondContact O-N 3.22Å; E677-K768 IonicContact OE1-NZ 3.62Å; E677-K768 PolarHBondContact OE1-NZ 3.46Å
678	G	79.5	Confident	88.6	Confident	52 Å²	52	41.7 Å²	41.7	54%	0.536	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68	-13.5	176.6	0	0	0	0	0	114.9	S676	S676-G678 VanDerWaalsContact C-N 3.28Å; S676-G678 PolarHBondContact O-N 2.94Å
679	E	84.7	Confident	88.3	Confident	82 Å²	82	44.4 Å²	44.4	38%	0.383	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-96.3	-5.8	178.4	-67.8	166.9	131.2	0	0	112.5	V675 S676 E677 R681 Q682 V683	V675-E679 HydrophobicContact CG1-CB 3.7Å; S676-E679 WeakPolarHBondContact CB-OE2 3.36Å; S676-E679 PolarHBondContact N-OE2 3.39Å; S676-E679 PolarHBondContact O-N 2.89Å; S676-E679 VanDerWaalsContact OG-CD 3.24Å; S676-E679 WeakPolarHBondContact OG-CG 3.41Å; S676-E679 PolarHBondContact OG-OE2 3.06Å; E677-E679 PolarHBondContact O-N 2.98Å; E679-R681 PolarHBondContact O-N 3.4Å; E679-Q682 PolarHBondContact O-N 3.1Å; E679-V683 HydrophobicContact CB-CG2 4.19Å; E679-V683 VanDerWaalsContact O-CB 3.27Å; E679-V683 WeakPolarHBondContact O-CB 3.43Å; E679-V683 WeakPolarHBondContact O-CG2 3.23Å; E679-V683 PolarHBondContact O-N 3.29Å
680	F	88.9	Confident	87.8	Confident	13 Å²	13	47.3 Å²	47.3	6%	0.057	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-47.7	-170.1	-76.6	1.5	0	0	0	113.2	L20 V675 S676 E677 L684 V710 N770 L772	L20-F680 HydrophobicContact CD1-CB 4.22Å; L20-F680 HydrophobicContact CD1-CD2 4.25Å; L20-F680 HydrophobicContact CD2-CB 4.32Å; V675-F680 HydrophobicContact CG1-CD1 3.92Å; V675-F680 HydrophobicContact CG1-CE1 4.24Å; S676-F680 WeakPolarHBondContact O-CD1 3.3Å; S676-F680 VanDerWaalsContact O-CE1 3.31Å; S676-F680 WeakPolarHBondContact O-CE1 3.22Å; E677-F680 HydrophobicContact CB-CE2 4.26Å; E677-F680 HydrophobicContact CB-CZ 4.24Å; E677-F680 HydrophobicContact CG-CE1 4.4Å; E677-F680 HydrophobicContact CG-CE2 3.95Å; E677-F680 HydrophobicContact CG-CZ 3.75Å; E677-F680 WeakPolarHBondContact O-CB 3.49Å; E677-F680 VanDerWaalsContact O-CG 3.3Å; E677-F680 WeakPolarHBondContact O-CG 3.3Å; E677-F680 PolarHBondContact O-N 3.22Å; F680-L684 WeakPolarHBondContact O-CB 3.34Å; F680-L684 PolarHBondContact O-N 2.72Å; F680-V710 HydrophobicContact CD1-CG1 4.44Å; F680-V710 HydrophobicContact CD1-CG2 4.43Å; F680-V710 HydrophobicContact CE1-CB 4.11Å; F680-V710 HydrophobicContact CE1-CG1 3.66Å; F680-V710 HydrophobicContact CE1-CG2 4.37Å; F680-V710 HydrophobicContact CZ-CB 4.44Å; F680-V710 HydrophobicContact CZ-CG1 4.17Å; F680-N770 HydrophobicContact CE2-CB 3.85Å; F680-N770 HydrophobicContact CZ-CB 4.08Å; F680-L772 HydrophobicContact CB-CD1 3.86Å; F680-L772 HydrophobicContact CB-CD2 4.11Å; F680-L772 HydrophobicContact CD1-CD1 4.29Å; F680-L772 HydrophobicContact CD2-CD2 3.49Å; F680-L772 VanDerWaalsContact CD2-CD2 3.49Å; F680-L772 HydrophobicContact CE2-CD2 3.96Å; F680-L772 HydrophobicContact CG-CD1 3.98Å; F680-L772 HydrophobicContact CG-CD2 3.81Å
681	R	86.9	Confident	87.3	Confident	75 Å²	75	47 Å²	47	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-49.3	-179.9	-74	178.7	171.6	161.4	-1.6	111.9	S18 L20 D157 E679 L684 R685	S18-R681 PolarHBondContact O-NE 3.45Å; L20-R681 HydrophobicContact CD2-CG 4.34Å; D157-R681 IonicContact OD1-NH1 3.92Å; D157-R681 IonicContact OD2-CZ 3.59Å; D157-R681 IonicContact OD2-NH1 3.15Å; D157-R681 PolarHBondContact OD2-NH1 3.13Å; E679-R681 PolarHBondContact O-N 3.4Å; R681-L684 PolarHBondContact O-N 3.21Å; R681-R685 WeakPolarHBondContact O-CB 3.49Å; R681-R685 PolarHBondContact O-N 2.77Å
682	Q	86	Confident	87	Confident	116 Å²	116	48.1 Å²	48.1	54%	0.542	26%	0.263	S	S	.	.	H	α-helix	trans	-61	-50.6	179.9	-179	-176.7	-4.7	0	0	111	E679 L684 R685 E686	E679-Q682 PolarHBondContact O-N 3.1Å; Q682-L684 VanDerWaalsContact C-N 3.33Å; Q682-L684 PolarHBondContact O-N 2.58Å; Q682-R685 PolarHBondContact O-N 2.72Å; Q682-E686 HydrophobicContact CG-CG 4.48Å; Q682-E686 VanDerWaalsContact CG-OE1 3.28Å; Q682-E686 WeakPolarHBondContact CG-OE1 3.37Å; Q682-E686 PolarHBondContact NE2-OE1 2.83Å; Q682-E686 WeakPolarHBondContact O-CG 3.38Å; Q682-E686 PolarHBondContact O-N 3.12Å
683	V	87	Confident	86.7	Confident	9 Å²	9	48 Å²	48	6%	0.055	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-39	-178.3	157.1	0	0	0	0	112.2	V675 E679 G687 Y708	V675-V683 HydrophobicContact CG1-CB 4.15Å; V675-V683 HydrophobicContact CG1-CG1 4.2Å; V675-V683 HydrophobicContact CG1-CG2 3.84Å; V675-V683 HydrophobicContact CG2-CG1 4.14Å; V675-V683 HydrophobicContact CG2-CG2 4.3Å; E679-V683 HydrophobicContact CB-CG2 4.19Å; E679-V683 VanDerWaalsContact O-CB 3.27Å; E679-V683 WeakPolarHBondContact O-CB 3.43Å; E679-V683 WeakPolarHBondContact O-CG2 3.23Å; E679-V683 PolarHBondContact O-N 3.29Å; V683-G687 WeakPolarHBondContact O-CA 3.42Å; V683-G687 PolarHBondContact O-N 2.97Å; V683-Y708 HydrophobicContact CG1-CE1 4.15Å; V683-Y708 WeakPolarHBondContact CG1-OH 3.48Å; V683-Y708 PolarHBondContact O-OH 3.09Å
684	L	91.3	Very high	86.3	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-52.2	174.4	174.2	62.7	0	0	0	110.6	I17 L20 F680 R681 Q682 E686 G687 L688 Y708 L772 Y773	I17-L684 HydrophobicContact CG2-CD2 3.97Å; I17-L684 HydrophobicContact CG2-CG 4.04Å; L20-L684 HydrophobicContact CD2-CD2 4Å; F680-L684 WeakPolarHBondContact O-CB 3.34Å; F680-L684 PolarHBondContact O-N 2.72Å; R681-L684 PolarHBondContact O-N 3.21Å; Q682-L684 VanDerWaalsContact C-N 3.33Å; Q682-L684 PolarHBondContact O-N 2.58Å; L684-E686 PolarHBondContact O-N 3.26Å; L684-G687 PolarHBondContact O-N 2.9Å; L684-L688 HydrophobicContact CD1-CB 4.38Å; L684-L688 WeakPolarHBondContact O-CB 3.46Å; L684-L688 PolarHBondContact O-N 3.25Å; L684-Y708 HydrophobicContact CD1-CD1 4.27Å; L684-Y708 HydrophobicContact CD1-CD2 4.13Å; L684-Y708 HydrophobicContact CD1-CG 3.85Å; L684-L772 HydrophobicContact CB-CD1 4.26Å; L684-L772 HydrophobicContact CD1-CB 4.25Å; L684-L772 HydrophobicContact CD2-CB 4.11Å; L684-Y773 HydrophobicContact CD1-CG 4.29Å
685	R	89.1	Confident	86.6	Confident	159 Å²	159	46.7 Å²	46.7	60%	0.6	26%	0.26	S	S	*	.	H	α-helix	trans	-56.9	-53.8	-178.2	-177	179.7	177.9	-179.8	0.7	111.1	R681 Q682 G687 C689	R681-R685 WeakPolarHBondContact O-CB 3.49Å; R681-R685 PolarHBondContact O-N 2.77Å; Q682-R685 PolarHBondContact O-N 2.72Å; R685-G687 PolarHBondContact O-N 2.94Å; R685-C689 WeakPolarHBondContact O-CB 3.46Å; R685-C689 PolarHBondContact O-N 3.05Å; R685-C689 PolarHBondContact O-SG 3.27Å
686	E	86.6	Confident	86.6	Confident	108 Å²	108	52 Å²	52	51%	0.505	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-45.5	179.5	-68.9	175.9	-168.2	0	0	111.7	Q682 L684 A690	Q682-E686 HydrophobicContact CG-CG 4.48Å; Q682-E686 VanDerWaalsContact CG-OE1 3.28Å; Q682-E686 WeakPolarHBondContact CG-OE1 3.37Å; Q682-E686 PolarHBondContact NE2-OE1 2.83Å; Q682-E686 WeakPolarHBondContact O-CG 3.38Å; Q682-E686 PolarHBondContact O-N 3.12Å; L684-E686 PolarHBondContact O-N 3.26Å; E686-A690 VanDerWaalsContact O-CB 3.31Å; E686-A690 WeakPolarHBondContact O-CB 3.38Å; E686-A690 PolarHBondContact O-N 3.46Å
687	G	86.5	Confident	86.8	Confident	17 Å²	17	53 Å²	53	18%	0.175	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-42.9	-178.2	0	0	0	0	0	113.2	V683 L684 R685 L691	V683-G687 WeakPolarHBondContact O-CA 3.42Å; V683-G687 PolarHBondContact O-N 2.97Å; L684-G687 PolarHBondContact O-N 2.9Å; R685-G687 PolarHBondContact O-N 2.94Å; G687-L691 VanDerWaalsContact O-CB 3.25Å; G687-L691 WeakPolarHBondContact O-CB 3.43Å; G687-L691 PolarHBondContact O-N 3.19Å
688	L	89.1	Confident	86.7	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-43.8	-179.7	-172.3	59.2	0	0	0	111	I17 L684 A690 L691 R692 I706 Y773	I17-L688 HydrophobicContact CD1-CD2 3.71Å; I17-L688 HydrophobicContact CD1-CG 4.31Å; I17-L688 HydrophobicContact CG1-CD2 4.06Å; I17-L688 HydrophobicContact CG2-CD2 4.18Å; L684-L688 HydrophobicContact CD1-CB 4.38Å; L684-L688 WeakPolarHBondContact O-CB 3.46Å; L684-L688 PolarHBondContact O-N 3.25Å; L688-A690 PolarHBondContact O-N 2.93Å; L688-L691 PolarHBondContact O-N 3.21Å; L688-R692 HydrophobicContact CD1-CG 4.29Å; L688-R692 HydrophobicContact CG-CG 4.45Å; L688-R692 WeakPolarHBondContact O-CB 3.35Å; L688-R692 VanDerWaalsContact O-CG 3.27Å; L688-R692 WeakPolarHBondContact O-CG 3.26Å; L688-R692 PolarHBondContact O-N 2.81Å; L688-I706 HydrophobicContact CD1-CB 4.29Å; L688-I706 HydrophobicContact CD1-CD1 3.71Å; L688-I706 HydrophobicContact CD1-CG2 3.93Å; L688-Y773 HydrophobicContact CD1-CD1 4.25Å; L688-Y773 HydrophobicContact CD1-CE1 4.14Å; L688-Y773 HydrophobicContact CD2-CD1 4.18Å; L688-Y773 HydrophobicContact CD2-CD2 3.93Å; L688-Y773 HydrophobicContact CD2-CE1 4.07Å; L688-Y773 HydrophobicContact CD2-CE2 3.79Å; L688-Y773 HydrophobicContact CD2-CG 4.11Å
689	C	87.5	Confident	86.9	Confident	58 Å²	58	52.8 Å²	52.8	39%	0.392	27%	0.274	S	S	.	.	H	α-helix	trans	-58.5	-47.2	173.8	-72.7	0	0	0	0	111.5	R685 L691 R692 A693	R685-C689 WeakPolarHBondContact O-CB 3.46Å; R685-C689 PolarHBondContact O-N 3.05Å; R685-C689 PolarHBondContact O-SG 3.27Å; C689-L691 PolarHBondContact O-N 3.42Å; C689-R692 PolarHBondContact O-N 3.29Å; C689-A693 VanDerWaalsContact O-CB 3.29Å; C689-A693 WeakPolarHBondContact O-CB 3.46Å; C689-A693 PolarHBondContact O-N 3.38Å
690	A	85.5	Confident	86.9	Confident	60 Å²	60	58.3 Å²	58.3	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-40.5	178.5	0	0	0	0	0	112.5	E686 L688 A694	E686-A690 VanDerWaalsContact O-CB 3.31Å; E686-A690 WeakPolarHBondContact O-CB 3.38Å; E686-A690 PolarHBondContact O-N 3.46Å; L688-A690 PolarHBondContact O-N 2.93Å; A690-A694 WeakPolarHBondContact O-CB 3.47Å; A690-A694 PolarHBondContact O-N 2.88Å
691	L	87.1	Confident	86.9	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-43.6	178	-178.4	56.1	0	0	0	111.6	L616 V650 I654 I668 L670 G687 L688 C689 A694 C695 I706	L616-L691 HydrophobicContact CD1-CD1 4.29Å; V650-L691 HydrophobicContact CG1-CD1 3.3Å; I654-L691 HydrophobicContact CD1-CD1 4.44Å; I668-L691 HydrophobicContact CD1-CD1 4.1Å; I668-L691 HydrophobicContact CG2-CD1 4.49Å; I668-L691 HydrophobicContact CG2-CD2 4.17Å; L670-L691 HydrophobicContact CD1-CD2 4.36Å; G687-L691 VanDerWaalsContact O-CB 3.25Å; G687-L691 WeakPolarHBondContact O-CB 3.43Å; G687-L691 PolarHBondContact O-N 3.19Å; L688-L691 PolarHBondContact O-N 3.21Å; C689-L691 PolarHBondContact O-N 3.42Å; L691-A694 WeakPolarHBondContact O-CB 3.46Å; L691-A694 PolarHBondContact O-N 2.56Å; L691-C695 PolarHBondContact O-N 2.72Å; L691-C695 PolarHBondContact O-SG 2.9Å; L691-I706 HydrophobicContact CB-CD1 4.5Å; L691-I706 HydrophobicContact CD2-CD1 3.69Å; L691-I706 HydrophobicContact CD2-CG1 4.04Å; L691-I706 HydrophobicContact CD2-CG2 3.7Å; L691-I706 HydrophobicContact CG-CD1 3.79Å
692	R	89.7	Confident	87	Confident	23 Å²	23	58.5 Å²	58.5	9%	0.087	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-43.7	175.6	-73.1	-71.6	-178.5	-152.9	0.5	112	L688 C689 A694 C695 R696 R703 P704 I706 D775	L688-R692 HydrophobicContact CD1-CG 4.29Å; L688-R692 HydrophobicContact CG-CG 4.45Å; L688-R692 WeakPolarHBondContact O-CB 3.35Å; L688-R692 VanDerWaalsContact O-CG 3.27Å; L688-R692 WeakPolarHBondContact O-CG 3.26Å; L688-R692 PolarHBondContact O-N 2.81Å; C689-R692 PolarHBondContact O-N 3.29Å; R692-A694 VanDerWaalsContact C-N 3.32Å; R692-A694 PolarHBondContact O-N 2.88Å; R692-C695 PolarHBondContact O-N 3.03Å; R692-R696 PolarHBondContact O-N 2.92Å; R692-R703 VanDerWaalsContact NH1-CG 3.29Å; R692-P704 PolarHBondContact NH1-O 2.87Å; R692-P704 PolarHBondContact NH2-O 2.82Å; R692-P704 VanDerWaalsContact NH2-O 3.1Å; R692-I706 HydrophobicContact CG-CD1 4.14Å; R692-D775 IonicContact CZ-OD2 3.96Å; R692-D775 IonicContact NH2-OD2 3.6Å; R692-D775 PolarHBondContact NH2-OD2 3.17Å
693	A	87.7	Confident	87.3	Confident	45 Å²	45	60.7 Å²	60.7	37%	0.372	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-40.1	174	0	0	0	0	0	111.9	C689 C695 R696 S697	C689-A693 VanDerWaalsContact O-CB 3.29Å; C689-A693 WeakPolarHBondContact O-CB 3.46Å; C689-A693 PolarHBondContact O-N 3.38Å; A693-C695 PolarHBondContact O-N 3.41Å; A693-R696 PolarHBondContact O-N 2.82Å; A693-S697 WeakPolarHBondContact O-CB 3.36Å; A693-S697 PolarHBondContact O-N 3.47Å
694	A	83.8	Confident	87.5	Confident	12 Å²	12	60.5 Å²	60.5	10%	0.099	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-39.5	175.1	0	0	0	0	0	112.4	V650 I654 A690 L691 R692 S697	V650-A694 HydrophobicContact CB-CB 4.08Å; V650-A694 HydrophobicContact CG1-CB 3.65Å; I654-A694 HydrophobicContact CD1-CB 4.42Å; A690-A694 WeakPolarHBondContact O-CB 3.47Å; A690-A694 PolarHBondContact O-N 2.88Å; L691-A694 WeakPolarHBondContact O-CB 3.46Å; L691-A694 PolarHBondContact O-N 2.56Å; R692-A694 VanDerWaalsContact C-N 3.32Å; R692-A694 PolarHBondContact O-N 2.88Å; A694-S697 PolarHBondContact O-OG 2.98Å
695	C	88	Confident	87.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-51.3	174.2	-62	0	0	0	0	111.1	L691 R692 A693 S697 L698 D699 Y702	L691-C695 PolarHBondContact O-N 2.72Å; L691-C695 PolarHBondContact O-SG 2.9Å; R692-C695 PolarHBondContact O-N 3.03Å; A693-C695 PolarHBondContact O-N 3.41Å; C695-S697 PolarHBondContact O-N 3.34Å; C695-L698 WeakPolarHBondContact O-CB 2.78Å; C695-L698 PolarHBondContact O-N 3.17Å; C695-D699 PolarHBondContact O-N 2.94Å; C695-Y702 HydrophobicContact CB-CD1 3.65Å; C695-Y702 HydrophobicContact CB-CE1 3.91Å; C695-Y702 WeakPolarHBondContact CB-O 3.36Å
696	R	87.9	Confident	88	Confident	121 Å²	121	53.6 Å²	53.6	46%	0.457	30%	0.299	S	S	.	.	H	α-helix	trans	-60.6	-29.7	178.7	-71.4	-168.7	-62.3	-96.7	2.7	113.8	R692 A693 L698 D699 K700	R692-R696 PolarHBondContact O-N 2.92Å; A693-R696 PolarHBondContact O-N 2.82Å; R696-L698 PolarHBondContact O-N 3.27Å; R696-D699 WeakPolarHBondContact CA-O 3.35Å; R696-D699 CarbonylContact O-C 3.18Å; R696-D699 VanDerWaalsContact O-C 3.23Å; R696-D699 PolarHBondContact O-N 3.33Å; R696-K700 PolarHBondContact O-N 2.85Å
697	S	86.2	Confident	88.5	Confident	80 Å²	80	48.5 Å²	48.5	56%	0.559	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.5	176.1	76.3	0	0	0	0	114	A693 A694 C695	A693-S697 WeakPolarHBondContact O-CB 3.36Å; A693-S697 PolarHBondContact O-N 3.47Å; A694-S697 PolarHBondContact O-OG 2.98Å; C695-S697 PolarHBondContact O-N 3.34Å
698	L	82.3	Confident	89	Confident	47 Å²	47	47.8 Å²	47.8	25%	0.246	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-34.2	174.3	-59.4	-179.4	0	0	0	111.7	I654 R655 C695 R696	I654-L698 HydrophobicContact CB-CD1 3.71Å; I654-L698 HydrophobicContact CG2-CD1 3.27Å; R655-L698 HydrophobicContact CG-CD1 4.21Å; R655-L698 HydrophobicContact CG-CD2 3.42Å; R655-L698 VanDerWaalsContact CG-CD2 3.42Å; R655-L698 HydrophobicContact CG-CG 4.47Å; C695-L698 WeakPolarHBondContact O-CB 2.78Å; C695-L698 PolarHBondContact O-N 3.17Å; R696-L698 PolarHBondContact O-N 3.27Å
699	D	83.4	Confident	89.5	Confident	71 Å²	71	47.6 Å²	47.6	38%	0.38	27%	0.266	S	S	.	.			trans	-165.6	127.9	178.4	174.2	-6	0	0	0	108.5	K664 C695 R696 G701 Y702	K664-D699 IonicContact NZ-OD2 3.73Å; K664-D699 PolarHBondContact NZ-OD2 2.99Å; C695-D699 PolarHBondContact O-N 2.94Å; R696-D699 WeakPolarHBondContact CA-O 3.35Å; R696-D699 CarbonylContact O-C 3.18Å; R696-D699 VanDerWaalsContact O-C 3.23Å; R696-D699 PolarHBondContact O-N 3.33Å; D699-G701 PolarHBondContact O-N 3.01Å; D699-G701 VanDerWaalsContact O-N 3.14Å; D699-G701 PolarHBondContact OD1-N 3.48Å; D699-G701 VanDerWaalsContact OD1-N 3.15Å; D699-Y702 WeakPolarHBondContact O-CB 3.48Å; D699-Y702 PolarHBondContact O-N 2.83Å
700	K	85.6	Confident	89.9	Confident	198 Å²	198	44.8 Å²	44.8	86%	0.861	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-34.4	-172.8	-68.5	-175.6	178.2	-179.1	0	112.2	R696	R696-K700 PolarHBondContact O-N 2.85Å
701	G	87.7	Confident	90.4	Very high	66 Å²	66	42 Å²	42	68%	0.68	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.8	-179.9	0	0	0	0	0	115	D699 R703	D699-G701 PolarHBondContact O-N 3.01Å; D699-G701 VanDerWaalsContact O-N 3.14Å; D699-G701 PolarHBondContact OD1-N 3.48Å; D699-G701 VanDerWaalsContact OD1-N 3.15Å; G701-R703 PolarHBondContact O-N 3.1Å; G701-R703 VanDerWaalsContact O-N 3.15Å
702	Y	89.9	Confident	90.8	Very high	26 Å²	26	43 Å²	43	10%	0.102	23%	0.229	C	C	.	.			trans	-75.9	108	-172	177.3	-127.9	0	0	0	112.4	I654 K664 P665 C695 D699 P704	I654-Y702 HydrophobicContact CG2-CE1 4.05Å; K664-Y702 HydrophobicContact CB-CD2 4.33Å; K664-Y702 HydrophobicContact CB-CE1 4.44Å; K664-Y702 HydrophobicContact CB-CE2 3.76Å; K664-Y702 HydrophobicContact CD-CD1 4.41Å; K664-Y702 HydrophobicContact CD-CD2 4.21Å; K664-Y702 HydrophobicContact CD-CE2 4.45Å; K664-Y702 HydrophobicContact CD-CG 4.2Å; P665-Y702 VanDerWaalsContact CD-OH 3.27Å; P665-Y702 WeakPolarHBondContact CD-OH 3.25Å; P665-Y702 VanDerWaalsContact O-CE2 3.31Å; P665-Y702 WeakPolarHBondContact O-CE2 3.36Å; P665-Y702 PolarHBondContact O-OH 2.99Å; C695-Y702 HydrophobicContact CB-CD1 3.65Å; C695-Y702 HydrophobicContact CB-CE1 3.91Å; C695-Y702 WeakPolarHBondContact CB-O 3.36Å; D699-Y702 WeakPolarHBondContact O-CB 3.48Å; D699-Y702 PolarHBondContact O-N 2.83Å; Y702-P704 HydrophobicContact CE1-CG 4.07Å; Y702-P704 HydrophobicContact CE2-CB 3.97Å; Y702-P704 HydrophobicContact CE2-CG 3.91Å
703	R	90.8	Very high	90.7	Very high	162 Å²	162	44.3 Å²	44.3	61%	0.611	24%	0.235	S	C	*	.			trans	-132.5	72.7	-176.2	-168	-178.7	172.3	136.6	-1.9	111.5	R692 G701	R692-R703 VanDerWaalsContact NH1-CG 3.29Å; G701-R703 PolarHBondContact O-N 3.1Å; G701-R703 VanDerWaalsContact O-N 3.15Å
704	P	92.8	Very high	90.6	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.039	26%	0.255	C	S	.	.			trans	-66.7	158.8	179.1	30.4	-36.7	0	0	0	111.9	P665 S666 I668 R692 Y702	P665-P704 WeakPolarHBondContact O-CB 3.27Å; S666-P704 WeakPolarHBondContact O-CA 3.27Å; S666-P704 VanDerWaalsContact O-CB 3.27Å; S666-P704 WeakPolarHBondContact O-CB 3.33Å; I668-P704 HydrophobicContact CD1-CB 4.44Å; I668-P704 HydrophobicContact CD1-CG 3.67Å; I668-P704 HydrophobicContact CG1-CB 4.29Å; I668-P704 HydrophobicContact CG1-CG 4.05Å; R692-P704 PolarHBondContact NH1-O 2.87Å; R692-P704 PolarHBondContact NH2-O 2.82Å; R692-P704 VanDerWaalsContact NH2-O 3.1Å; Y702-P704 HydrophobicContact CE1-CG 4.07Å; Y702-P704 HydrophobicContact CE2-CB 3.97Å; Y702-P704 HydrophobicContact CE2-CG 3.91Å
705	G	94.6	Very high	91	Very high	17 Å²	17	52.8 Å²	52.8	18%	0.175	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.7	171.6	0	0	0	0	0	111	S666 I668 N776	S666-G705 PolarHBondContact O-N 3.46Å; S666-G705 VanDerWaalsContact O-N 3.13Å; I668-G705 PolarHBondContact N-O 3.28Å; G705-N776 WeakPolarHBondContact CA-OD1 3.4Å; G705-N776 PolarHBondContact O-ND2 2.92Å; G705-N776 PolarHBondContact O-OD1 3.45Å
706	I	95.5	Very high	91.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.3	-177.9	-63.6	170.9	0	0	0	110.4	I668 L688 L691 R692 Y773 D774 D775 N776	I668-I706 HydrophobicContact CB-CG1 4.4Å; I668-I706 CarbonylContact O-C 3.59Å; I668-I706 WeakPolarHBondContact O-CA 3.29Å; L688-I706 HydrophobicContact CD1-CB 4.29Å; L688-I706 HydrophobicContact CD1-CD1 3.71Å; L688-I706 HydrophobicContact CD1-CG2 3.93Å; L691-I706 HydrophobicContact CB-CD1 4.5Å; L691-I706 HydrophobicContact CD2-CD1 3.69Å; L691-I706 HydrophobicContact CD2-CG1 4.04Å; L691-I706 HydrophobicContact CD2-CG2 3.7Å; L691-I706 HydrophobicContact CG-CD1 3.79Å; R692-I706 HydrophobicContact CG-CD1 4.14Å; I706-Y773 HydrophobicContact CB-CE1 4.37Å; I706-Y773 HydrophobicContact CG2-CD1 4.45Å; I706-Y773 WeakPolarHBondContact O-CD1 3.48Å; I706-D774 CarbonylContact O-C 3.55Å; I706-D774 WeakPolarHBondContact O-CA 3.15Å; I706-D775 PolarHBondContact O-N 3.07Å; I706-N776 PolarHBondContact N-ND2 3.39Å
707	T	97.6	Very high	91.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.7	164.1	-46.8	0	0	0	0	108.8	I668 L670 V709 V771 Y773 D774 N776 L778 M783	I668-T707 PolarHBondContact O-N 2.78Å; L670-T707 PolarHBondContact N-O 2.81Å; T707-V709 HydrophobicContact CG2-CG2 3.92Å; T707-V771 HydrophobicContact CG2-CG1 3.98Å; T707-Y773 CarbonylContact C-O 3.55Å; T707-Y773 WeakPolarHBondContact CA-O 3.47Å; T707-D774 WeakPolarHBondContact CB-OD1 3.43Å; T707-D774 HydrophobicContact CG2-CB 4.13Å; T707-D774 PolarHBondContact OG1-OD1 3.49Å; T707-N776 PolarHBondContact N-ND2 2.83Å; T707-N776 PolarHBondContact OG1-ND2 3.42Å; T707-L778 HydrophobicContact CG2-CD1 4.06Å; T707-L778 WeakPolarHBondContact OG1-CD1 3.13Å; T707-M783 HydrophobicContact CG2-SD 4.01Å
708	Y	97	Very high	92.4	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.7	179.5	-161.4	-70.9	0	0	0	110.2	L670 R672 V683 L684 V710 L772 Y773	L670-Y708 HydrophobicContact CD1-CD2 4.48Å; L670-Y708 HydrophobicContact CD1-CE2 4.21Å; L670-Y708 HydrophobicContact CD2-CD1 4.42Å; L670-Y708 HydrophobicContact CD2-CD2 4Å; L670-Y708 HydrophobicContact CD2-CE1 4.14Å; L670-Y708 HydrophobicContact CD2-CE2 3.72Å; L670-Y708 HydrophobicContact CD2-CG 4.36Å; R672-Y708 HydrophobicContact CB-CE1 4.37Å; R672-Y708 WeakPolarHBondContact CD-OH 3.28Å; R672-Y708 PolarHBondContact NH1-OH 3.49Å; V683-Y708 HydrophobicContact CG1-CE1 4.15Å; V683-Y708 WeakPolarHBondContact CG1-OH 3.48Å; V683-Y708 PolarHBondContact O-OH 3.09Å; L684-Y708 HydrophobicContact CD1-CD1 4.27Å; L684-Y708 HydrophobicContact CD1-CD2 4.13Å; L684-Y708 HydrophobicContact CD1-CG 3.85Å; Y708-V710 HydrophobicContact CD1-CG2 4.45Å; Y708-V710 HydrophobicContact CE1-CG2 4.01Å; Y708-L772 HydrophobicContact CD1-CB 4.35Å; Y708-L772 HydrophobicContact CD1-CD1 4.2Å; Y708-L772 HydrophobicContact CD1-CG 4.44Å; Y708-L772 HydrophobicContact CE1-CD1 4.33Å; Y708-L772 PolarHBondContact O-N 3.4Å; Y708-Y773 PolarHBondContact N-O 3.03Å
709	V	98.1	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.8	-174.9	-169.3	0	0	0	0	109.9	L670 F671 R672 T707 Y769 N770 V771 M783	L670-V709 PolarHBondContact O-N 2.86Å; F671-V709 CarbonylContact C-O 3.28Å; F671-V709 VanDerWaalsContact CA-O 3.3Å; F671-V709 WeakPolarHBondContact CA-O 3.25Å; F671-V709 HydrophobicContact CD1-CB 3.75Å; F671-V709 HydrophobicContact CD1-CG1 3.85Å; F671-V709 HydrophobicContact CD1-CG2 4.31Å; F671-V709 HydrophobicContact CE1-CB 4.05Å; F671-V709 HydrophobicContact CE1-CG1 3.98Å; F671-V709 HydrophobicContact CE1-CG2 4.18Å; F671-V709 HydrophobicContact CG-CB 4.46Å; R672-V709 PolarHBondContact N-O 2.93Å; T707-V709 HydrophobicContact CG2-CG2 3.92Å; V709-Y769 HydrophobicContact CG1-CD1 4.08Å; V709-N770 CarbonylContact C-O 3.6Å; V709-N770 WeakPolarHBondContact CA-O 3.46Å; V709-V771 HydrophobicContact CG2-CG2 4.22Å; V709-M783 HydrophobicContact CG2-CE 4.4Å; V709-M783 HydrophobicContact CG2-SD 4.01Å
710	V	96.5	Very high	93.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.4	168.7	173.9	0	0	0	0	109.7	R672 V675 F680 Y708 Q712 Y769 N770 L772	R672-V710 CarbonylContact O-C 3.56Å; R672-V710 WeakPolarHBondContact O-CA 3.43Å; V675-V710 HydrophobicContact CB-CG1 3.96Å; F680-V710 HydrophobicContact CD1-CG1 4.44Å; F680-V710 HydrophobicContact CD1-CG2 4.43Å; F680-V710 HydrophobicContact CE1-CB 4.11Å; F680-V710 HydrophobicContact CE1-CG1 3.66Å; F680-V710 HydrophobicContact CE1-CG2 4.37Å; F680-V710 HydrophobicContact CZ-CB 4.44Å; F680-V710 HydrophobicContact CZ-CG1 4.17Å; Y708-V710 HydrophobicContact CD1-CG2 4.45Å; Y708-V710 HydrophobicContact CE1-CG2 4.01Å; V710-Q712 HydrophobicContact CG1-CG 3.91Å; V710-Y769 CarbonylContact O-C 3.36Å; V710-Y769 WeakPolarHBondContact O-CA 3.25Å; V710-N770 PolarHBondContact N-O 3.39Å; V710-N770 PolarHBondContact O-N 2.86Å; V710-L772 HydrophobicContact CB-CD1 4.42Å; V710-L772 HydrophobicContact CG2-CD1 3.49Å; V710-L772 VanDerWaalsContact CG2-CD1 3.49Å; V710-L772 HydrophobicContact CG2-CG 4.04Å
711	V	97.5	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.3	177.8	-170.4	0	0	0	0	108.7	F671 R672 D673 A767 K768 Y769 I803	F671-V711 HydrophobicContact CB-CG2 4.11Å; F671-V711 HydrophobicContact CD1-CG2 3.75Å; F671-V711 HydrophobicContact CG-CG2 4.41Å; R672-V711 PolarHBondContact O-N 2.79Å; D673-V711 WeakPolarHBondContact CA-O 3.4Å; V711-A767 HydrophobicContact CG1-CB 4.08Å; V711-K768 CarbonylContact C-O 3.59Å; V711-K768 WeakPolarHBondContact CA-O 3.41Å; V711-Y769 HydrophobicContact CG1-CD1 4.34Å; V711-Y769 HydrophobicContact CG1-CE1 4.01Å; V711-Y769 HydrophobicContact CG1-CE2 4.45Å; V711-Y769 HydrophobicContact CG2-CD1 3.79Å; V711-Y769 HydrophobicContact CG2-CE1 3.76Å; V711-I803 HydrophobicContact CG1-CB 4.1Å; V711-I803 HydrophobicContact CG1-CG2 3.5Å
712	Q	94.3	Very high	94.8	Very high	25 Å²	25	36.3 Å²	36.3	12%	0.117	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.4	-177.5	-61.4	179.5	-54.5	0	0	110.4	V675 V710 H715 K768 N770	V675-Q712 PolarHBondContact O-NE2 3.49Å; V710-Q712 HydrophobicContact CG1-CG 3.91Å; Q712-H715 PolarHBondContact O-CD2 3.31Å; Q712-H715 PolarHBondContact O-NE2 3.01Å; Q712-K768 HydrophobicContact CB-CB 4.36Å; Q712-K768 PolarHBondContact N-O 2.93Å; Q712-K768 PolarHBondContact O-N 3.04Å; Q712-N770 PolarHBondContact OE1-ND2 2.84Å
713	K	88	Confident	95.2	Very high	50 Å²	50	38.9 Å²	38.9	22%	0.217	17%	0.171	C	C	.	.			trans	-93.6	-6.8	174	69.5	-167.1	178	-157.2	0	114	D673 K765	D673-K713 WeakPolarHBondContact OD2-CD 3.34Å; D673-K713 WeakPolarHBondContact OD2-CE 3.31Å; D673-K713 IonicContact OD2-NZ 3.12Å; D673-K713 PolarHBondContact OD2-NZ 3.3Å; K713-K765 WeakPolarHBondContact O-CE 3.49Å; K713-K765 PolarHBondContact O-NZ 3.16Å
714	R	85.4	Confident	95.4	Very high	210 Å²	210	34.6 Å²	34.6	79%	0.792	16%	0.16	S	C	*	.			trans	-105.9	49.4	-172.4	-64.8	-173.6	-177	163.4	3.2	113.2
715	H	92.9	Very high	95.5	Very high	25 Å²	25	38.8 Å²	38.8	12%	0.116	19%	0.19	C	C	.	.			trans	-113.4	177.3	171	59.8	74.7	0	0	0	112.4	Q712 A717 Y753 K765 P766 K768	Q712-H715 PolarHBondContact O-CD2 3.31Å; Q712-H715 PolarHBondContact O-NE2 3.01Å; H715-A717 PolarHBondContact ND1-N 3.32Å; H715-Y753 AromaticContact CE1-CD1 3.91Å; H715-Y753 AromaticContact CE1-CE1 3.72Å; H715-Y753 AromaticContact ND1-CE1 4Å; H715-Y753 AromaticContact NE2-CD1 3.94Å; H715-Y753 AromaticContact NE2-CE1 3.83Å; H715-K765 WeakPolarHBondContact O-CE 3.47Å; H715-K765 PolarHBondContact O-NZ 3.44Å; H715-P766 PolarHBondContact CE1-O 3.17Å; H715-P766 PolarHBondContact NE2-O 3.27Å; H715-K768 PolarHBondContact NE2-N 3.37Å
716	H	95.2	Very high	95.6	Very high	51 Å²	51	41.7 Å²	41.7	24%	0.236	20%	0.201	C	C	.	.			trans	-108	-2.3	-179	-76.5	-88.3	0	0	0	114.5	N38 F214 N228 D230 R718	N38-H716 PolarHBondContact ND2-O 2.85Å; F214-H716 HydrophobicContact CD1-CB 3.56Å; F214-H716 AromaticContact CD1-CD2 3.65Å; F214-H716 AromaticContact CD1-CG 3.36Å; F214-H716 AromaticContact CD1-ND1 3.77Å; F214-H716 AromaticContact CD2-CD2 3.67Å; F214-H716 AromaticContact CD2-CE1 3.78Å; F214-H716 AromaticContact CD2-NE2 3.5Å; F214-H716 HydrophobicContact CE1-CB 3.49Å; F214-H716 VanDerWaalsContact CE1-CB 3.49Å; F214-H716 AromaticContact CE1-CD2 3.41Å; F214-H716 VanDerWaalsContact CE1-CD2 3.41Å; F214-H716 WeakPolarHBondContact CE1-CD2 3.15Å; F214-H716 AromaticContact CE1-CG 3.45Å; F214-H716 VanDerWaalsContact CE1-CG 3.45Å; F214-H716 AromaticContact CE2-CD2 3.42Å; F214-H716 VanDerWaalsContact CE2-CD2 3.42Å; F214-H716 WeakPolarHBondContact CE2-CD2 3.42Å; F214-H716 AromaticContact CE2-NE2 3.55Å; F214-H716 HydrophobicContact CG-CB 4.38Å; F214-H716 AromaticContact CG-CD2 3.78Å; F214-H716 AromaticContact CG-CE1 3.74Å; F214-H716 AromaticContact CG-CG 3.7Å; F214-H716 AromaticContact CG-ND1 3.71Å; F214-H716 AromaticContact CG-NE2 3.85Å; F214-H716 HydrophobicContact CZ-CB 4.26Å; F214-H716 AromaticContact CZ-CD2 3.28Å; F214-H716 WeakPolarHBondContact CZ-CD2 3.3Å; F214-H716 AromaticContact CZ-CG 3.85Å; F214-H716 AromaticContact CZ-NE2 3.95Å; N228-H716 WeakPolarHBondContact OD1-CA 3.43Å; N228-H716 WeakPolarHBondContact OD1-CB 3.38Å; D230-H716 HydrophobicContact CB-CB 3.84Å; D230-H716 IonicContact OD2-CG 2.63Å; D230-H716 IonicContact OD2-ND1 2.61Å; D230-H716 PolarHBondContact OD2-ND1 3.42Å; D230-H716 VanDerWaalsContact OD2-ND1 3.12Å; H716-R718 PolarHBondContact O-N 3.44Å; H716-R718 PolarHBondContact O-NH1 3.1Å
717	A	97.3	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.			trans	-54.6	128.8	173.4	0	0	0	0	0	112.4	N38 F39 N228 H715 F719 Y753	N38-A717 WeakPolarHBondContact OD1-CA 3.46Å; F39-A717 HydrophobicContact CE2-CB 3.72Å; F39-A717 HydrophobicContact CZ-CB 4.12Å; N228-A717 PolarHBondContact OD1-N 3.42Å; N228-A717 VanDerWaalsContact OD1-N 3.1Å; H715-A717 PolarHBondContact ND1-N 3.32Å; A717-F719 HydrophobicContact CB-CE2 4.04Å; A717-F719 HydrophobicContact CB-CZ 4.22Å; A717-Y753 HydrophobicContact CB-CD1 4.29Å; A717-Y753 HydrophobicContact CB-CE1 3.61Å
718	R	97.3	Very high	95.6	Very high	25 Å²	25	44.1 Å²	44.1	9%	0.094	22%	0.218	C	C	.	.			trans	-137.1	152.9	173.4	-65.5	-60.2	-178.9	-64.8	-19.2	108.6	S37 N38 D230 L390 H716 T763 S764	S37-R718 CarbonylContact C-O 3.53Å; S37-R718 WeakPolarHBondContact CA-O 3.46Å; N38-R718 HydrophobicContact CB-CB 4.47Å; N38-R718 PolarHBondContact N-O 3.48Å; N38-R718 PolarHBondContact OD1-N 2.96Å; N38-R718 PolarHBondContact OD1-O 3.39Å; D230-R718 IonicContact OD2-CZ 3.87Å; D230-R718 IonicContact OD2-NH2 2.92Å; L390-R718 HydrophobicContact CD1-CB 4.48Å; H716-R718 PolarHBondContact O-N 3.44Å; H716-R718 PolarHBondContact O-NH1 3.1Å; R718-T763 HydrophobicContact CB-CG2 4.38Å; R718-T763 HydrophobicContact CG-CG2 4.42Å; R718-S764 WeakPolarHBondContact CD-O 3.46Å
719	F	98.2	Very high	95.4	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.1	-176.1	-54.4	-90.3	0	0	0	109.5	V36 V422 A717 I734 I740 V744 Y753 P766	V36-F719 WeakPolarHBondContact O-CA 3.3Å; V422-F719 HydrophobicContact CG2-CD1 3.95Å; V422-F719 HydrophobicContact CG2-CE1 4.08Å; A717-F719 HydrophobicContact CB-CE2 4.04Å; A717-F719 HydrophobicContact CB-CZ 4.22Å; F719-I734 HydrophobicContact CB-CD1 4.05Å; F719-I734 HydrophobicContact CB-CG2 4.18Å; F719-I740 HydrophobicContact CD1-CD1 4.32Å; F719-I740 HydrophobicContact CD1-CG1 4.33Å; F719-I740 HydrophobicContact CD2-CD1 4.15Å; F719-I740 HydrophobicContact CE1-CD1 4.28Å; F719-I740 HydrophobicContact CE1-CG1 4.13Å; F719-I740 HydrophobicContact CE1-CG2 4.37Å; F719-I740 HydrophobicContact CE2-CD1 4.11Å; F719-I740 HydrophobicContact CG-CD1 4.25Å; F719-I740 HydrophobicContact CZ-CD1 4.17Å; F719-I740 HydrophobicContact CZ-CG1 4.35Å; F719-V744 HydrophobicContact CE1-CG2 4.01Å; F719-V744 HydrophobicContact CZ-CG2 4.13Å; F719-Y753 HydrophobicContact CE2-CD1 4.38Å; F719-Y753 HydrophobicContact CE2-CG 4.2Å; F719-Y753 HydrophobicContact CZ-CD2 4.1Å; F719-Y753 HydrophobicContact CZ-CE2 4.5Å; F719-Y753 HydrophobicContact CZ-CG 4.15Å; F719-P766 HydrophobicContact CD2-CG 3.76Å; F719-P766 HydrophobicContact CE2-CG 4.02Å
720	M	97.3	Very high	95.1	Very high	39 Å²	39	56.6 Å²	56.6	19%	0.192	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.7	167.7	70.7	-179.4	-179.3	0	0	109.7	L35 V36 A386 P387 L390	L35-M720 CarbonylContact C-O 3.57Å; L35-M720 VanDerWaalsContact CA-O 3.3Å; L35-M720 WeakPolarHBondContact CA-O 3.17Å; V36-M720 HydrophobicContact CB-CE 3.65Å; V36-M720 HydrophobicContact CB-CG 3.97Å; V36-M720 HydrophobicContact CG1-CE 3.85Å; V36-M720 HydrophobicContact CG2-CE 3.95Å; V36-M720 PolarHBondContact N-O 2.98Å; V36-M720 PolarHBondContact O-N 2.92Å; A386-M720 HydrophobicContact CB-CB 3.92Å; P387-M720 HydrophobicContact CB-SD 4.24Å; P387-M720 HydrophobicContact CG-SD 4.42Å; L390-M720 HydrophobicContact CB-SD 4.2Å; L390-M720 HydrophobicContact CD2-CE 3.88Å; L390-M720 HydrophobicContact CD2-CG 3.84Å; L390-M720 HydrophobicContact CD2-SD 3.77Å; L390-M720 HydrophobicContact CG-SD 4.46Å
721	C	98.2	Very high	95	Very high	10 Å²	10	57 Å²	57	7%	0.068	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	136.8	170.8	-55.6	0	0	0	0	109.4	D723 A727	C721-D723 WeakPolarHBondContact CB-O 3.32Å; C721-A727 HydrophobicContact CB-CB 4.48Å
722	K	97.4	Very high	94.9	Very high	111 Å²	111	61.9 Å²	61.9	48%	0.483	31%	0.31	S	S	.	.	S	Bend	trans	-69.3	-43.5	170	-174.6	176.1	179.8	171.8	0	110.4	Q34 V36 E421	Q34-K722 HydrophobicContact CB-CB 4.04Å; Q34-K722 HydrophobicContact CB-CD 4.2Å; Q34-K722 WeakPolarHBondContact O-CB 3.36Å; Q34-K722 PolarHBondContact O-N 2.77Å; V36-K722 HydrophobicContact CG2-CB 4.18Å; V36-K722 HydrophobicContact CG2-CG 4.37Å; E421-K722 WeakPolarHBondContact OE1-CE 3.4Å; E421-K722 IonicContact OE1-NZ 2.68Å; E421-K722 PolarHBondContact OE1-NZ 2.76Å; E421-K722 IonicContact OE2-NZ 3.67Å; E421-K722 PolarHBondContact OE2-NZ 2.84Å
723	D	97.3	Very high	95.1	Very high	81 Å²	81	60.7 Å²	60.7	43%	0.433	31%	0.305	S	S	.	.	S	Bend	trans	-89.2	113.1	168	179.2	-1	0	0	0	109.4	C721 S725 L726	C721-D723 WeakPolarHBondContact CB-O 3.32Å; D723-S725 PolarHBondContact O-N 2.67Å; D723-S725 WeakPolarHBondContact OD1-CB 3.39Å; D723-S725 PolarHBondContact OD1-N 3.39Å; D723-S725 PolarHBondContact OD1-OG 3.47Å; D723-S725 PolarHBondContact OD2-OG 3.08Å; D723-L726 HydrophobicContact CB-CD1 4.31Å; D723-L726 HydrophobicContact CB-CG 4.42Å; D723-L726 PolarHBondContact O-N 3.46Å
724	D	94.6	Very high	95.5	Very high	72 Å²	72	58.4 Å²	58.4	39%	0.385	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-66.9	-22.7	-177.9	-172	64.8	0	0	0	114	L726 A727 R732	D724-L726 PolarHBondContact O-N 3.04Å; D724-L726 VanDerWaalsContact O-N 3.15Å; D724-A727 WeakPolarHBondContact O-CB 3.35Å; D724-A727 PolarHBondContact O-N 2.7Å; D724-R732 IonicContact OD1-CZ 3.43Å; D724-R732 IonicContact OD1-NE 3.99Å; D724-R732 PolarHBondContact OD1-NE 3.04Å; D724-R732 IonicContact OD1-NH2 3.89Å; D724-R732 PolarHBondContact OD1-NH2 2.83Å; D724-R732 IonicContact OD2-CZ 2.8Å; D724-R732 VanDerWaalsContact OD2-CZ 3.22Å; D724-R732 IonicContact OD2-NE 3.12Å; D724-R732 PolarHBondContact OD2-NE 2.84Å; D724-R732 IonicContact OD2-NH2 3.6Å; D724-R732 PolarHBondContact OD2-NH2 3.16Å
725	S	96.5	Very high	96.1	Very high	94 Å²	94	49 Å²	49	66%	0.657	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-62.8	-22.1	177.7	73.8	0	0	0	0	112.6	D723	D723-S725 PolarHBondContact O-N 2.67Å; D723-S725 WeakPolarHBondContact OD1-CB 3.39Å; D723-S725 PolarHBondContact OD1-N 3.39Å; D723-S725 PolarHBondContact OD1-OG 3.47Å; D723-S725 PolarHBondContact OD2-OG 3.08Å
726	L	96.5	Very high	96.4	Very high	78 Å²	78	47.9 Å²	47.9	41%	0.408	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-89.1	-4.6	176.6	-57.3	178.9	0	0	0	113.1	I33 D723 D724 P735	I33-L726 HydrophobicContact CD1-CB 3.99Å; I33-L726 HydrophobicContact CD1-CD1 3.86Å; I33-L726 HydrophobicContact CG1-CD1 3.79Å; D723-L726 HydrophobicContact CB-CD1 4.31Å; D723-L726 HydrophobicContact CB-CG 4.42Å; D723-L726 PolarHBondContact O-N 3.46Å; D724-L726 PolarHBondContact O-N 3.04Å; D724-L726 VanDerWaalsContact O-N 3.15Å; L726-P735 WeakPolarHBondContact O-CG 3.27Å
727	A	96.6	Very high	96.5	Very high	26 Å²	26	45.5 Å²	45.5	22%	0.215	25%	0.245	C	C	.	.			trans	-75.1	142.9	-179	0	0	0	0	0	111.7	C721 D724 R732 N733	C721-A727 HydrophobicContact CB-CB 4.48Å; D724-A727 WeakPolarHBondContact O-CB 3.35Å; D724-A727 PolarHBondContact O-N 2.7Å; A727-R732 HydrophobicContact CB-CB 4.01Å; A727-N733 WeakPolarHBondContact CA-O 3.15Å
728	V	95.1	Very high	96.6	Very high	24 Å²	24	45.5 Å²	45.5	15%	0.145	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-116.4	132.4	-170.2	-177.2	0	0	0	0	112.2	N447 N733 P735 T758	N447-V728 HydrophobicContact CB-CG1 3.99Å; V728-N733 PolarHBondContact N-O 2.95Å; V728-N733 PolarHBondContact O-N 3.27Å; V728-P735 HydrophobicContact CG2-CB 4.18Å; V728-P735 HydrophobicContact CG2-CG 3.98Å; V728-T758 HydrophobicContact CG1-CG2 4.29Å
729	G	93	Very high	96.7	Very high	53 Å²	53	44.3 Å²	44.3	55%	0.546	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-176.1	171	0	0	0	0	0	114.3	G731 R732	G729-G731 PolarHBondContact O-N 3.49Å; G729-G731 VanDerWaalsContact O-N 3.14Å; G729-R732 PolarHBondContact O-N 3.45Å
730	K	91.8	Very high	96.7	Very high	212 Å²	212	44.2 Å²	44.2	92%	0.922	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.5	-177	-65.8	-171.8	177.4	-172.6	0	113.8	R732	K730-R732 VanDerWaalsContact C-N 3.28Å
731	G	94.1	Very high	96.7	Very high	8 Å²	8	42.4 Å²	42.4	8%	0.082	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-1.6	177.6	0	0	0	0	0	114.3	D385 A386 G729 N733	D385-G731 CarbonylContact C-O 3.51Å; D385-G731 VanDerWaalsContact CA-O 3.29Å; D385-G731 WeakPolarHBondContact CA-O 3.43Å; D385-G731 WeakPolarHBondContact CB-O 2.96Å; A386-G731 PolarHBondContact N-O 3.36Å; G729-G731 PolarHBondContact O-N 3.49Å; G729-G731 VanDerWaalsContact O-N 3.14Å; G731-N733 PolarHBondContact O-N 3.05Å
732	R	96.9	Very high	96.6	Very high	103 Å²	103	45.1 Å²	45.1	39%	0.389	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	49.8	-175.3	-63.9	174.6	70.2	170	-5.9	111.3	A386 P387 D724 A727 G729 K730	A386-R732 WeakPolarHBondContact CB-O 3.01Å; P387-R732 HydrophobicContact CG-CB 4.21Å; D724-R732 IonicContact OD1-CZ 3.43Å; D724-R732 IonicContact OD1-NE 3.99Å; D724-R732 PolarHBondContact OD1-NE 3.04Å; D724-R732 IonicContact OD1-NH2 3.89Å; D724-R732 PolarHBondContact OD1-NH2 2.83Å; D724-R732 IonicContact OD2-CZ 2.8Å; D724-R732 VanDerWaalsContact OD2-CZ 3.22Å; D724-R732 IonicContact OD2-NE 3.12Å; D724-R732 PolarHBondContact OD2-NE 2.84Å; D724-R732 IonicContact OD2-NH2 3.6Å; D724-R732 PolarHBondContact OD2-NH2 3.16Å; A727-R732 HydrophobicContact CB-CB 4.01Å; G729-R732 PolarHBondContact O-N 3.45Å; K730-R732 VanDerWaalsContact C-N 3.28Å
733	N	96.9	Very high	96.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-86.7	159.4	-172	-75.4	-51.7	0	0	0	111.8	A727 V728 G731 G762 T763 S764	A727-N733 WeakPolarHBondContact CA-O 3.15Å; V728-N733 PolarHBondContact N-O 2.95Å; V728-N733 PolarHBondContact O-N 3.27Å; G731-N733 PolarHBondContact O-N 3.05Å; N733-G762 PolarHBondContact ND2-O 3.01Å; N733-T763 VanDerWaalsContact OD1-CA 3.22Å; N733-T763 WeakPolarHBondContact OD1-CA 3.27Å; N733-S764 WeakPolarHBondContact CB-OG 3.23Å; N733-S764 VanDerWaalsContact CG-OG 3.28Å; N733-S764 PolarHBondContact ND2-OG 2.75Å; N733-S764 PolarHBondContact OD1-N 2.85Å
734	I	97.7	Very high	96.4	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-58.7	144.1	164.2	59.4	170.4	0	0	0	110.5	L35 F719 T738 C755 P766	L35-I734 HydrophobicContact CD2-CB 4.5Å; L35-I734 HydrophobicContact CD2-CG2 3.58Å; F719-I734 HydrophobicContact CB-CD1 4.05Å; F719-I734 HydrophobicContact CB-CG2 4.18Å; I734-T738 HydrophobicContact CB-CG2 4.38Å; I734-T738 HydrophobicContact CD1-CG2 3.91Å; I734-C755 HydrophobicContact CD1-CB 3.53Å; I734-C755 HydrophobicContact CG1-CB 4.01Å; I734-P766 HydrophobicContact CD1-CG 4.09Å
735	P	97.8	Very high	96.3	Very high	11 Å²	11	36.7 Å²	36.7	7%	0.071	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-58	149.9	179.6	-25.6	33.8	0	0	0	113.4	I33 V426 L726 V728 T738	I33-P735 HydrophobicContact CD1-CG 4.3Å; V426-P735 HydrophobicContact CG1-CB 4.06Å; V426-P735 HydrophobicContact CG2-CB 4.2Å; V426-P735 HydrophobicContact CG2-CG 4.2Å; L726-P735 WeakPolarHBondContact O-CG 3.27Å; V728-P735 HydrophobicContact CG2-CB 4.18Å; V728-P735 HydrophobicContact CG2-CG 3.98Å; P735-T738 VanDerWaalsContact O-CB 3.3Å; P735-T738 WeakPolarHBondContact O-CB 3.29Å; P735-T738 PolarHBondContact O-N 3.34Å; P735-T738 PolarHBondContact O-OG1 2.79Å
736	A	97.9	Very high	95.9	Very high	3 Å²	3	34 Å²	34	3%	0.025	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	137.8	168.5	0	0	0	0	0	110.1	C755 Y788	A736-C755 CarbonylContact C-O 3.56Å; A736-C755 VanDerWaalsContact CA-O 3.3Å; A736-C755 WeakPolarHBondContact CA-O 3.11Å; A736-Y788 PolarHBondContact O-OH 2.76Å
737	G	98.4	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-3.1	-171.6	0	0	0	0	0	113.9	L427 V739 C755 Y788	L427-G737 PolarHBondContact N-O 3.43Å; G737-V739 PolarHBondContact O-N 3.14Å; G737-C755 PolarHBondContact N-O 3.12Å; G737-Y788 WeakPolarHBondContact CA-OH 3.35Å; G737-Y788 PolarHBondContact N-OH 3.22Å
738	T	98.8	Very high	94.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	122.8	174.8	-58	0	0	0	0	110.8	I33 L35 R425 I734 P735 I740 C755	I33-T738 HydrophobicContact CG2-CG2 4.26Å; L35-T738 HydrophobicContact CD1-CG2 3.69Å; R425-T738 CarbonylContact O-C 3.54Å; R425-T738 VanDerWaalsContact O-CA 3.26Å; R425-T738 WeakPolarHBondContact O-CA 3.08Å; I734-T738 HydrophobicContact CB-CG2 4.38Å; I734-T738 HydrophobicContact CD1-CG2 3.91Å; P735-T738 VanDerWaalsContact O-CB 3.3Å; P735-T738 WeakPolarHBondContact O-CB 3.29Å; P735-T738 PolarHBondContact O-N 3.34Å; P735-T738 PolarHBondContact O-OG1 2.79Å; T738-I740 HydrophobicContact CG2-CD1 4.08Å; T738-C755 PolarHBondContact O-N 2.57Å
739	V	98.8	Very high	94.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.7	174.5	177.3	0	0	0	0	110.1	G424 R425 L427 G737 D741 F752 Y753 L754 Q784	G424-V739 WeakPolarHBondContact CA-O 3.36Å; R425-V739 PolarHBondContact N-O 2.81Å; R425-V739 PolarHBondContact O-N 2.91Å; L427-V739 HydrophobicContact CD1-CG2 3.67Å; L427-V739 HydrophobicContact CG-CG2 3.93Å; G737-V739 PolarHBondContact O-N 3.14Å; V739-D741 HydrophobicContact CG1-CB 4.45Å; V739-F752 HydrophobicContact CG1-CB 4.33Å; V739-F752 HydrophobicContact CG1-CD2 4.27Å; V739-Y753 CarbonylContact C-O 3.39Å; V739-Y753 VanDerWaalsContact CA-O 3.27Å; V739-Y753 WeakPolarHBondContact CA-O 3.2Å; V739-L754 HydrophobicContact CG2-CB 4.37Å; V739-L754 HydrophobicContact CG2-CD1 3.56Å; V739-Q784 HydrophobicContact CG1-CG 4.07Å; V739-Q784 HydrophobicContact CG2-CB 4.43Å
740	I	98.6	Very high	94.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	110	171.3	-53	90.6	0	0	0	107.4	L35 V422 F719 T738 V744 F752 Y753	L35-I740 HydrophobicContact CD1-CD1 3.94Å; L35-I740 HydrophobicContact CD1-CG1 3.68Å; V422-I740 HydrophobicContact CB-CG2 4.28Å; V422-I740 HydrophobicContact CG1-CG2 3.9Å; F719-I740 HydrophobicContact CD1-CD1 4.32Å; F719-I740 HydrophobicContact CD1-CG1 4.33Å; F719-I740 HydrophobicContact CD2-CD1 4.15Å; F719-I740 HydrophobicContact CE1-CD1 4.28Å; F719-I740 HydrophobicContact CE1-CG1 4.13Å; F719-I740 HydrophobicContact CE1-CG2 4.37Å; F719-I740 HydrophobicContact CE2-CD1 4.11Å; F719-I740 HydrophobicContact CG-CD1 4.25Å; F719-I740 HydrophobicContact CZ-CD1 4.17Å; F719-I740 HydrophobicContact CZ-CG1 4.35Å; T738-I740 HydrophobicContact CG2-CD1 4.08Å; I740-V744 HydrophobicContact CG2-CG2 3.94Å; I740-F752 WeakPolarHBondContact O-CA 3.31Å; I740-Y753 PolarHBondContact N-O 3.13Å; I740-Y753 PolarHBondContact O-N 2.9Å
741	D	97.5	Very high	94.6	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.111	C	C	.	.			trans	-118.3	6.1	179.7	59.9	1.8	0	0	0	113.3	Y26 G27 R425 V739 T745 F752 Q784	Y26-D741 WeakPolarHBondContact CD1-O 3.39Å; Y26-D741 WeakPolarHBondContact CE1-O 3.36Å; G27-D741 PolarHBondContact N-OD2 2.87Å; R425-D741 IonicContact CZ-OD2 3.29Å; R425-D741 IonicContact NH2-OD2 3.47Å; R425-D741 PolarHBondContact NH2-OD2 2.77Å; V739-D741 HydrophobicContact CG1-CB 4.45Å; D741-T745 PolarHBondContact O-OG1 3.34Å; D741-F752 HydrophobicContact CB-CB 3.97Å; D741-Q784 PolarHBondContact OD2-NE2 2.75Å
742	R	96	Very high	94.8	Very high	68 Å²	68	21.9 Å²	21.9	26%	0.257	11%	0.107	S	C	.	.	S	Bend	trans	-129.9	166.3	-177.6	-69.1	172.9	179.6	95.6	-11.5	112	Y26 G27 P423 V744 T745	Y26-R742 VanDerWaalsContact CB-NH2 3.28Å; Y26-R742 HydrophobicContact CD1-CG 3.61Å; Y26-R742 HydrophobicContact CE1-CG 3.78Å; Y26-R742 HydrophobicContact CG-CG 4.25Å; G27-R742 PolarHBondContact O-NH1 3.37Å; G27-R742 PolarHBondContact O-NH2 2.8Å; P423-R742 HydrophobicContact CG-CB 4.07Å; R742-V744 PolarHBondContact O-N 3.25Å; R742-T745 WeakPolarHBondContact CA-OG1 3.41Å; R742-T745 PolarHBondContact N-OG1 3.41Å
743	R	94.8	Very high	94.9	Very high	79 Å²	79	17.5 Å²	17.5	30%	0.298	9%	0.091	S	C	.	.	S	Bend	trans	63	-60.2	176.9	-58.7	-71.5	-63.1	-165.3	5.4	115.1	E41 G220 E221 M226 V422 P423	E41-R743 IonicContact OE1-NH2 3.66Å; E41-R743 PolarHBondContact OE1-NH2 3.11Å; G220-R743 WeakPolarHBondContact CA-O 3.16Å; E221-R743 PolarHBondContact N-O 2.9Å; E221-R743 PolarHBondContact OE2-N 3.2Å; M226-R743 WeakPolarHBondContact CE-O 3.39Å; V422-R743 HydrophobicContact CG1-CB 3.63Å; V422-R743 HydrophobicContact CG1-CG 4.24Å; P423-R743 HydrophobicContact CG-CG 4.36Å
744	V	95.3	Very high	95	Very high	6 Å²	6	17.4 Å²	17.4	4%	0.036	9%	0.091	C	C	.	.	S	Bend	trans	-99.4	6	-176.4	-59.4	0	0	0	0	113.7	F39 M226 V420 V422 F719 I740 R742 Y753	F39-V744 HydrophobicContact CB-CG1 4.28Å; F39-V744 HydrophobicContact CD1-CG1 4.43Å; F39-V744 HydrophobicContact CD2-CB 4.41Å; F39-V744 HydrophobicContact CD2-CG1 4.06Å; F39-V744 HydrophobicContact CE2-CB 4.37Å; F39-V744 HydrophobicContact CG-CG1 4.02Å; F39-V744 HydrophobicContact CZ-CB 4.45Å; M226-V744 HydrophobicContact CE-CG1 4.34Å; M226-V744 HydrophobicContact SD-CG1 4.28Å; V420-V744 HydrophobicContact CG1-CG1 4.24Å; V422-V744 HydrophobicContact CG1-CB 4.4Å; V422-V744 HydrophobicContact CG1-CG1 3.83Å; V422-V744 HydrophobicContact CG1-CG2 3.87Å; F719-V744 HydrophobicContact CE1-CG2 4.01Å; F719-V744 HydrophobicContact CZ-CG2 4.13Å; I740-V744 HydrophobicContact CG2-CG2 3.94Å; R742-V744 PolarHBondContact O-N 3.25Å; V744-Y753 HydrophobicContact CG2-CD2 4.35Å; V744-Y753 HydrophobicContact CG2-CE2 4.1Å
745	T	94.3	Very high	95	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.09	C	C	.	.	S	Bend	trans	-100.6	166.6	170.5	47.5	0	0	0	0	110.1	G220 E221 D741 R742 Y753	G220-T745 CarbonylContact C-O 3.51Å; G220-T745 VanDerWaalsContact C-O 3.28Å; G220-T745 WeakPolarHBondContact CA-O 3.41Å; E221-T745 PolarHBondContact N-O 3.48Å; D741-T745 PolarHBondContact O-OG1 3.34Å; R742-T745 WeakPolarHBondContact CA-OG1 3.41Å; R742-T745 PolarHBondContact N-OG1 3.41Å; T745-Y753 HydrophobicContact CG2-CD2 4.09Å; T745-Y753 HydrophobicContact CG2-CE2 4.2Å
746	S	88	Confident	95	Very high	38 Å²	38	16.8 Å²	16.8	27%	0.266	9%	0.087	S	C	.	.			trans	-73	147.3	176.5	67.4	0	0	0	0	111.5	R23 G749 D751	R23-S746 PolarHBondContact NH2-O 3.01Å; R23-S746 VanDerWaalsContact NH2-O 3.09Å; S746-G749 WeakPolarHBondContact OG-CA 3.5Å; S746-G749 PolarHBondContact OG-N 3.31Å; S746-G749 VanDerWaalsContact OG-N 3.14Å; S746-G749 PolarHBondContact OG-O 3.46Å; S746-D751 PolarHBondContact N-OD1 3.39Å; S746-D751 PolarHBondContact N-OD2 3.4Å; S746-D751 PolarHBondContact OG-OD1 2.92Å
747	L	84.9	Confident	94.9	Very high	54 Å²	54	18.4 Å²	18.4	28%	0.283	9%	0.094	S	C	.	.	S	Bend	trans	-70.2	-53.1	175.8	-174.9	66.6	0	0	0	110.7	E221 Y223	E221-L747 HydrophobicContact CG-CD1 3.72Å; Y223-L747 HydrophobicContact CD2-CD2 4.47Å; Y223-L747 HydrophobicContact CE1-CB 4.12Å; Y223-L747 HydrophobicContact CE1-CD2 4.15Å; Y223-L747 HydrophobicContact CE2-CD2 3.72Å; Y223-L747 WeakPolarHBondContact OH-CD2 3.25Å
748	D	81.8	Confident	94.5	Very high	62 Å²	62	19.1 Å²	19.1	33%	0.332	10%	0.098	S	C	.	.	S	Bend	trans	-87	-25.4	-173.2	-57.6	-36.3	0	0	0	112.7	A22 R23 V152 G153 Y223	A22-D748 WeakPolarHBondContact CA-O 3.46Å; R23-D748 PolarHBondContact N-O 3.46Å; V152-D748 VanDerWaalsContact CG1-OD2 3.23Å; V152-D748 WeakPolarHBondContact CG1-OD2 3.3Å; G153-D748 WeakPolarHBondContact CA-OD2 3.18Å; G153-D748 PolarHBondContact N-OD2 3.19Å; Y223-D748 WeakPolarHBondContact CE1-OD2 3.25Å; Y223-D748 PolarHBondContact OH-OD1 2.87Å; Y223-D748 PolarHBondContact OH-OD2 2.99Å
749	G	87.6	Confident	93.9	Very high	24 Å²	24	19.8 Å²	19.8	25%	0.247	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-83.4	148.8	-179.4	0	0	0	0	0	112.4	R23 S746 D751	R23-G749 VanDerWaalsContact CZ-O 3.25Å; R23-G749 PolarHBondContact NE-O 3.13Å; R23-G749 PolarHBondContact NH2-O 3.04Å; S746-G749 WeakPolarHBondContact OG-CA 3.5Å; S746-G749 PolarHBondContact OG-N 3.31Å; S746-G749 VanDerWaalsContact OG-N 3.14Å; S746-G749 PolarHBondContact OG-O 3.46Å; G749-D751 VanDerWaalsContact C-N 3.34Å; G749-D751 PolarHBondContact O-N 3.24Å; G749-D751 VanDerWaalsContact O-N 3.13Å
750	Y	94.9	Very high	93.3	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	71.3	177.8	-166.4	178.2	0	0	0	111.4	I21 R23 P24 V771 L778 K779 A780 M783	I21-Y750 HydrophobicContact CG2-CD1 4.29Å; R23-Y750 HydrophobicContact CG-CD2 4.15Å; P24-Y750 HydrophobicContact CG-CD1 4.18Å; P24-Y750 HydrophobicContact CG-CE1 3.61Å; P24-Y750 HydrophobicContact CG-CE2 4.46Å; Y750-V771 HydrophobicContact CD1-CB 3.54Å; Y750-V771 HydrophobicContact CD1-CG1 3.82Å; Y750-V771 HydrophobicContact CD1-CG2 3.84Å; Y750-V771 HydrophobicContact CD2-CB 4.46Å; Y750-V771 HydrophobicContact CD2-CG2 4.18Å; Y750-V771 HydrophobicContact CE1-CB 4.1Å; Y750-V771 HydrophobicContact CE1-CG1 4.16Å; Y750-V771 HydrophobicContact CE1-CG2 3.97Å; Y750-V771 HydrophobicContact CE2-CG2 4.3Å; Y750-V771 HydrophobicContact CG-CB 3.74Å; Y750-V771 HydrophobicContact CG-CG2 3.94Å; Y750-V771 PolarHBondContact O-N 3.2Å; Y750-L778 WeakPolarHBondContact CE1-O 3.49Å; Y750-L778 PolarHBondContact OH-O 3.19Å; Y750-K779 PolarHBondContact OH-O 3.4Å; Y750-A780 HydrophobicContact CE2-CB 4.39Å; Y750-A780 VanDerWaalsContact OH-CA 3.3Å; Y750-A780 WeakPolarHBondContact OH-CA 3.09Å; Y750-A780 PolarHBondContact OH-N 3.33Å; Y750-A780 VanDerWaalsContact OH-N 3.17Å; Y750-M783 WeakPolarHBondContact OH-CB 3.41Å
751	D	95.8	Very high	92.8	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.3	-177.7	74.2	-45.3	0	0	0	115	R23 S746 G749 K768 Y769 N770	R23-D751 PolarHBondContact NH1-O 3.48Å; R23-D751 PolarHBondContact NH2-O 3.28Å; R23-D751 IonicContact NH2-OD1 3.79Å; R23-D751 PolarHBondContact NH2-OD1 3.46Å; S746-D751 PolarHBondContact N-OD1 3.39Å; S746-D751 PolarHBondContact N-OD2 3.4Å; S746-D751 PolarHBondContact OG-OD1 2.92Å; G749-D751 VanDerWaalsContact C-N 3.34Å; G749-D751 PolarHBondContact O-N 3.24Å; G749-D751 VanDerWaalsContact O-N 3.13Å; D751-K768 WeakPolarHBondContact OD2-CE 3.37Å; D751-K768 IonicContact OD2-NZ 2.74Å; D751-Y769 CarbonylContact C-O 3.59Å; D751-Y769 WeakPolarHBondContact CA-O 3.46Å; D751-Y769 WeakPolarHBondContact CB-O 3.23Å; D751-N770 VanDerWaalsContact CB-OD1 3.32Å; D751-N770 WeakPolarHBondContact CB-OD1 3.45Å
752	F	98.4	Very high	92.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	155.1	174.2	60.5	-87.3	0	0	0	111.6	V739 I740 D741 L754 K768 Y769 M783 Q784 A787	V739-F752 HydrophobicContact CG1-CB 4.33Å; V739-F752 HydrophobicContact CG1-CD2 4.27Å; I740-F752 WeakPolarHBondContact O-CA 3.31Å; D741-F752 HydrophobicContact CB-CB 3.97Å; F752-L754 HydrophobicContact CD2-CB 4.18Å; F752-L754 HydrophobicContact CE2-CB 4.09Å; F752-K768 CarbonylContact O-C 3.51Å; F752-K768 WeakPolarHBondContact O-CA 3.41Å; F752-Y769 HydrophobicContact CD2-CD2 4.12Å; F752-Y769 HydrophobicContact CD2-CG 4.34Å; F752-Y769 HydrophobicContact CE1-CG 4.36Å; F752-Y769 HydrophobicContact CE2-CD1 4.35Å; F752-Y769 AromaticContact CE2-CD2 3.63Å; F752-Y769 HydrophobicContact CE2-CD2 3.63Å; F752-Y769 HydrophobicContact CE2-CE2 4.35Å; F752-Y769 AromaticContact CE2-CG 3.65Å; F752-Y769 HydrophobicContact CE2-CG 3.65Å; F752-Y769 VanDerWaalsContact CZ-CB 3.45Å; F752-Y769 HydrophobicContact CZ-CD1 4.11Å; F752-Y769 HydrophobicContact CZ-CD2 4.16Å; F752-Y769 AromaticContact CZ-CG 3.66Å; F752-Y769 HydrophobicContact CZ-CG 3.66Å; F752-Y769 PolarHBondContact N-O 3.16Å; F752-Y769 PolarHBondContact O-N 2.85Å; F752-M783 HydrophobicContact CE1-CG 4.19Å; F752-M783 HydrophobicContact CZ-CG 4.48Å; F752-Q784 HydrophobicContact CD1-CG 4.02Å; F752-Q784 HydrophobicContact CD2-CG 3.84Å; F752-Q784 HydrophobicContact CE1-CG 4.02Å; F752-Q784 HydrophobicContact CE2-CB 4.33Å; F752-Q784 HydrophobicContact CE2-CG 3.83Å; F752-Q784 HydrophobicContact CG-CG 3.92Å; F752-Q784 HydrophobicContact CZ-CB 4.46Å; F752-Q784 HydrophobicContact CZ-CG 3.92Å; F752-A787 HydrophobicContact CE2-CB 4.48Å; F752-A787 HydrophobicContact CZ-CB 4.28Å
753	Y	98.6	Very high	92.5	Very high	11 Å²	11	30 Å²	30	4%	0.043	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.7	166.8	-64.3	-87.9	0	0	0	110	H715 A717 F719 V739 I740 V744 T745 A767 K768	H715-Y753 AromaticContact CE1-CD1 3.91Å; H715-Y753 AromaticContact CE1-CE1 3.72Å; H715-Y753 AromaticContact ND1-CE1 4Å; H715-Y753 AromaticContact NE2-CD1 3.94Å; H715-Y753 AromaticContact NE2-CE1 3.83Å; A717-Y753 HydrophobicContact CB-CD1 4.29Å; A717-Y753 HydrophobicContact CB-CE1 3.61Å; F719-Y753 HydrophobicContact CE2-CD1 4.38Å; F719-Y753 HydrophobicContact CE2-CG 4.2Å; F719-Y753 HydrophobicContact CZ-CD2 4.1Å; F719-Y753 HydrophobicContact CZ-CE2 4.5Å; F719-Y753 HydrophobicContact CZ-CG 4.15Å; V739-Y753 CarbonylContact C-O 3.39Å; V739-Y753 VanDerWaalsContact CA-O 3.27Å; V739-Y753 WeakPolarHBondContact CA-O 3.2Å; I740-Y753 PolarHBondContact N-O 3.13Å; I740-Y753 PolarHBondContact O-N 2.9Å; V744-Y753 HydrophobicContact CG2-CD2 4.35Å; V744-Y753 HydrophobicContact CG2-CE2 4.1Å; T745-Y753 HydrophobicContact CG2-CD2 4.09Å; T745-Y753 HydrophobicContact CG2-CE2 4.2Å; Y753-A767 WeakPolarHBondContact CA-O 3.29Å; Y753-K768 HydrophobicContact CD1-CB 3.84Å; Y753-K768 HydrophobicContact CD1-CG 4.24Å; Y753-K768 HydrophobicContact CE1-CB 3.65Å; Y753-K768 HydrophobicContact CE1-CD 4.08Å; Y753-K768 HydrophobicContact CE1-CG 3.9Å
754	L	98.7	Very high	92.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.3	173.8	166.9	66.8	0	0	0	110.1	V739 F752 S756 P766 A767 Y769 A787 Y788	V739-L754 HydrophobicContact CG2-CB 4.37Å; V739-L754 HydrophobicContact CG2-CD1 3.56Å; F752-L754 HydrophobicContact CD2-CB 4.18Å; F752-L754 HydrophobicContact CE2-CB 4.09Å; L754-S756 PolarHBondContact O-N 3.3Å; L754-P766 WeakPolarHBondContact O-CA 3.25Å; L754-A767 PolarHBondContact N-O 3.24Å; L754-A767 PolarHBondContact O-N 2.85Å; L754-Y769 HydrophobicContact CB-CD2 4.17Å; L754-Y769 HydrophobicContact CB-CE2 3.77Å; L754-Y769 HydrophobicContact CD2-CE2 4.12Å; L754-Y769 HydrophobicContact CG-CE2 4.42Å; L754-A787 HydrophobicContact CD2-CB 4.03Å; L754-Y788 HydrophobicContact CD1-CD2 4.13Å; L754-Y788 HydrophobicContact CD1-CG 4.27Å
755	C	98.2	Very high	92.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	82	169.2	-164.8	0	0	0	0	109.3	I734 A736 G737 T738 H757 P766	I734-C755 HydrophobicContact CD1-CB 3.53Å; I734-C755 HydrophobicContact CG1-CB 4.01Å; A736-C755 CarbonylContact C-O 3.56Å; A736-C755 VanDerWaalsContact CA-O 3.3Å; A736-C755 WeakPolarHBondContact CA-O 3.11Å; G737-C755 PolarHBondContact N-O 3.12Å; T738-C755 PolarHBondContact O-N 2.57Å; C755-H757 VanDerWaalsContact C-N 3.29Å; C755-H757 PolarHBondContact O-N 2.56Å; C755-P766 HydrophobicContact CB-CB 4.26Å; C755-P766 HydrophobicContact CB-CG 3.93Å
756	S	97.7	Very high	92.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.			trans	-78.4	-6.5	-174.4	54.5	0	0	0	0	114.9	L754 C791 S800 V801 S802	L754-S756 PolarHBondContact O-N 3.3Å; S756-C791 VanDerWaalsContact CB-SG 3.55Å; S756-S800 WeakPolarHBondContact O-CB 3.4Å; S756-S800 PolarHBondContact O-OG 2.95Å; S756-V801 WeakPolarHBondContact CB-O 3.28Å; S756-V801 PolarHBondContact OG-O 2.84Å; S756-S802 VanDerWaalsContact OG-C 3.29Å; S756-S802 VanDerWaalsContact OG-CA 3.28Å; S756-S802 WeakPolarHBondContact OG-CA 3.5Å; S756-S802 PolarHBondContact OG-O 3.34Å
757	H	95.5	Very high	93.1	Very high	37 Å²	37	27.4 Å²	27.4	17%	0.171	15%	0.15	C	C	.	.	S	Bend	trans	-139.1	158.3	-171.7	69.4	-69	0	0	0	112.2	C755 K765 S800 S802	C755-H757 VanDerWaalsContact C-N 3.29Å; C755-H757 PolarHBondContact O-N 2.56Å; H757-K765 PolarHBondContact CE1-O 2.97Å; H757-S800 VanDerWaalsContact CB-O 3.3Å; H757-S800 WeakPolarHBondContact CB-O 3.22Å; H757-S802 VanDerWaalsContact CE1-CB 3.45Å; H757-S802 WeakPolarHBondContact CE1-CB 3.27Å; H757-S802 WeakPolarHBondContact ND1-CA 3.48Å; H757-S802 WeakPolarHBondContact ND1-CB 3.42Å
758	T	90.3	Very high	93.7	Very high	14 Å²	14	25.9 Å²	25.9	9%	0.086	14%	0.141	C	C	.	.			trans	-92.8	118.5	171.3	-65.7	0	0	0	0	110.6	N447 V728 I760 R799	N447-T758 WeakPolarHBondContact O-CB 3.5Å; N447-T758 PolarHBondContact O-OG1 3.48Å; V728-T758 HydrophobicContact CG1-CG2 4.29Å; T758-I760 PolarHBondContact O-N 3.01Å; T758-R799 PolarHBondContact O-NH1 3.15Å; T758-R799 VanDerWaalsContact O-NH1 3.1Å
759	G	86.2	Confident	94.5	Very high	15 Å²	15	22.9 Å²	22.9	16%	0.155	13%	0.125	C	C	.	.			trans	-54.8	122	176.4	0	0	0	0	0	111.7	Q761 S764	G759-Q761 VanDerWaalsContact C-N 3.31Å; G759-S764 PolarHBondContact N-OG 3.04Å; G759-S764 VanDerWaalsContact N-OG 3.09Å
760	I	86.1	Confident	95	Very high	142 Å²	142	22.3 Å²	22.3	73%	0.728	12%	0.117	S	C	*	.	S	Bend	trans	-68.1	-37.6	178	-64.2	172.1	0	0	0	110.2	T758	T758-I760 PolarHBondContact O-N 3.01Å
761	Q	87.9	Confident	95.1	Very high	105 Å²	105	22.3 Å²	22.3	49%	0.491	12%	0.117	S	C	.	.	S	Bend	trans	-146.7	133.8	-176.9	-178.6	175.2	-7	0	0	109.1	A383 G759	A383-Q761 HydrophobicContact CB-CG 3.6Å; G759-Q761 VanDerWaalsContact C-N 3.31Å
762	G	92.9	Very high	95	Very high	12 Å²	12	22.3 Å²	22.3	12%	0.124	12%	0.117	C	C	.	.	S	Bend	trans	68.1	-164.8	-179.7	0	0	0	0	0	114.6	M384 N733	M384-G762 CarbonylContact O-C 3.58Å; M384-G762 VanDerWaalsContact O-C 3.28Å; M384-G762 WeakPolarHBondContact O-CA 3.24Å; N733-G762 PolarHBondContact ND2-O 3.01Å
763	T	95	Very high	94.9	Very high	23 Å²	23	24.6 Å²	24.6	14%	0.141	13%	0.126	C	C	.	.	S	Bend	trans	-69.7	126.7	-179.6	-42.8	0	0	0	0	112.3	M384 A386 R389 R718 N733	M384-T763 PolarHBondContact O-N 3.32Å; M384-T763 PolarHBondContact O-OG1 2.96Å; A386-T763 WeakPolarHBondContact CA-OG1 3.4Å; A386-T763 HydrophobicContact CB-CG2 3.63Å; R389-T763 VanDerWaalsContact CD-OG1 3.24Å; R389-T763 WeakPolarHBondContact CD-OG1 3.31Å; R718-T763 HydrophobicContact CB-CG2 4.38Å; R718-T763 HydrophobicContact CG-CG2 4.42Å; N733-T763 VanDerWaalsContact OD1-CA 3.22Å; N733-T763 WeakPolarHBondContact OD1-CA 3.27Å
764	S	94.6	Very high	94.8	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.028	13%	0.127	C	C	.	.			trans	-57.9	142.5	171.8	-72.9	0	0	0	0	110.7	R718 N733 G759	R718-S764 WeakPolarHBondContact CD-O 3.46Å; N733-S764 WeakPolarHBondContact CB-OG 3.23Å; N733-S764 VanDerWaalsContact CG-OG 3.28Å; N733-S764 PolarHBondContact ND2-OG 2.75Å; N733-S764 PolarHBondContact OD1-N 2.85Å; G759-S764 PolarHBondContact N-OG 3.04Å; G759-S764 VanDerWaalsContact N-OG 3.09Å
765	K	94.9	Very high	94.6	Very high	63 Å²	63	27.5 Å²	27.5	27%	0.274	14%	0.142	S	C	.	.			trans	-115.2	105	175.3	-176.4	176.5	-171.1	178.5	0	109.4	K713 H715 H757	K713-K765 WeakPolarHBondContact O-CE 3.49Å; K713-K765 PolarHBondContact O-NZ 3.16Å; H715-K765 WeakPolarHBondContact O-CE 3.47Å; H715-K765 PolarHBondContact O-NZ 3.44Å; H757-K765 PolarHBondContact CE1-O 2.97Å
766	P	97.5	Very high	94.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-58.3	156.6	170.8	-24.9	37	0	0	0	111	H715 F719 I734 L754 C755	H715-P766 PolarHBondContact CE1-O 3.17Å; H715-P766 PolarHBondContact NE2-O 3.27Å; F719-P766 HydrophobicContact CD2-CG 3.76Å; F719-P766 HydrophobicContact CE2-CG 4.02Å; I734-P766 HydrophobicContact CD1-CG 4.09Å; L754-P766 WeakPolarHBondContact O-CA 3.25Å; C755-P766 HydrophobicContact CB-CB 4.26Å; C755-P766 HydrophobicContact CB-CG 3.93Å
767	A	97.7	Very high	94.3	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.017	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.9	165.7	0	0	0	0	0	109.6	V711 Y753 L754 Y769 S802 I803	V711-A767 HydrophobicContact CG1-CB 4.08Å; Y753-A767 WeakPolarHBondContact CA-O 3.29Å; L754-A767 PolarHBondContact N-O 3.24Å; L754-A767 PolarHBondContact O-N 2.85Å; A767-Y769 HydrophobicContact CB-CD2 4.45Å; A767-Y769 HydrophobicContact CB-CE2 3.77Å; A767-Y769 WeakPolarHBondContact O-CD2 3.39Å; A767-S802 WeakPolarHBondContact CB-O 3.44Å; A767-I803 HydrophobicContact CB-CG2 3.9Å
768	K	97.9	Very high	94.3	Very high	22 Å²	22	33.2 Å²	33.2	10%	0.096	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.1	170.3	-170.3	-178.3	176.9	-175.6	0	109.1	E677 V711 Q712 H715 D751 F752 Y753 N770	E677-K768 IonicContact OE1-NZ 3.62Å; E677-K768 PolarHBondContact OE1-NZ 3.46Å; V711-K768 CarbonylContact C-O 3.59Å; V711-K768 WeakPolarHBondContact CA-O 3.41Å; Q712-K768 HydrophobicContact CB-CB 4.36Å; Q712-K768 PolarHBondContact N-O 2.93Å; Q712-K768 PolarHBondContact O-N 3.04Å; H715-K768 PolarHBondContact NE2-N 3.37Å; D751-K768 WeakPolarHBondContact OD2-CE 3.37Å; D751-K768 IonicContact OD2-NZ 2.74Å; F752-K768 CarbonylContact O-C 3.51Å; F752-K768 WeakPolarHBondContact O-CA 3.41Å; Y753-K768 HydrophobicContact CD1-CB 3.84Å; Y753-K768 HydrophobicContact CD1-CG 4.24Å; Y753-K768 HydrophobicContact CE1-CB 3.65Å; Y753-K768 HydrophobicContact CE1-CD 4.08Å; Y753-K768 HydrophobicContact CE1-CG 3.9Å; K768-N770 WeakPolarHBondContact CE-OD1 3.28Å
769	Y	98.4	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.4	176.2	-66.9	-106.5	0	0	0	107.9	F671 V709 V710 V711 D751 F752 L754 A767 A787 P804	F671-Y769 HydrophobicContact CD1-CD1 4.37Å; F671-Y769 HydrophobicContact CD1-CE1 4.3Å; F671-Y769 HydrophobicContact CE1-CD1 4.16Å; F671-Y769 HydrophobicContact CE1-CE1 4.11Å; V709-Y769 HydrophobicContact CG1-CD1 4.08Å; V710-Y769 CarbonylContact O-C 3.36Å; V710-Y769 WeakPolarHBondContact O-CA 3.25Å; V711-Y769 HydrophobicContact CG1-CD1 4.34Å; V711-Y769 HydrophobicContact CG1-CE1 4.01Å; V711-Y769 HydrophobicContact CG1-CE2 4.45Å; V711-Y769 HydrophobicContact CG2-CD1 3.79Å; V711-Y769 HydrophobicContact CG2-CE1 3.76Å; D751-Y769 CarbonylContact C-O 3.59Å; D751-Y769 WeakPolarHBondContact CA-O 3.46Å; D751-Y769 WeakPolarHBondContact CB-O 3.23Å; F752-Y769 HydrophobicContact CD2-CD2 4.12Å; F752-Y769 HydrophobicContact CD2-CG 4.34Å; F752-Y769 HydrophobicContact CE1-CG 4.36Å; F752-Y769 HydrophobicContact CE2-CD1 4.35Å; F752-Y769 AromaticContact CE2-CD2 3.63Å; F752-Y769 HydrophobicContact CE2-CD2 3.63Å; F752-Y769 HydrophobicContact CE2-CE2 4.35Å; F752-Y769 AromaticContact CE2-CG 3.65Å; F752-Y769 HydrophobicContact CE2-CG 3.65Å; F752-Y769 VanDerWaalsContact CZ-CB 3.45Å; F752-Y769 HydrophobicContact CZ-CD1 4.11Å; F752-Y769 HydrophobicContact CZ-CD2 4.16Å; F752-Y769 AromaticContact CZ-CG 3.66Å; F752-Y769 HydrophobicContact CZ-CG 3.66Å; F752-Y769 PolarHBondContact N-O 3.16Å; F752-Y769 PolarHBondContact O-N 2.85Å; L754-Y769 HydrophobicContact CB-CD2 4.17Å; L754-Y769 HydrophobicContact CB-CE2 3.77Å; L754-Y769 HydrophobicContact CD2-CE2 4.12Å; L754-Y769 HydrophobicContact CG-CE2 4.42Å; A767-Y769 HydrophobicContact CB-CD2 4.45Å; A767-Y769 HydrophobicContact CB-CE2 3.77Å; A767-Y769 WeakPolarHBondContact O-CD2 3.39Å; Y769-A787 HydrophobicContact CD1-CB 4.14Å; Y769-A787 HydrophobicContact CE1-CB 3.7Å; Y769-P804 HydrophobicContact CE1-CG 3.9Å; Y769-P804 WeakPolarHBondContact OH-CD 3.39Å
770	N	96.7	Very high	95.2	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	111.7	174.7	-56.5	-95.3	0	0	0	107.5	F680 V709 V710 Q712 D751 K768 L772	F680-N770 HydrophobicContact CE2-CB 3.85Å; F680-N770 HydrophobicContact CZ-CB 4.08Å; V709-N770 CarbonylContact C-O 3.6Å; V709-N770 WeakPolarHBondContact CA-O 3.46Å; V710-N770 PolarHBondContact N-O 3.39Å; V710-N770 PolarHBondContact O-N 2.86Å; Q712-N770 PolarHBondContact OE1-ND2 2.84Å; D751-N770 VanDerWaalsContact CB-OD1 3.32Å; D751-N770 WeakPolarHBondContact CB-OD1 3.45Å; K768-N770 WeakPolarHBondContact CE-OD1 3.28Å; N770-L772 HydrophobicContact CB-CD2 3.96Å; N770-L772 PolarHBondContact O-N 2.92Å
771	V	97.5	Very high	95.8	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	114.4	170.7	-172.8	0	0	0	0	106.6	I21 T707 V709 Y750 D774 M783	I21-V771 HydrophobicContact CG2-CB 4.46Å; I21-V771 HydrophobicContact CG2-CG1 4.07Å; I21-V771 WeakPolarHBondContact CG2-O 3.14Å; T707-V771 HydrophobicContact CG2-CG1 3.98Å; V709-V771 HydrophobicContact CG2-CG2 4.22Å; Y750-V771 HydrophobicContact CD1-CB 3.54Å; Y750-V771 HydrophobicContact CD1-CG1 3.82Å; Y750-V771 HydrophobicContact CD1-CG2 3.84Å; Y750-V771 HydrophobicContact CD2-CB 4.46Å; Y750-V771 HydrophobicContact CD2-CG2 4.18Å; Y750-V771 HydrophobicContact CE1-CB 4.1Å; Y750-V771 HydrophobicContact CE1-CG1 4.16Å; Y750-V771 HydrophobicContact CE1-CG2 3.97Å; Y750-V771 HydrophobicContact CE2-CG2 4.3Å; Y750-V771 HydrophobicContact CG-CB 3.74Å; Y750-V771 HydrophobicContact CG-CG2 3.94Å; Y750-V771 PolarHBondContact O-N 3.2Å; V771-D774 HydrophobicContact CG1-CB 4.14Å; V771-M783 HydrophobicContact CG2-CG 3.84Å; V771-M783 HydrophobicContact CG2-SD 4.33Å
772	L	95.2	Very high	96.3	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-27.3	-177.4	-57.2	-167.8	0	0	0	111.9	L20 I21 F680 L684 Y708 V710 N770	L20-L772 HydrophobicContact CD1-CD2 4.43Å; L20-L772 HydrophobicContact CD2-CB 4.14Å; L20-L772 HydrophobicContact CD2-CD2 4.18Å; I21-L772 PolarHBondContact N-O 3.44Å; F680-L772 HydrophobicContact CB-CD1 3.86Å; F680-L772 HydrophobicContact CB-CD2 4.11Å; F680-L772 HydrophobicContact CD1-CD1 4.29Å; F680-L772 HydrophobicContact CD2-CD2 3.49Å; F680-L772 VanDerWaalsContact CD2-CD2 3.49Å; F680-L772 HydrophobicContact CE2-CD2 3.96Å; F680-L772 HydrophobicContact CG-CD1 3.98Å; F680-L772 HydrophobicContact CG-CD2 3.81Å; L684-L772 HydrophobicContact CB-CD1 4.26Å; L684-L772 HydrophobicContact CD1-CB 4.25Å; L684-L772 HydrophobicContact CD2-CB 4.11Å; Y708-L772 HydrophobicContact CD1-CB 4.35Å; Y708-L772 HydrophobicContact CD1-CD1 4.2Å; Y708-L772 HydrophobicContact CD1-CG 4.44Å; Y708-L772 HydrophobicContact CE1-CD1 4.33Å; Y708-L772 PolarHBondContact O-N 3.4Å; V710-L772 HydrophobicContact CB-CD1 4.42Å; V710-L772 HydrophobicContact CG2-CD1 3.49Å; V710-L772 VanDerWaalsContact CG2-CD1 3.49Å; V710-L772 HydrophobicContact CG2-CG 4.04Å; N770-L772 HydrophobicContact CB-CD2 3.96Å; N770-L772 PolarHBondContact O-N 2.92Å
773	Y	96.3	Very high	96.5	Very high	48 Å²	48	27.1 Å²	27.1	19%	0.188	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	143.6	-176.4	-177.5	-90.1	0	0	0	110.4	L684 L688 I706 T707 Y708 D775	L684-Y773 HydrophobicContact CD1-CG 4.29Å; L688-Y773 HydrophobicContact CD1-CD1 4.25Å; L688-Y773 HydrophobicContact CD1-CE1 4.14Å; L688-Y773 HydrophobicContact CD2-CD1 4.18Å; L688-Y773 HydrophobicContact CD2-CD2 3.93Å; L688-Y773 HydrophobicContact CD2-CE1 4.07Å; L688-Y773 HydrophobicContact CD2-CE2 3.79Å; L688-Y773 HydrophobicContact CD2-CG 4.11Å; I706-Y773 HydrophobicContact CB-CE1 4.37Å; I706-Y773 HydrophobicContact CG2-CD1 4.45Å; I706-Y773 WeakPolarHBondContact O-CD1 3.48Å; T707-Y773 CarbonylContact C-O 3.55Å; T707-Y773 WeakPolarHBondContact CA-O 3.47Å; Y708-Y773 PolarHBondContact N-O 3.03Å; Y773-D775 HydrophobicContact CE1-CB 4.39Å; Y773-D775 WeakPolarHBondContact CE1-OD1 3.44Å; Y773-D775 VanDerWaalsContact CE1-OD2 3.24Å; Y773-D775 WeakPolarHBondContact CE1-OD2 3.49Å; Y773-D775 PolarHBondContact OH-OD1 3.19Å; Y773-D775 PolarHBondContact OH-OD2 2.9Å
774	D	95.9	Very high	96.7	Very high	13 Å²	13	26 Å²	26	7%	0.07	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	109.6	177.9	-173.1	32.8	0	0	0	113.7	I21 I706 T707 V771 N776 N777 L778	I21-D774 HydrophobicContact CD1-CB 3.62Å; I706-D774 CarbonylContact O-C 3.55Å; I706-D774 WeakPolarHBondContact O-CA 3.15Å; T707-D774 WeakPolarHBondContact CB-OD1 3.43Å; T707-D774 HydrophobicContact CG2-CB 4.13Å; T707-D774 PolarHBondContact OG1-OD1 3.49Å; V771-D774 HydrophobicContact CG1-CB 4.14Å; D774-N776 WeakPolarHBondContact OD1-CA 3.4Å; D774-N776 WeakPolarHBondContact OD1-CB 3.46Å; D774-N776 PolarHBondContact OD1-N 2.94Å; D774-N777 WeakPolarHBondContact OD2-CA 3.21Å; D774-N777 PolarHBondContact OD2-N 3.5Å; D774-N777 VanDerWaalsContact OD2-N 3.17Å; D774-L778 PolarHBondContact OD2-N 3.24Å
775	D	94.5	Very high	96.9	Very high	58 Å²	58	26.5 Å²	26.5	31%	0.31	13%	0.133	S	C	.	.	S	Bend	trans	-87.9	-9.9	167.5	-65.8	-36	0	0	0	112.5	R692 I706 Y773 N777	R692-D775 IonicContact CZ-OD2 3.96Å; R692-D775 IonicContact NH2-OD2 3.6Å; R692-D775 PolarHBondContact NH2-OD2 3.17Å; I706-D775 PolarHBondContact O-N 3.07Å; Y773-D775 HydrophobicContact CE1-CB 4.39Å; Y773-D775 WeakPolarHBondContact CE1-OD1 3.44Å; Y773-D775 VanDerWaalsContact CE1-OD2 3.24Å; Y773-D775 WeakPolarHBondContact CE1-OD2 3.49Å; Y773-D775 PolarHBondContact OH-OD1 3.19Å; Y773-D775 PolarHBondContact OH-OD2 2.9Å; D775-N777 VanDerWaalsContact C-N 3.32Å
776	N	95	Very high	97	Very high	20 Å²	20	23.5 Å²	23.5	11%	0.107	12%	0.12	C	C	.	.	S	Bend	trans	-88.5	-2.6	-174.5	-67.8	-62.7	0	0	0	113.3	R667 I668 G705 I706 T707 D774 L778	R667-N776 WeakPolarHBondContact CG-OD1 3.29Å; R667-N776 PolarHBondContact NE-OD1 3.11Å; R667-N776 PolarHBondContact NH2-O 3.15Å; I668-N776 PolarHBondContact O-ND2 3.41Å; G705-N776 WeakPolarHBondContact CA-OD1 3.4Å; G705-N776 PolarHBondContact O-ND2 2.92Å; G705-N776 PolarHBondContact O-OD1 3.45Å; I706-N776 PolarHBondContact N-ND2 3.39Å; T707-N776 PolarHBondContact N-ND2 2.83Å; T707-N776 PolarHBondContact OG1-ND2 3.42Å; D774-N776 WeakPolarHBondContact OD1-CA 3.4Å; D774-N776 WeakPolarHBondContact OD1-CB 3.46Å; D774-N776 PolarHBondContact OD1-N 2.94Å; N776-L778 VanDerWaalsContact C-N 3.25Å; N776-L778 HydrophobicContact CB-CD1 4.45Å; N776-L778 HydrophobicContact CB-CD2 4.15Å; N776-L778 HydrophobicContact CB-CG 3.9Å; N776-L778 PolarHBondContact O-N 3.23Å
777	N	94.8	Very high	97.1	Very high	133 Å²	133	23.5 Å²	23.5	71%	0.711	12%	0.12	S	C	*	.			trans	51.7	42.6	-179.4	-59	-55.1	0	0	0	112.6	D774 D775 K779	D774-N777 WeakPolarHBondContact OD2-CA 3.21Å; D774-N777 PolarHBondContact OD2-N 3.5Å; D774-N777 VanDerWaalsContact OD2-N 3.17Å; D775-N777 VanDerWaalsContact C-N 3.32Å; N777-K779 PolarHBondContact O-N 2.93Å
778	L	95.7	Very high	97.1	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.119	C	C	.	.			trans	-72.7	109.4	177.1	-58.6	-176.4	0	0	0	109.6	I669 T707 Y750 D774 N776 T782 M783 I786	I669-L778 HydrophobicContact CD1-CD1 3.87Å; I669-L778 HydrophobicContact CG1-CD1 4.33Å; T707-L778 HydrophobicContact CG2-CD1 4.06Å; T707-L778 WeakPolarHBondContact OG1-CD1 3.13Å; Y750-L778 WeakPolarHBondContact CE1-O 3.49Å; Y750-L778 PolarHBondContact OH-O 3.19Å; D774-L778 PolarHBondContact OD2-N 3.24Å; N776-L778 VanDerWaalsContact C-N 3.25Å; N776-L778 HydrophobicContact CB-CD1 4.45Å; N776-L778 HydrophobicContact CB-CD2 4.15Å; N776-L778 HydrophobicContact CB-CG 3.9Å; N776-L778 PolarHBondContact O-N 3.23Å; L778-T782 HydrophobicContact CD2-CG2 4.03Å; L778-M783 HydrophobicContact CB-CB 4.42Å; L778-M783 HydrophobicContact CD1-SD 3.84Å; L778-I786 HydrophobicContact CD1-CD1 4.33Å
779	K	97.6	Very high	97.1	Very high	103 Å²	103	23.4 Å²	23.4	45%	0.448	12%	0.119	S	C	.	.			trans	-64.9	162	169.9	-62.5	-53.8	-167.6	170.1	0	112.3	P24 D25 Y750 N777 D781 T782 M783	P24-K779 HydrophobicContact CB-CD 3.97Å; P24-K779 HydrophobicContact CG-CD 4.26Å; D25-K779 WeakPolarHBondContact OD2-CB 3.44Å; D25-K779 WeakPolarHBondContact OD2-CD 3.48Å; Y750-K779 PolarHBondContact OH-O 3.4Å; N777-K779 PolarHBondContact O-N 2.93Å; K779-D781 PolarHBondContact O-N 2.97Å; K779-T782 WeakPolarHBondContact O-CB 3.15Å; K779-T782 PolarHBondContact O-N 3.45Å; K779-T782 VanDerWaalsContact O-N 3.15Å; K779-M783 PolarHBondContact O-N 2.86Å
780	A	97.6	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-55.1	-50.9	-171.9	0	0	0	0	0	112.7	D25 Y750 T782 M783 Q784	D25-A780 WeakPolarHBondContact O-CB 3.31Å; D25-A780 WeakPolarHBondContact OD1-CB 3.49Å; D25-A780 PolarHBondContact OD1-N 2.94Å; Y750-A780 HydrophobicContact CE2-CB 4.39Å; Y750-A780 VanDerWaalsContact OH-CA 3.3Å; Y750-A780 WeakPolarHBondContact OH-CA 3.09Å; Y750-A780 PolarHBondContact OH-N 3.33Å; Y750-A780 VanDerWaalsContact OH-N 3.17Å; A780-T782 VanDerWaalsContact C-N 3.31Å; A780-T782 PolarHBondContact O-N 3.47Å; A780-M783 PolarHBondContact O-N 2.87Å; A780-Q784 VanDerWaalsContact O-CB 3.27Å; A780-Q784 WeakPolarHBondContact O-CB 3.24Å; A780-Q784 VanDerWaalsContact O-CD 3.24Å; A780-Q784 WeakPolarHBondContact O-CG 3.26Å; A780-Q784 PolarHBondContact O-N 3.12Å
781	D	98.4	Very high	97	Very high	26 Å²	26	23.1 Å²	23.1	14%	0.139	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-41.2	-179.8	-77.2	-37.4	0	0	0	111.9	G27 T28 E29 R425 K779 A785	G27-D781 WeakPolarHBondContact CA-OD1 3.43Å; T28-D781 VanDerWaalsContact N-CG 3.3Å; T28-D781 PolarHBondContact N-OD1 3.5Å; T28-D781 PolarHBondContact N-OD2 2.91Å; T28-D781 PolarHBondContact OG1-OD2 2.67Å; E29-D781 HydrophobicContact CB-CB 4.34Å; E29-D781 HydrophobicContact CG-CB 4.12Å; E29-D781 PolarHBondContact N-OD1 2.96Å; E29-D781 PolarHBondContact N-OD2 2.65Å; R425-D781 IonicContact CZ-OD1 2.89Å; R425-D781 IonicContact NH1-OD1 2.75Å; R425-D781 PolarHBondContact NH1-OD1 2.75Å; R425-D781 IonicContact NH2-OD1 2.83Å; K779-D781 PolarHBondContact O-N 2.97Å; D781-A785 WeakPolarHBondContact O-CB 3.49Å; D781-A785 PolarHBondContact O-N 3.5Å
782	T	98.1	Very high	96.9	Very high	31 Å²	31	23 Å²	23	19%	0.19	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-48.3	176.9	-57.2	0	0	0	0	111.8	F603 N607 L778 K779 A780 A785 I786	F603-T782 HydrophobicContact CE2-CG2 4.37Å; F603-T782 HydrophobicContact CZ-CG2 4.43Å; N607-T782 HydrophobicContact CB-CG2 4.46Å; N607-T782 VanDerWaalsContact OD1-CG2 3.25Å; N607-T782 WeakPolarHBondContact OD1-CG2 3.36Å; L778-T782 HydrophobicContact CD2-CG2 4.03Å; K779-T782 WeakPolarHBondContact O-CB 3.15Å; K779-T782 PolarHBondContact O-N 3.45Å; K779-T782 VanDerWaalsContact O-N 3.15Å; A780-T782 VanDerWaalsContact C-N 3.31Å; A780-T782 PolarHBondContact O-N 3.47Å; T782-A785 PolarHBondContact O-N 3.21Å; T782-I786 HydrophobicContact CG2-CD1 3.85Å; T782-I786 HydrophobicContact CG2-CG1 4.48Å; T782-I786 WeakPolarHBondContact O-CB 3.41Å; T782-I786 VanDerWaalsContact O-CG1 3.25Å; T782-I786 WeakPolarHBondContact O-CG1 3.46Å; T782-I786 PolarHBondContact O-N 3.33Å
783	M	98.2	Very high	96.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-41.4	-178.2	-171.4	67	-94.2	0	0	111.7	I669 F671 T707 V709 Y750 F752 V771 L778 K779 A780 I786 A787	I669-M783 HydrophobicContact CG2-CE 4.33Å; F671-M783 HydrophobicContact CE1-CE 3.96Å; F671-M783 HydrophobicContact CZ-CE 3.54Å; T707-M783 HydrophobicContact CG2-SD 4.01Å; V709-M783 HydrophobicContact CG2-CE 4.4Å; V709-M783 HydrophobicContact CG2-SD 4.01Å; Y750-M783 WeakPolarHBondContact OH-CB 3.41Å; F752-M783 HydrophobicContact CE1-CG 4.19Å; F752-M783 HydrophobicContact CZ-CG 4.48Å; V771-M783 HydrophobicContact CG2-CG 3.84Å; V771-M783 HydrophobicContact CG2-SD 4.33Å; L778-M783 HydrophobicContact CB-CB 4.42Å; L778-M783 HydrophobicContact CD1-SD 3.84Å; K779-M783 PolarHBondContact O-N 2.86Å; A780-M783 PolarHBondContact O-N 2.87Å; M783-I786 HydrophobicContact CE-CB 4.11Å; M783-I786 HydrophobicContact CE-CG2 4.03Å; M783-A787 WeakPolarHBondContact O-CB 3.18Å; M783-A787 PolarHBondContact O-N 2.91Å
784	Q	98.7	Very high	96.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-44.4	177.4	-67.5	164	8.6	0	0	111.4	L427 V739 D741 F752 A780 A787 Y788	L427-Q784 HydrophobicContact CD1-CB 4.04Å; V739-Q784 HydrophobicContact CG1-CG 4.07Å; V739-Q784 HydrophobicContact CG2-CB 4.43Å; D741-Q784 PolarHBondContact OD2-NE2 2.75Å; F752-Q784 HydrophobicContact CD1-CG 4.02Å; F752-Q784 HydrophobicContact CD2-CG 3.84Å; F752-Q784 HydrophobicContact CE1-CG 4.02Å; F752-Q784 HydrophobicContact CE2-CB 4.33Å; F752-Q784 HydrophobicContact CE2-CG 3.83Å; F752-Q784 HydrophobicContact CG-CG 3.92Å; F752-Q784 HydrophobicContact CZ-CB 4.46Å; F752-Q784 HydrophobicContact CZ-CG 3.92Å; A780-Q784 VanDerWaalsContact O-CB 3.27Å; A780-Q784 WeakPolarHBondContact O-CB 3.24Å; A780-Q784 VanDerWaalsContact O-CD 3.24Å; A780-Q784 WeakPolarHBondContact O-CG 3.26Å; A780-Q784 PolarHBondContact O-N 3.12Å; Q784-A787 PolarHBondContact O-N 3.38Å; Q784-Y788 WeakPolarHBondContact O-CB 3.39Å; Q784-Y788 PolarHBondContact O-N 2.89Å
785	A	98.4	Very high	96.3	Very high	14 Å²	14	22.2 Å²	22.2	12%	0.116	12%	0.115	C	C	.	.	H	α-helix	trans	-66.4	-43.6	177.1	0	0	0	0	0	112.1	F603 D781 T782 A787 Y788 Y789	F603-A785 HydrophobicContact CE1-CB 3.92Å; F603-A785 HydrophobicContact CE2-CB 3.85Å; F603-A785 HydrophobicContact CZ-CB 3.35Å; D781-A785 WeakPolarHBondContact O-CB 3.49Å; D781-A785 PolarHBondContact O-N 3.5Å; T782-A785 PolarHBondContact O-N 3.21Å; A785-A787 VanDerWaalsContact C-N 3.35Å; A785-A787 PolarHBondContact O-N 3.11Å; A785-Y788 PolarHBondContact O-N 3.4Å; A785-Y789 WeakPolarHBondContact O-CB 3.36Å; A785-Y789 WeakPolarHBondContact O-CD2 3.5Å; A785-Y789 PolarHBondContact O-N 2.87Å
786	I	97.7	Very high	96.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.1	-49	173.6	-71.5	167.8	0	0	0	110.4	F603 N607 L608 I669 F671 L778 T782 M783 Y788 Y789 L790	F603-I786 HydrophobicContact CE1-CG1 4.2Å; F603-I786 HydrophobicContact CZ-CG1 4.01Å; N607-I786 HydrophobicContact CB-CD1 4.18Å; N607-I786 HydrophobicContact CB-CG1 4.46Å; L608-I786 HydrophobicContact CD2-CG1 4.45Å; L608-I786 HydrophobicContact CD2-CG2 4.36Å; I669-I786 HydrophobicContact CD1-CD1 3.95Å; I669-I786 HydrophobicContact CD1-CG2 4.34Å; F671-I786 HydrophobicContact CZ-CG2 4.36Å; L778-I786 HydrophobicContact CD1-CD1 4.33Å; T782-I786 HydrophobicContact CG2-CD1 3.85Å; T782-I786 HydrophobicContact CG2-CG1 4.48Å; T782-I786 WeakPolarHBondContact O-CB 3.41Å; T782-I786 VanDerWaalsContact O-CG1 3.25Å; T782-I786 WeakPolarHBondContact O-CG1 3.46Å; T782-I786 PolarHBondContact O-N 3.33Å; M783-I786 HydrophobicContact CE-CB 4.11Å; M783-I786 HydrophobicContact CE-CG2 4.03Å; I786-Y788 VanDerWaalsContact C-N 3.29Å; I786-Y788 PolarHBondContact O-N 2.98Å; I786-Y789 PolarHBondContact O-N 2.96Å; I786-L790 HydrophobicContact CG2-CD1 3.7Å; I786-L790 HydrophobicContact CG2-CG 4.31Å; I786-L790 WeakPolarHBondContact O-CB 3.39Å; I786-L790 WeakPolarHBondContact O-CG 3.39Å; I786-L790 PolarHBondContact O-N 2.93Å
787	A	98.1	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.3	-42.4	178.6	0	0	0	0	0	111.8	F671 F752 L754 Y769 M783 Q784 A785 C791	F671-A787 HydrophobicContact CE1-CB 4.28Å; F671-A787 HydrophobicContact CZ-CB 4.45Å; F752-A787 HydrophobicContact CE2-CB 4.48Å; F752-A787 HydrophobicContact CZ-CB 4.28Å; L754-A787 HydrophobicContact CD2-CB 4.03Å; Y769-A787 HydrophobicContact CD1-CB 4.14Å; Y769-A787 HydrophobicContact CE1-CB 3.7Å; M783-A787 WeakPolarHBondContact O-CB 3.18Å; M783-A787 PolarHBondContact O-N 2.91Å; Q784-A787 PolarHBondContact O-N 3.38Å; A785-A787 VanDerWaalsContact C-N 3.35Å; A785-A787 PolarHBondContact O-N 3.11Å; A787-C791 PolarHBondContact O-SG 3.06Å
788	Y	98.3	Very high	96.1	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-69.2	-43.5	178.2	-174.6	-141.6	0	0	0	112.7	L427 P429 A736 G737 L754 Q784 A785 I786 L790 C791 H792	L427-Y788 HydrophobicContact CB-CD1 3.95Å; L427-Y788 HydrophobicContact CB-CE1 4.19Å; L427-Y788 HydrophobicContact CD1-CD1 4.47Å; P429-Y788 HydrophobicContact CB-CE1 4.32Å; A736-Y788 PolarHBondContact O-OH 2.76Å; G737-Y788 WeakPolarHBondContact CA-OH 3.35Å; G737-Y788 PolarHBondContact N-OH 3.22Å; L754-Y788 HydrophobicContact CD1-CD2 4.13Å; L754-Y788 HydrophobicContact CD1-CG 4.27Å; Q784-Y788 WeakPolarHBondContact O-CB 3.39Å; Q784-Y788 PolarHBondContact O-N 2.89Å; A785-Y788 PolarHBondContact O-N 3.4Å; I786-Y788 VanDerWaalsContact C-N 3.29Å; I786-Y788 PolarHBondContact O-N 2.98Å; Y788-L790 PolarHBondContact O-N 3.37Å; Y788-C791 VanDerWaalsContact O-CB 3.26Å; Y788-C791 WeakPolarHBondContact O-CB 3.44Å; Y788-C791 PolarHBondContact O-N 3.02Å; Y788-H792 AromaticContact CD2-CE1 3.65Å; Y788-H792 AromaticContact CE2-CE1 3.31Å; Y788-H792 WeakPolarHBondContact CE2-CE1 3.44Å; Y788-H792 AromaticContact CE2-NE2 3.95Å; Y788-H792 AromaticContact CZ-CE1 3.53Å; Y788-H792 AromaticContact CZ-NE2 3.95Å; Y788-H792 PolarHBondContact O-CE1 2.9Å; Y788-H792 PolarHBondContact O-ND1 3.41Å
789	Y	97.4	Very high	96.1	Very high	20 Å²	20	21 Å²	21	8%	0.078	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-44.7	-179	-81.8	-144.6	0	0	0	110.8	P430 L598 F603 V604 A785 I786 C791 H792	P430-Y789 HydrophobicContact CB-CD1 3.66Å; P430-Y789 HydrophobicContact CB-CD2 3.91Å; P430-Y789 HydrophobicContact CB-CE1 3.7Å; P430-Y789 HydrophobicContact CB-CE2 3.96Å; P430-Y789 HydrophobicContact CB-CG 3.75Å; P430-Y789 HydrophobicContact CG-CD1 4.5Å; P430-Y789 HydrophobicContact CG-CD2 4.11Å; P430-Y789 HydrophobicContact CG-CE2 4.46Å; P430-Y789 HydrophobicContact CG-CG 4.12Å; L598-Y789 HydrophobicContact CD1-CD1 4.37Å; L598-Y789 HydrophobicContact CD2-CD1 4.5Å; F603-Y789 HydrophobicContact CD1-CD1 4.01Å; F603-Y789 AromaticContact CD1-CE1 3.61Å; F603-Y789 HydrophobicContact CD1-CE1 3.61Å; F603-Y789 HydrophobicContact CE1-CD1 4.11Å; F603-Y789 HydrophobicContact CE1-CE1 4.1Å; V604-Y789 HydrophobicContact CG2-CD1 3.84Å; V604-Y789 HydrophobicContact CG2-CE1 3.85Å; A785-Y789 WeakPolarHBondContact O-CB 3.36Å; A785-Y789 WeakPolarHBondContact O-CD2 3.5Å; A785-Y789 PolarHBondContact O-N 2.87Å; I786-Y789 PolarHBondContact O-N 2.96Å; Y789-C791 PolarHBondContact O-N 3.13Å; Y789-C791 VanDerWaalsContact O-N 3.1Å; Y789-H792 WeakPolarHBondContact O-CB 3.45Å; Y789-H792 PolarHBondContact O-N 3.26Å
790	L	96.4	Very high	96	Very high	6 Å²	6	16.3 Å²	16.3	3%	0.031	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.2	177.3	-66.5	171.2	0	0	0	113.6	V615 F671 I786 Y788 H792 I793 P804 A805	V615-L790 HydrophobicContact CG1-CD1 3.71Å; V615-L790 HydrophobicContact CG1-CD2 4.46Å; V615-L790 HydrophobicContact CG2-CD1 4.41Å; V615-L790 HydrophobicContact CG2-CD2 4.49Å; F671-L790 HydrophobicContact CD2-CD1 4.38Å; F671-L790 HydrophobicContact CE2-CD1 3.52Å; F671-L790 HydrophobicContact CZ-CD1 4.02Å; I786-L790 HydrophobicContact CG2-CD1 3.7Å; I786-L790 HydrophobicContact CG2-CG 4.31Å; I786-L790 WeakPolarHBondContact O-CB 3.39Å; I786-L790 WeakPolarHBondContact O-CG 3.39Å; I786-L790 PolarHBondContact O-N 2.93Å; Y788-L790 PolarHBondContact O-N 3.37Å; L790-H792 VanDerWaalsContact C-N 3.25Å; L790-H792 PolarHBondContact O-N 3.3Å; L790-I793 HydrophobicContact CD2-CD1 3.78Å; L790-I793 WeakPolarHBondContact O-CG1 3.46Å; L790-P804 HydrophobicContact CB-CB 3.79Å; L790-P804 HydrophobicContact CD1-CB 4.31Å; L790-A805 VanDerWaalsContact O-CB 3.3Å; L790-A805 WeakPolarHBondContact O-CB 3.44Å; L790-A805 PolarHBondContact O-N 3.26Å
791	C	96.8	Very high	95.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.3	173.2	-65.5	0	0	0	0	113.4	S756 A787 Y788 Y789 S800 V801	S756-C791 VanDerWaalsContact CB-SG 3.55Å; A787-C791 PolarHBondContact O-SG 3.06Å; Y788-C791 VanDerWaalsContact O-CB 3.26Å; Y788-C791 WeakPolarHBondContact O-CB 3.44Å; Y788-C791 PolarHBondContact O-N 3.02Å; Y789-C791 PolarHBondContact O-N 3.13Å; Y789-C791 VanDerWaalsContact O-N 3.1Å; C791-S800 VanDerWaalsContact O-CA 3.29Å; C791-S800 WeakPolarHBondContact O-CA 3.34Å; C791-V801 HydrophobicContact CB-CG2 4.48Å; C791-V801 VanDerWaalsContact CB-O 3.3Å; C791-V801 WeakPolarHBondContact CB-O 2.83Å; C791-V801 WeakPolarHBondContact O-CG2 3.26Å; C791-V801 PolarHBondContact O-N 3.03Å; C791-V801 PolarHBondContact SG-O 3.44Å
792	H	96.4	Very high	95.8	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.086	C	C	.	.	S	Bend	trans	-94.6	-12.4	-178.4	-63	78.8	0	0	0	113.5	P430 L432 W450 Y788 Y789 L790	P430-H792 WeakPolarHBondContact CD-CE1 3.28Å; P430-H792 HydrophobicContact CG-CB 3.93Å; P430-H792 WeakPolarHBondContact CG-ND1 3.47Å; L432-H792 HydrophobicContact CD2-CB 4.04Å; W450-H792 HydrophobicContact CH2-CB 4.43Å; W450-H792 WeakPolarHBondContact CH2-O 3.3Å; W450-H792 AromaticContact CZ3-CD2 3.95Å; Y788-H792 AromaticContact CD2-CE1 3.65Å; Y788-H792 AromaticContact CE2-CE1 3.31Å; Y788-H792 WeakPolarHBondContact CE2-CE1 3.44Å; Y788-H792 AromaticContact CE2-NE2 3.95Å; Y788-H792 AromaticContact CZ-CE1 3.53Å; Y788-H792 AromaticContact CZ-NE2 3.95Å; Y788-H792 PolarHBondContact O-CE1 2.9Å; Y788-H792 PolarHBondContact O-ND1 3.41Å; Y789-H792 WeakPolarHBondContact O-CB 3.45Å; Y789-H792 PolarHBondContact O-N 3.26Å; L790-H792 VanDerWaalsContact C-N 3.25Å; L790-H792 PolarHBondContact O-N 3.3Å
793	I	93.3	Very high	95.7	Very high	23 Å²	23	15.4 Å²	15.4	12%	0.118	8%	0.077	C	C	.	.			trans	-100.9	22.7	-177.4	60.2	167	0	0	0	113.7	L598 L790 G795 A805	L598-I793 HydrophobicContact CD1-CG2 4.46Å; L598-I793 HydrophobicContact CD2-CG2 3.89Å; L598-I793 HydrophobicContact CG-CG2 3.74Å; L790-I793 HydrophobicContact CD2-CD1 3.78Å; L790-I793 WeakPolarHBondContact O-CG1 3.46Å; I793-G795 PolarHBondContact O-N 3.48Å; I793-A805 HydrophobicContact CG1-CB 3.92Å
794	Y	92.7	Very high	95.6	Very high	18 Å²	18	15.3 Å²	15.3	7%	0.071	8%	0.077	C	C	.	.			trans	-65	-24.4	177.2	-177.6	-127.1	0	0	0	113.4	R796 V801 A805 Y808 F809 L812	Y794-R796 HydrophobicContact CD1-CB 3.93Å; Y794-R796 HydrophobicContact CD1-CG 4.45Å; Y794-R796 HydrophobicContact CE1-CB 3.67Å; Y794-R796 HydrophobicContact CE1-CG 4.07Å; Y794-R796 VanDerWaalsContact CZ-CD 3.4Å; Y794-R796 PolarHBondContact O-N 3.26Å; Y794-R796 WeakPolarHBondContact OH-CD 3.48Å; Y794-R796 PolarHBondContact OH-NH1 3.36Å; Y794-V801 HydrophobicContact CD1-CG1 3.43Å; Y794-V801 VanDerWaalsContact CD1-CG1 3.43Å; Y794-V801 HydrophobicContact CE1-CG1 4.05Å; Y794-V801 HydrophobicContact CG-CG1 3.82Å; Y794-V801 HydrophobicContact CG-CG2 4.13Å; Y794-A805 HydrophobicContact CD2-CB 4.48Å; Y794-Y808 HydrophobicContact CD2-CG 4.36Å; Y794-Y808 HydrophobicContact CE2-CD1 4.28Å; Y794-Y808 AromaticContact CE2-CG 3.97Å; Y794-Y808 HydrophobicContact CE2-CG 3.97Å; Y794-F809 HydrophobicContact CD2-CD1 4.28Å; Y794-F809 AromaticContact CD2-CE1 3.77Å; Y794-F809 HydrophobicContact CD2-CE1 3.77Å; Y794-F809 HydrophobicContact CD2-CZ 4.01Å; Y794-F809 HydrophobicContact CE2-CD1 4.09Å; Y794-F809 AromaticContact CE2-CE1 3.86Å; Y794-F809 HydrophobicContact CE2-CE1 3.86Å; Y794-F809 WeakPolarHBondContact O-CE1 3.37Å; Y794-F809 WeakPolarHBondContact O-CZ 3.49Å; Y794-L812 HydrophobicContact CE2-CD1 4.3Å
795	G	89.2	Confident	95.5	Very high	6 Å²	6	15.3 Å²	15.3	6%	0.062	8%	0.077	C	C	.	.			trans	70.3	-20.9	169.8	0	0	0	0	0	116.3	M589 N595 I793 C797	M589-G795 WeakPolarHBondContact CE-O 3.44Å; N595-G795 PolarHBondContact ND2-O 2.88Å; I793-G795 PolarHBondContact O-N 3.48Å; G795-C797 VanDerWaalsContact C-N 3.32Å; G795-C797 PolarHBondContact O-N 2.94Å
796	R	92	Very high	95.2	Very high	57 Å²	57	15 Å²	15	22%	0.215	7%	0.073	C	C	.	.	S	Bend	trans	-80.5	-10.4	-179.4	-64.3	176.5	88.8	-152.2	6.9	114	M589 Y794 V863	M589-R796 HydrophobicContact CE-CB 4.18Å; M589-R796 HydrophobicContact CE-CG 3.52Å; Y794-R796 HydrophobicContact CD1-CB 3.93Å; Y794-R796 HydrophobicContact CD1-CG 4.45Å; Y794-R796 HydrophobicContact CE1-CB 3.67Å; Y794-R796 HydrophobicContact CE1-CG 4.07Å; Y794-R796 VanDerWaalsContact CZ-CD 3.4Å; Y794-R796 PolarHBondContact O-N 3.26Å; Y794-R796 WeakPolarHBondContact OH-CD 3.48Å; Y794-R796 PolarHBondContact OH-NH1 3.36Å; R796-V863 HydrophobicContact CG-CG1 3.67Å; R796-V863 PolarHBondContact NE-OXT 3.44Å; R796-V863 PolarHBondContact NH2-OXT 2.98Å
797	C	93.2	Very high	95	Very high	34 Å²	34	15 Å²	15	23%	0.23	7%	0.073	C	C	.	.	S	Bend	trans	-153.8	162.7	178.4	57	0	0	0	0	110.3	G795 R799	G795-C797 VanDerWaalsContact C-N 3.32Å; G795-C797 PolarHBondContact O-N 2.94Å; C797-R799 PolarHBondContact O-N 3.24Å; C797-R799 PolarHBondContact SG-O 3.14Å
798	M	93.6	Very high	94.7	Very high	19 Å²	19	17.9 Å²	17.9	9%	0.094	9%	0.085	C	C	.	.	S	Bend	trans	-89.5	42.4	174	-58.5	169.9	-78.8	0	0	111.7	W450 M452 M578 T581 L585	W450-M798 HydrophobicContact CD2-CB 4.39Å; W450-M798 HydrophobicContact CG-CB 4.44Å; W450-M798 PolarHBondContact N-O 2.94Å; W450-M798 VanDerWaalsContact N-O 3.13Å; W450-M798 VanDerWaalsContact O-CB 3.28Å; W450-M798 WeakPolarHBondContact O-CB 3.32Å; M452-M798 HydrophobicContact CB-SD 4Å; M452-M798 HydrophobicContact CE-CG 4.16Å; M452-M798 HydrophobicContact CE-SD 3.68Å; M452-M798 HydrophobicContact CG-CG 4.14Å; M452-M798 HydrophobicContact CG-SD 3.68Å; M452-M798 HydrophobicContact SD-CG 4.35Å; M452-M798 HydrophobicContact SD-SD 4.26Å; M578-M798 HydrophobicContact CE-CE 4.19Å; M578-M798 HydrophobicContact SD-CE 3.75Å; T581-M798 HydrophobicContact CG2-CE 4.42Å; L585-M798 HydrophobicContact CD1-CG 4.41Å
799	R	95.4	Very high	94.5	Very high	79 Å²	79	18.1 Å²	18.1	30%	0.298	9%	0.086	S	C	.	.	B	Isolated β-bridge	trans	-142.1	146.8	-179.6	-53.6	-178.9	107.2	-126.1	6	108.8	G448 T449 W450 T758 C797	G448-R799 CarbonylContact O-C 3.55Å; G448-R799 VanDerWaalsContact O-CA 3.23Å; G448-R799 WeakPolarHBondContact O-CA 3.36Å; T449-R799 HydrophobicContact CG2-CB 4.45Å; T449-R799 HydrophobicContact CG2-CG 3.96Å; T449-R799 VanDerWaalsContact CG2-NE 3.35Å; W450-R799 VanDerWaalsContact CH2-C 3.48Å; T758-R799 PolarHBondContact O-NH1 3.15Å; T758-R799 VanDerWaalsContact O-NH1 3.1Å; C797-R799 PolarHBondContact O-N 3.24Å; C797-R799 PolarHBondContact SG-O 3.14Å
800	S	96.6	Very high	94.2	Very high	6 Å²	6	17.1 Å²	17.1	4%	0.042	8%	0.082	C	C	.	.			trans	-69.5	150.3	169.8	60.5	0	0	0	0	109.9	G448 S756 H757 C791	G448-S800 WeakPolarHBondContact CA-OG 3.39Å; G448-S800 PolarHBondContact O-N 3.21Å; G448-S800 PolarHBondContact O-OG 3.25Å; S756-S800 WeakPolarHBondContact O-CB 3.4Å; S756-S800 PolarHBondContact O-OG 2.95Å; H757-S800 VanDerWaalsContact CB-O 3.3Å; H757-S800 WeakPolarHBondContact CB-O 3.22Å; C791-S800 VanDerWaalsContact O-CA 3.29Å; C791-S800 WeakPolarHBondContact O-CA 3.34Å
801	V	96	Very high	94	Very high	15 Å²	15	19.4 Å²	19.4	9%	0.091	9%	0.092	C	C	.	.			trans	-110.5	165.8	-177.7	-70.1	0	0	0	0	111.6	S756 C791 Y794 I803 Y808	S756-V801 WeakPolarHBondContact CB-O 3.28Å; S756-V801 PolarHBondContact OG-O 2.84Å; C791-V801 HydrophobicContact CB-CG2 4.48Å; C791-V801 VanDerWaalsContact CB-O 3.3Å; C791-V801 WeakPolarHBondContact CB-O 2.83Å; C791-V801 WeakPolarHBondContact O-CG2 3.26Å; C791-V801 PolarHBondContact O-N 3.03Å; C791-V801 PolarHBondContact SG-O 3.44Å; Y794-V801 HydrophobicContact CD1-CG1 3.43Å; Y794-V801 VanDerWaalsContact CD1-CG1 3.43Å; Y794-V801 HydrophobicContact CE1-CG1 4.05Å; Y794-V801 HydrophobicContact CG-CG1 3.82Å; Y794-V801 HydrophobicContact CG-CG2 4.13Å; V801-I803 VanDerWaalsContact C-N 3.28Å; V801-I803 VanDerWaalsContact CG2-O 3.25Å; V801-I803 WeakPolarHBondContact CG2-O 3.16Å; V801-I803 PolarHBondContact O-N 2.72Å; V801-Y808 HydrophobicContact CB-CD2 3.87Å; V801-Y808 HydrophobicContact CB-CE2 3.66Å; V801-Y808 HydrophobicContact CG1-CE2 4.34Å; V801-Y808 HydrophobicContact CG2-CD2 3.72Å; V801-Y808 HydrophobicContact CG2-CE2 4.03Å
802	S	95.3	Very high	93.8	Very high	22 Å²	22	20.8 Å²	20.8	15%	0.154	10%	0.099	C	C	.	.	S	Bend	trans	-71.6	-14.6	-170.9	63.7	0	0	0	0	116	S756 H757 A767 Y808	S756-S802 VanDerWaalsContact OG-C 3.29Å; S756-S802 VanDerWaalsContact OG-CA 3.28Å; S756-S802 WeakPolarHBondContact OG-CA 3.5Å; S756-S802 PolarHBondContact OG-O 3.34Å; H757-S802 VanDerWaalsContact CE1-CB 3.45Å; H757-S802 WeakPolarHBondContact CE1-CB 3.27Å; H757-S802 WeakPolarHBondContact ND1-CA 3.48Å; H757-S802 WeakPolarHBondContact ND1-CB 3.42Å; A767-S802 WeakPolarHBondContact CB-O 3.44Å; S802-Y808 PolarHBondContact OG-OH 3.15Å
803	I	96.7	Very high	93.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-145.2	160.2	-178.9	60.4	176.5	0	0	0	109	V711 A767 V801 A805 V807 Y808	V711-I803 HydrophobicContact CG1-CB 4.1Å; V711-I803 HydrophobicContact CG1-CG2 3.5Å; A767-I803 HydrophobicContact CB-CG2 3.9Å; V801-I803 VanDerWaalsContact C-N 3.28Å; V801-I803 VanDerWaalsContact CG2-O 3.25Å; V801-I803 WeakPolarHBondContact CG2-O 3.16Å; V801-I803 PolarHBondContact O-N 2.72Å; I803-A805 PolarHBondContact O-N 3.07Å; I803-V807 HydrophobicContact CD1-CB 4.11Å; I803-V807 HydrophobicContact CD1-CG1 3.77Å; I803-Y808 HydrophobicContact CD1-CD2 3.9Å; I803-Y808 HydrophobicContact CD1-CE2 4.06Å; I803-Y808 HydrophobicContact CD1-CG 4.15Å; I803-Y808 HydrophobicContact CG1-CD2 3.22Å; I803-Y808 HydrophobicContact CG1-CE2 3.38Å; I803-Y808 HydrophobicContact CG1-CG 3.93Å
804	P	96.6	Very high	93.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.			trans	-56.9	139.3	-176.6	-26.6	38.8	0	0	0	111.9	F671 Y769 L790 P806 V807 Y808	F671-P804 HydrophobicContact CD1-CG 3.95Å; F671-P804 HydrophobicContact CD2-CB 4.48Å; F671-P804 HydrophobicContact CD2-CG 4.5Å; F671-P804 HydrophobicContact CE1-CG 4.01Å; F671-P804 HydrophobicContact CG-CG 4.19Å; F671-P804 HydrophobicContact CZ-CG 4.3Å; Y769-P804 HydrophobicContact CE1-CG 3.9Å; Y769-P804 WeakPolarHBondContact OH-CD 3.39Å; L790-P804 HydrophobicContact CB-CB 3.79Å; L790-P804 HydrophobicContact CD1-CB 4.31Å; P804-P806 VanDerWaalsContact C-CD 3.42Å; P804-P806 VanDerWaalsContact C-N 3.33Å; P804-V807 HydrophobicContact CB-CG2 4.35Å; P804-V807 WeakPolarHBondContact O-CB 3.27Å; P804-V807 PolarHBondContact O-N 3.42Å; P804-Y808 PolarHBondContact O-N 2.97Å
805	A	94.7	Very high	93.1	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-52.2	-40.9	-175.8	0	0	0	0	0	114.3	L790 I793 Y794 I803 V807 Y808 F809	L790-A805 VanDerWaalsContact O-CB 3.3Å; L790-A805 WeakPolarHBondContact O-CB 3.44Å; L790-A805 PolarHBondContact O-N 3.26Å; I793-A805 HydrophobicContact CG1-CB 3.92Å; Y794-A805 HydrophobicContact CD2-CB 4.48Å; I803-A805 PolarHBondContact O-N 3.07Å; A805-V807 VanDerWaalsContact C-N 3.28Å; A805-V807 PolarHBondContact O-N 3.36Å; A805-Y808 WeakPolarHBondContact O-CB 3.33Å; A805-Y808 PolarHBondContact O-N 3.24Å; A805-Y808 VanDerWaalsContact O-N 3.11Å; A805-F809 HydrophobicContact CB-CD2 4.27Å; A805-F809 HydrophobicContact CB-CE2 3.84Å; A805-F809 HydrophobicContact CB-CZ 4.49Å; A805-F809 WeakPolarHBondContact O-CD2 3.49Å; A805-F809 WeakPolarHBondContact O-CG 3.44Å; A805-F809 PolarHBondContact O-N 3.18Å
806	P	93	Very high	93.3	Very high	7 Å²	7	23.9 Å²	23.9	5%	0.045	11%	0.108	C	C	.	.	H	α-helix	trans	-56.3	-39.7	176.6	-27.9	37.5	0	0	0	113.4	V615 P804 F809 A810	V615-P806 HydrophobicContact CG1-CG 3.92Å; P804-P806 VanDerWaalsContact C-CD 3.42Å; P804-P806 VanDerWaalsContact C-N 3.33Å; P806-F809 PolarHBondContact O-N 2.89Å; P806-A810 PolarHBondContact O-N 3.34Å
807	V	93.2	Very high	93.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.2	-44	177.5	-172.9	0	0	0	0	110.3	F671 D673 I803 P804 A805 F809 A810 H811	F671-V807 HydrophobicContact CB-CG2 3.26Å; F671-V807 HydrophobicContact CG-CG2 4.27Å; D673-V807 HydrophobicContact CB-CG1 3.52Å; I803-V807 HydrophobicContact CD1-CB 4.11Å; I803-V807 HydrophobicContact CD1-CG1 3.77Å; P804-V807 HydrophobicContact CB-CG2 4.35Å; P804-V807 WeakPolarHBondContact O-CB 3.27Å; P804-V807 PolarHBondContact O-N 3.42Å; A805-V807 VanDerWaalsContact C-N 3.28Å; A805-V807 PolarHBondContact O-N 3.36Å; V807-F809 VanDerWaalsContact C-N 3.29Å; V807-F809 PolarHBondContact O-N 3.36Å; V807-A810 WeakPolarHBondContact O-CB 3.4Å; V807-A810 PolarHBondContact O-N 2.98Å; V807-H811 PolarHBondContact O-N 2.65Å
808	Y	92.3	Very high	92.9	Very high	61 Å²	61	21 Å²	21	24%	0.239	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-37.9	176.6	-115	-53.1	0	0	0	112.3	Y794 V801 S802 I803 P804 A805 H811 L812	Y794-Y808 HydrophobicContact CD2-CG 4.36Å; Y794-Y808 HydrophobicContact CE2-CD1 4.28Å; Y794-Y808 AromaticContact CE2-CG 3.97Å; Y794-Y808 HydrophobicContact CE2-CG 3.97Å; V801-Y808 HydrophobicContact CB-CD2 3.87Å; V801-Y808 HydrophobicContact CB-CE2 3.66Å; V801-Y808 HydrophobicContact CG1-CE2 4.34Å; V801-Y808 HydrophobicContact CG2-CD2 3.72Å; V801-Y808 HydrophobicContact CG2-CE2 4.03Å; S802-Y808 PolarHBondContact OG-OH 3.15Å; I803-Y808 HydrophobicContact CD1-CD2 3.9Å; I803-Y808 HydrophobicContact CD1-CE2 4.06Å; I803-Y808 HydrophobicContact CD1-CG 4.15Å; I803-Y808 HydrophobicContact CG1-CD2 3.22Å; I803-Y808 HydrophobicContact CG1-CE2 3.38Å; I803-Y808 HydrophobicContact CG1-CG 3.93Å; P804-Y808 PolarHBondContact O-N 2.97Å; A805-Y808 WeakPolarHBondContact O-CB 3.33Å; A805-Y808 PolarHBondContact O-N 3.24Å; A805-Y808 VanDerWaalsContact O-N 3.11Å; Y808-H811 WeakPolarHBondContact O-CB 3.41Å; Y808-H811 PolarHBondContact O-N 2.66Å; Y808-L812 WeakPolarHBondContact O-CG 3.31Å; Y808-L812 PolarHBondContact O-N 2.84Å
809	F	93.4	Very high	92.7	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-69.8	-39.2	175	-68.6	-44.2	0	0	0	112.3	V637 V645 Y794 A805 P806 V807 H811 L812 A813 F862 V863	V637-F809 HydrophobicContact CB-CB 4.31Å; V637-F809 HydrophobicContact CG1-CB 3.81Å; V637-F809 HydrophobicContact CG2-CB 4.21Å; V645-F809 HydrophobicContact CG1-CD2 4.22Å; V645-F809 HydrophobicContact CG2-CD2 4.19Å; V645-F809 HydrophobicContact CG2-CE2 4.07Å; Y794-F809 HydrophobicContact CD2-CD1 4.28Å; Y794-F809 AromaticContact CD2-CE1 3.77Å; Y794-F809 HydrophobicContact CD2-CE1 3.77Å; Y794-F809 HydrophobicContact CD2-CZ 4.01Å; Y794-F809 HydrophobicContact CE2-CD1 4.09Å; Y794-F809 AromaticContact CE2-CE1 3.86Å; Y794-F809 HydrophobicContact CE2-CE1 3.86Å; Y794-F809 WeakPolarHBondContact O-CE1 3.37Å; Y794-F809 WeakPolarHBondContact O-CZ 3.49Å; A805-F809 HydrophobicContact CB-CD2 4.27Å; A805-F809 HydrophobicContact CB-CE2 3.84Å; A805-F809 HydrophobicContact CB-CZ 4.49Å; A805-F809 WeakPolarHBondContact O-CD2 3.49Å; A805-F809 WeakPolarHBondContact O-CG 3.44Å; A805-F809 PolarHBondContact O-N 3.18Å; P806-F809 PolarHBondContact O-N 2.89Å; V807-F809 VanDerWaalsContact C-N 3.29Å; V807-F809 PolarHBondContact O-N 3.36Å; F809-H811 VanDerWaalsContact C-N 3.29Å; F809-H811 PolarHBondContact O-N 3Å; F809-L812 HydrophobicContact CD1-CD1 4.31Å; F809-L812 PolarHBondContact O-N 2.59Å; F809-A813 WeakPolarHBondContact O-CB 3.38Å; F809-A813 PolarHBondContact O-N 2.9Å; F809-F862 HydrophobicContact CB-CE2 3.82Å; F809-F862 HydrophobicContact CB-CZ 4.42Å; F809-F862 HydrophobicContact CD1-CE2 4.08Å; F809-F862 HydrophobicContact CG-CE2 4.22Å; F809-V863 HydrophobicContact CD1-CG2 4.15Å; F809-V863 HydrophobicContact CE1-CG2 4.03Å
810	A	91.8	Very high	92.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.8	-43.8	172.2	0	0	0	0	0	111	G617 D619 V637 P806 V807 L812 A813 C814	G617-A810 WeakPolarHBondContact O-CB 3.41Å; D619-A810 HydrophobicContact CB-CB 3.95Å; V637-A810 HydrophobicContact CB-CB 4.3Å; V637-A810 HydrophobicContact CG2-CB 4.12Å; P806-A810 PolarHBondContact O-N 3.34Å; V807-A810 WeakPolarHBondContact O-CB 3.4Å; V807-A810 PolarHBondContact O-N 2.98Å; A810-L812 PolarHBondContact O-N 3.29Å; A810-A813 WeakPolarHBondContact O-CB 3.34Å; A810-A813 PolarHBondContact O-N 3.41Å; A810-A813 VanDerWaalsContact O-N 3.13Å; A810-C814 PolarHBondContact O-N 2.92Å; A810-C814 PolarHBondContact O-SG 2.76Å; A810-C814 VanDerWaalsContact O-SG 3.37Å
811	H	91.7	Very high	92	Very high	53 Å²	53	17.6 Å²	17.6	25%	0.245	8%	0.079	C	C	.	.	H	α-helix	trans	-57.9	-46.1	173.9	-171.2	96.4	0	0	0	112.5	D619 V807 Y808 F809 A813 C814 Y815	D619-H811 HydrophobicContact CB-CB 4.16Å; D619-H811 IonicContact OD1-CG 3.77Å; D619-H811 IonicContact OD1-ND1 3.11Å; D619-H811 PolarHBondContact OD1-ND1 3.23Å; D619-H811 IonicContact OD2-ND1 3.95Å; V807-H811 PolarHBondContact O-N 2.65Å; Y808-H811 WeakPolarHBondContact O-CB 3.41Å; Y808-H811 PolarHBondContact O-N 2.66Å; F809-H811 VanDerWaalsContact C-N 3.29Å; F809-H811 PolarHBondContact O-N 3Å; H811-A813 VanDerWaalsContact C-N 3.32Å; H811-A813 PolarHBondContact O-N 2.82Å; H811-C814 PolarHBondContact O-N 3.16Å; H811-Y815 WeakPolarHBondContact O-CB 3.23Å; H811-Y815 PolarHBondContact O-N 2.85Å
812	L	92.8	Very high	91.4	Very high	29 Å²	29	18 Å²	18	15%	0.152	8%	0.079	C	C	.	.	H	α-helix	trans	-62.9	-37.7	175.7	-68.6	-179.9	0	0	0	112.3	Y794 Y808 F809 A810 Y815 R816 F862	Y794-L812 HydrophobicContact CE2-CD1 4.3Å; Y808-L812 WeakPolarHBondContact O-CG 3.31Å; Y808-L812 PolarHBondContact O-N 2.84Å; F809-L812 HydrophobicContact CD1-CD1 4.31Å; F809-L812 PolarHBondContact O-N 2.59Å; A810-L812 PolarHBondContact O-N 3.29Å; L812-Y815 PolarHBondContact O-N 3.31Å; L812-R816 VanDerWaalsContact O-CB 3.26Å; L812-R816 WeakPolarHBondContact O-CB 3.38Å; L812-R816 PolarHBondContact O-N 3Å; L812-F862 HydrophobicContact CB-CD2 3.96Å
813	A	91	Very high	90.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.2	-40.4	177	0	0	0	0	0	112.3	A635 V637 F809 A810 H811 S817 F862	A635-A813 HydrophobicContact CB-CB 3.73Å; V637-A813 HydrophobicContact CG2-CB 4.46Å; F809-A813 WeakPolarHBondContact O-CB 3.38Å; F809-A813 PolarHBondContact O-N 2.9Å; A810-A813 WeakPolarHBondContact O-CB 3.34Å; A810-A813 PolarHBondContact O-N 3.41Å; A810-A813 VanDerWaalsContact O-N 3.13Å; H811-A813 VanDerWaalsContact C-N 3.32Å; H811-A813 PolarHBondContact O-N 2.82Å; A813-S817 WeakPolarHBondContact O-CB 3.17Å; A813-S817 PolarHBondContact O-N 3.4Å; A813-S817 PolarHBondContact O-OG 3.28Å; A813-F862 HydrophobicContact CB-CB 4.44Å; A813-F862 HydrophobicContact CB-CD1 4.16Å; A813-F862 HydrophobicContact CB-CD2 4.39Å; A813-F862 HydrophobicContact CB-CG 4.06Å
814	C	88.9	Confident	89.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.6	-49.9	172.3	-70.9	0	0	0	0	110.7	D619 T621 A635 A810 H811 R816 S817 R818	D619-C814 PolarHBondContact O-SG 3.49Å; D619-C814 PolarHBondContact OD2-SG 3.45Å; T621-C814 VanDerWaalsContact OG1-CB 3.27Å; T621-C814 WeakPolarHBondContact OG1-CB 3.29Å; A635-C814 WeakPolarHBondContact CB-SG 3.28Å; A635-C814 PolarHBondContact N-SG 3.34Å; A810-C814 PolarHBondContact O-N 2.92Å; A810-C814 PolarHBondContact O-SG 2.76Å; A810-C814 VanDerWaalsContact O-SG 3.37Å; H811-C814 PolarHBondContact O-N 3.16Å; C814-R816 PolarHBondContact O-N 3.31Å; C814-S817 WeakPolarHBondContact O-CB 3.37Å; C814-S817 PolarHBondContact O-N 3.32Å; C814-R818 PolarHBondContact O-N 2.9Å; C814-R818 VanDerWaalsContact O-N 3.07Å
815	Y	88.9	Confident	88.3	Confident	109 Å²	109	24.9 Å²	24.9	43%	0.427	11%	0.114	S	C	.	.	H	α-helix	trans	-65.1	-41.3	-178.2	-156.9	-102.5	0	0	0	111.9	H811 L812 S817 R818 H819	H811-Y815 WeakPolarHBondContact O-CB 3.23Å; H811-Y815 PolarHBondContact O-N 2.85Å; L812-Y815 PolarHBondContact O-N 3.31Å; Y815-S817 VanDerWaalsContact C-N 3.33Å; Y815-S817 PolarHBondContact O-N 3.32Å; Y815-R818 WeakPolarHBondContact O-CB 3.39Å; Y815-R818 PolarHBondContact O-N 2.96Å; Y815-H819 AromaticContact CD1-CD2 3.76Å; Y815-H819 AromaticContact CD1-NE2 3.39Å; Y815-H819 WeakPolarHBondContact CD1-NE2 3.17Å; Y815-H819 AromaticContact CE1-CD2 3.92Å; Y815-H819 AromaticContact CE1-CE1 4Å; Y815-H819 AromaticContact CE1-NE2 3.08Å; Y815-H819 WeakPolarHBondContact CE1-NE2 3.32Å; Y815-H819 PolarHBondContact O-CD2 3.12Å; Y815-H819 PolarHBondContact O-N 3.13Å
816	R	92.3	Very high	86.4	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.015	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-40.8	173.7	-176.6	61.5	71.2	88.6	12.8	112.1	Y545 D553 L812 C814 R818 H819 H820 Y861 F862 V863	Y545-R816 PolarHBondContact OH-NE 3.42Å; D553-R816 IonicContact OD1-NH1 3.55Å; D553-R816 WeakPolarHBondContact OD2-CD 3.5Å; D553-R816 IonicContact OD2-CZ 3.7Å; D553-R816 IonicContact OD2-NH1 2.77Å; D553-R816 PolarHBondContact OD2-NH1 3.14Å; L812-R816 VanDerWaalsContact O-CB 3.26Å; L812-R816 WeakPolarHBondContact O-CB 3.38Å; L812-R816 PolarHBondContact O-N 3Å; C814-R816 PolarHBondContact O-N 3.31Å; R816-R818 VanDerWaalsContact C-N 3.29Å; R816-R818 PolarHBondContact O-N 2.71Å; R816-H819 WeakPolarHBondContact O-CB 3.35Å; R816-H819 PolarHBondContact O-N 3.22Å; R816-H819 VanDerWaalsContact O-N 3.13Å; R816-H820 PolarHBondContact O-N 2.98Å; R816-H820 VanDerWaalsContact O-N 3.16Å; R816-Y861 HydrophobicContact CG-CD2 4.19Å; R816-Y861 HydrophobicContact CG-CE2 3.58Å; R816-Y861 PolarHBondContact NH1-O 3.44Å; R816-Y861 PolarHBondContact NH2-O 3.26Å; R816-F862 HydrophobicContact CB-CB 3.93Å; R816-F862 HydrophobicContact CG-CB 4.19Å; R816-F862 PolarHBondContact NH2-O 2.88Å; R816-V863 PolarHBondContact NH2-O 3.36Å
817	S	89.6	Confident	84.2	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-35.6	176.4	-55.2	0	0	0	0	112	R647 A813 C814 Y815 H819 H820 S821	R647-S817 PolarHBondContact NH2-OG 2.94Å; A813-S817 WeakPolarHBondContact O-CB 3.17Å; A813-S817 PolarHBondContact O-N 3.4Å; A813-S817 PolarHBondContact O-OG 3.28Å; C814-S817 WeakPolarHBondContact O-CB 3.37Å; C814-S817 PolarHBondContact O-N 3.32Å; Y815-S817 VanDerWaalsContact C-N 3.33Å; Y815-S817 PolarHBondContact O-N 3.32Å; S817-H819 VanDerWaalsContact C-N 3.32Å; S817-H819 PolarHBondContact O-N 3.5Å; S817-H820 WeakPolarHBondContact O-CB 3.36Å; S817-H820 PolarHBondContact O-N 3.5Å; S817-H820 VanDerWaalsContact O-N 3.09Å; S817-S821 PolarHBondContact O-N 3.15Å
818	R	87.2	Confident	81.5	Confident	31 Å²	31	32.6 Å²	32.6	12%	0.117	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-41.1	172.9	-172.9	70.3	64.3	-165.8	-2.9	111.8	T621 S630 P631 I633 C814 Y815 R816 H820 S821 Y822	T621-R818 PolarHBondContact O-NH2 3.2Å; S630-R818 VanDerWaalsContact CB-NH1 3.32Å; S630-R818 PolarHBondContact OG-NH1 3.06Å; P631-R818 VanDerWaalsContact O-CZ 3.24Å; P631-R818 PolarHBondContact O-NH1 3.36Å; P631-R818 PolarHBondContact O-NH2 3.09Å; I633-R818 HydrophobicContact CD1-CB 4.33Å; C814-R818 PolarHBondContact O-N 2.9Å; C814-R818 VanDerWaalsContact O-N 3.07Å; Y815-R818 WeakPolarHBondContact O-CB 3.39Å; Y815-R818 PolarHBondContact O-N 2.96Å; R816-R818 VanDerWaalsContact C-N 3.29Å; R816-R818 PolarHBondContact O-N 2.71Å; R818-H820 VanDerWaalsContact C-N 3.26Å; R818-H820 PolarHBondContact O-N 2.9Å; R818-S821 PolarHBondContact O-N 3.4Å; R818-S821 PolarHBondContact O-OG 3.4Å; R818-Y822 PolarHBondContact O-N 3.05Å
819	H	90	Very high	78.8	Confident	29 Å²	29	36.5 Å²	36.5	13%	0.134	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-29.8	174.2	-72.4	-71.6	0	0	0	112.9	Y545 S546 K549 Y815 R816 S817 Y822	Y545-H819 AromaticContact CD1-CE1 3.56Å; Y545-H819 AromaticContact CD1-ND1 3.69Å; Y545-H819 AromaticContact CD1-NE2 3.79Å; Y545-H819 AromaticContact CE1-CD2 3.58Å; Y545-H819 AromaticContact CE1-CE1 3.79Å; Y545-H819 AromaticContact CE1-CG 3.85Å; Y545-H819 AromaticContact CE1-ND1 3.98Å; Y545-H819 AromaticContact CE1-NE2 3.51Å; S546-H819 PolarHBondContact OG-ND1 3.47Å; K549-H819 HydrophobicContact CB-CB 4.49Å; Y815-H819 AromaticContact CD1-CD2 3.76Å; Y815-H819 AromaticContact CD1-NE2 3.39Å; Y815-H819 WeakPolarHBondContact CD1-NE2 3.17Å; Y815-H819 AromaticContact CE1-CD2 3.92Å; Y815-H819 AromaticContact CE1-CE1 4Å; Y815-H819 AromaticContact CE1-NE2 3.08Å; Y815-H819 WeakPolarHBondContact CE1-NE2 3.32Å; Y815-H819 PolarHBondContact O-CD2 3.12Å; Y815-H819 PolarHBondContact O-N 3.13Å; R816-H819 WeakPolarHBondContact O-CB 3.35Å; R816-H819 PolarHBondContact O-N 3.22Å; R816-H819 VanDerWaalsContact O-N 3.13Å; S817-H819 VanDerWaalsContact C-N 3.32Å; S817-H819 PolarHBondContact O-N 3.5Å; H819-Y822 WeakPolarHBondContact O-CD1 3.42Å
820	H	91.1	Very high	75.8	Confident	3 Å²	3	44.3 Å²	44.3	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-71.6	-33.2	177	-58.2	160.1	0	0	0	112.7	R550 D553 V554 R816 S817 R818 A849 V852 Y861	R550-H820 WeakPolarHBondContact CG-O 3.42Å; D553-H820 WeakPolarHBondContact CB-NE2 3.45Å; D553-H820 IonicContact OD2-CD2 2.75Å; D553-H820 IonicContact OD2-CE1 2.85Å; D553-H820 IonicContact OD2-NE2 3.93Å; D553-H820 PolarHBondContact OD2-NE2 2.84Å; V554-H820 HydrophobicContact CG2-CB 4.01Å; R816-H820 PolarHBondContact O-N 2.98Å; R816-H820 VanDerWaalsContact O-N 3.16Å; S817-H820 WeakPolarHBondContact O-CB 3.36Å; S817-H820 PolarHBondContact O-N 3.5Å; S817-H820 VanDerWaalsContact O-N 3.09Å; R818-H820 VanDerWaalsContact C-N 3.26Å; R818-H820 PolarHBondContact O-N 2.9Å; H820-A849 VanDerWaalsContact CB-O 3.25Å; H820-A849 WeakPolarHBondContact CB-O 3.42Å; H820-V852 VanDerWaalsContact CE1-CG1 3.47Å; H820-V852 WeakPolarHBondContact CE1-CG1 3.41Å; H820-Y861 AromaticContact CE1-CE2 3.75Å
821	S	86.2	Confident	72.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.1	-178.4	68.6	0	0	0	0	114.5	S817 R818 L823 L824 T825	S817-S821 PolarHBondContact O-N 3.15Å; R818-S821 PolarHBondContact O-N 3.4Å; R818-S821 PolarHBondContact O-OG 3.4Å; S821-L823 PolarHBondContact O-N 2.68Å; S821-L823 VanDerWaalsContact O-N 3.08Å; S821-L824 WeakPolarHBondContact O-CB 3.46Å; S821-L824 PolarHBondContact O-N 3.43Å; S821-T825 PolarHBondContact O-N 3.21Å; S821-T825 PolarHBondContact O-OG1 3.15Å
822	Y	83.8	Confident	69.5	Low	24 Å²	24	55.6 Å²	55.6	9%	0.094	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.7	-165.1	86.5	-81	0	0	0	114.8	E547 R550 R818 H819 T825 S827	E547-Y822 HydrophobicContact CB-CE1 4.47Å; E547-Y822 WeakPolarHBondContact OE2-CE1 2.81Å; E547-Y822 PolarHBondContact OE2-OH 2.89Å; R550-Y822 HydrophobicContact CB-CD1 4.49Å; R550-Y822 HydrophobicContact CB-CE1 4.18Å; R818-Y822 PolarHBondContact O-N 3.05Å; H819-Y822 WeakPolarHBondContact O-CD1 3.42Å; Y822-T825 PolarHBondContact O-OG1 3.18Å; Y822-S827 PolarHBondContact O-N 3.35Å
823	L	80.2	Confident	66.3	Low	91 Å²	91	57.7 Å²	57.7	48%	0.476	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-30.3	174.2	-68.4	177.7	0	0	0	113.1	S821	S821-L823 PolarHBondContact O-N 2.68Å; S821-L823 VanDerWaalsContact O-N 3.08Å
824	L	76.2	Confident	63.3	Low	69 Å²	69	63.6 Å²	63.6	36%	0.361	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-21.9	179.4	-60.7	178	0	0	0	112.2	S821 E845 F846 A849	S821-L824 WeakPolarHBondContact O-CB 3.46Å; S821-L824 PolarHBondContact O-N 3.43Å; L824-E845 HydrophobicContact CD1-CB 4.3Å; L824-F846 HydrophobicContact CB-CD1 4.29Å; L824-F846 HydrophobicContact CB-CE1 3.65Å; L824-F846 HydrophobicContact CB-CZ 3.76Å; L824-F846 HydrophobicContact CD1-CD1 3.88Å; L824-F846 HydrophobicContact CD1-CE1 4.1Å; L824-F846 HydrophobicContact CD1-CG 4.19Å; L824-A849 HydrophobicContact CD1-CB 3.62Å
825	T	66.5	Low	60.7	Low	6 Å²	6	75.3 Å²	75.3	4%	0.037	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	9.7	-173.9	57.2	0	0	0	0	113.9	S630 S821 Y822 S827 F846	S630-T825 WeakPolarHBondContact OG-CB 2.89Å; S630-T825 WeakPolarHBondContact OG-CG2 3.48Å; S821-T825 PolarHBondContact O-N 3.21Å; S821-T825 PolarHBondContact O-OG1 3.15Å; Y822-T825 PolarHBondContact O-OG1 3.18Å; T825-S827 PolarHBondContact O-N 3Å; T825-S827 PolarHBondContact OG1-OG 2.84Å; T825-F846 HydrophobicContact CG2-CE1 3.5Å; T825-F846 VanDerWaalsContact CG2-CE1 3.5Å; T825-F846 HydrophobicContact CG2-CZ 3.81Å
826	G	53.9	Low	57.9	Low	40 Å²	40	73.8 Å²	73.8	41%	0.412	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	26.1	178.8	0	0	0	0	0	114.3	S828	G826-S828 CarbonylContact C-O 3.53Å; G826-S828 PolarHBondContact O-N 3.4Å
827	S	47.8	Very low	55.1	Low	75 Å²	75	83.3 Å²	83.3	52%	0.524	48%	0.478	S	S	.	.			trans	-72.3	-4.5	174.4	-61	0	0	0	0	113.2	Y822 T825	Y822-S827 PolarHBondContact O-N 3.35Å; T825-S827 PolarHBondContact O-N 3Å; T825-S827 PolarHBondContact OG1-OG 2.84Å
828	S	35.9	Very low	52.7	Low	55 Å²	55	89.9 Å²	89.9	39%	0.385	51%	0.507	S	S	.	.	S	Bend	trans	-97.7	125.5	161.2	-53.3	0	0	0	0	107.3	G826 E830	G826-S828 CarbonylContact C-O 3.53Å; G826-S828 PolarHBondContact O-N 3.4Å; S828-E830 PolarHBondContact O-N 2.91Å
829	D	36.5	Very low	50.8	Low	142 Å²	142	96.2 Å²	96.2	76%	0.759	54%	0.537	S	S	*	.	S	Bend	trans	-58.3	16.3	-173.4	-80.7	-34.7	0	0	0	116.4
830	E	30.6	Very low	48.7	Very low	171 Å²	171	103 Å²	103	80%	0.799	57%	0.569	S	S	*	*			trans	-136.2	84.2	-175.9	-61.5	-161	169.8	0	0	111.8	S828	S828-E830 PolarHBondContact O-N 2.91Å
831	S	26.4	Very low	46.7	Very low	100 Å²	100	108.8 Å²	108.8	70%	0.699	60%	0.596	S	S	*	*			trans	-178.2	112	143.6	39.3	0	0	0	0	111.2
832	L	24	Very low	45.7	Very low	189 Å²	189	110.3 Å²	110.3	99%	0.99	61%	0.607	S	S	*	*			trans	-101.5	109.9	162.7	-83.4	156	0	0	0	106.7
833	G	26.1	Very low	45	Very low	74 Å²	74	116.4 Å²	116.4	76%	0.763	63%	0.634	S	S	*	*			trans	-153.2	111.5	-179.7	0	0	0	0	0	114.5
834	S	28.1	Very low	44.8	Very low	124 Å²	124	117 Å²	117	87%	0.867	64%	0.641	S	S	*	*			trans	42.1	115.8	152	-170.2	0	0	0	0	121.1
835	R	32.5	Very low	44.9	Very low	246 Å²	246	118.1 Å²	118.1	93%	0.928	65%	0.645	S	S	*	*			trans	-90.6	135	175.2	-106.2	169.3	166.1	-175.1	-8.3	110.5
836	G	31.2	Very low	45.5	Very low	77 Å²	77	119.4 Å²	119.4	79%	0.794	65%	0.65	S	S	*	*	S	Bend	trans	155.2	-27.9	153.5	0	0	0	0	0	119.5
837	K	32.8	Very low	46.8	Very low	203 Å²	203	121.6 Å²	121.6	88%	0.883	66%	0.655	S	S	*	*	S	Bend	trans	-133.2	8.4	-174.3	-75.1	-172.3	176.6	-179.4	0	116.3
838	K	40	Very low	48.5	Very low	139 Å²	139	127.9 Å²	127.9	60%	0.604	67%	0.667	S	S	*	*			trans	-98.5	-3.2	-166.8	-82.1	-170.3	176.4	-174.1	0	117.3	Q840 Q841 S842	K838-Q840 PolarHBondContact O-N 2.91Å; K838-Q841 PolarHBondContact O-N 3.23Å; K838-S842 WeakPolarHBondContact O-CB 3.45Å; K838-S842 PolarHBondContact O-N 2.74Å
839	E	47.8	Very low	50.8	Low	163 Å²	163	126.1 Å²	126.1	76%	0.762	66%	0.656	S	S	*	*	H	α-helix	trans	-56.7	-45.1	-170.4	-92.4	-170.8	167	0	0	114.2	S842 K843	E839-S842 PolarHBondContact O-N 3.28Å; E839-S842 PolarHBondContact O-OG 3.19Å; E839-K843 PolarHBondContact O-N 3.01Å
840	Q	45.6	Very low	53.1	Low	171 Å²	171	120.9 Å²	120.9	80%	0.799	63%	0.629	S	S	*	*	H	α-helix	trans	-76	-41.7	-177.1	-133	160.8	17	0	0	112.7	K838 S842 K843 V844	K838-Q840 PolarHBondContact O-N 2.91Å; Q840-S842 VanDerWaalsContact C-N 3.27Å; Q840-S842 PolarHBondContact O-N 3.04Å; Q840-K843 PolarHBondContact O-N 2.7Å; Q840-V844 PolarHBondContact O-N 2.89Å
841	Q	48.4	Very low	55.9	Low	126 Å²	126	115.2 Å²	115.2	59%	0.589	61%	0.606	S	S	*	*	H	α-helix	trans	-59.5	-38.7	169.7	-84.5	176.1	-10	0	0	111.2	K838 K843 V844 E845	K838-Q841 PolarHBondContact O-N 3.23Å; Q841-K843 PolarHBondContact O-N 3.22Å; Q841-V844 PolarHBondContact O-N 3.1Å; Q841-E845 WeakPolarHBondContact O-CG 3.37Å; Q841-E845 PolarHBondContact O-N 3.09Å
842	S	66.2	Low	58.9	Low	32 Å²	32	110.6 Å²	110.6	22%	0.224	57%	0.574	C	S	.	*	H	α-helix	trans	-63.6	-41.6	179.6	85	0	0	0	0	111.9	K838 E839 Q840 V844 E845 F846	K838-S842 WeakPolarHBondContact O-CB 3.45Å; K838-S842 PolarHBondContact O-N 2.74Å; E839-S842 PolarHBondContact O-N 3.28Å; E839-S842 PolarHBondContact O-OG 3.19Å; Q840-S842 VanDerWaalsContact C-N 3.27Å; Q840-S842 PolarHBondContact O-N 3.04Å; S842-V844 VanDerWaalsContact C-N 3.32Å; S842-V844 PolarHBondContact O-N 3.15Å; S842-E845 PolarHBondContact O-N 3.05Å; S842-F846 VanDerWaalsContact O-CB 3.31Å; S842-F846 WeakPolarHBondContact O-CB 2.87Å; S842-F846 WeakPolarHBondContact O-CD2 3.45Å; S842-F846 PolarHBondContact O-N 2.79Å
843	K	68.2	Low	62.2	Low	151 Å²	151	104.6 Å²	104.6	66%	0.657	54%	0.541	S	S	*	.	H	α-helix	trans	-62.8	-39.4	179.8	-78.4	-178.3	-178.7	171.8	0	112	E839 Q840 Q841 T847	E839-K843 PolarHBondContact O-N 3.01Å; Q840-K843 PolarHBondContact O-N 2.7Å; Q841-K843 PolarHBondContact O-N 3.22Å; K843-T847 VanDerWaalsContact O-CB 3.32Å; K843-T847 WeakPolarHBondContact O-CB 3.45Å; K843-T847 PolarHBondContact O-N 3.43Å; K843-T847 PolarHBondContact O-OG1 2.99Å
844	V	75.8	Confident	65.2	Low	103 Å²	103	106.1 Å²	106.1	62%	0.624	53%	0.532	S	S	*	.	H	α-helix	trans	-68.6	-46.3	177.5	179.4	0	0	0	0	110.4	Q840 Q841 S842 T847 R848	Q840-V844 PolarHBondContact O-N 2.89Å; Q841-V844 PolarHBondContact O-N 3.1Å; S842-V844 VanDerWaalsContact C-N 3.32Å; S842-V844 PolarHBondContact O-N 3.15Å; V844-T847 PolarHBondContact O-N 3.39Å; V844-R848 WeakPolarHBondContact O-CB 3.48Å; V844-R848 PolarHBondContact O-N 3.37Å
845	E	78.5	Confident	68.1	Low	94 Å²	94	104 Å²	104	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-59.7	-46.2	175.9	-74.4	178.5	175.1	0	0	112.1	L824 Q841 S842 T847 R848 A849	L824-E845 HydrophobicContact CD1-CB 4.3Å; Q841-E845 WeakPolarHBondContact O-CG 3.37Å; Q841-E845 PolarHBondContact O-N 3.09Å; S842-E845 PolarHBondContact O-N 3.05Å; E845-T847 PolarHBondContact O-N 2.87Å; E845-R848 PolarHBondContact O-N 2.92Å; E845-A849 WeakPolarHBondContact O-CB 3.29Å; E845-A849 PolarHBondContact O-N 3.27Å
846	F	79.4	Confident	70.8	Confident	33 Å²	33	92.5 Å²	92.5	15%	0.145	47%	0.467	C	S	.	.	H	α-helix	trans	-60.4	-45.6	175.2	-88.8	-66.6	0	0	0	111.7	P631 L824 T825 S842 R848 A849 V850	P631-F846 HydrophobicContact CG-CD1 4.04Å; P631-F846 HydrophobicContact CG-CD2 4.42Å; P631-F846 HydrophobicContact CG-CE1 4.07Å; P631-F846 HydrophobicContact CG-CE2 4.47Å; P631-F846 HydrophobicContact CG-CG 4.24Å; P631-F846 HydrophobicContact CG-CZ 4.31Å; L824-F846 HydrophobicContact CB-CD1 4.29Å; L824-F846 HydrophobicContact CB-CE1 3.65Å; L824-F846 HydrophobicContact CB-CZ 3.76Å; L824-F846 HydrophobicContact CD1-CD1 3.88Å; L824-F846 HydrophobicContact CD1-CE1 4.1Å; L824-F846 HydrophobicContact CD1-CG 4.19Å; T825-F846 HydrophobicContact CG2-CE1 3.5Å; T825-F846 VanDerWaalsContact CG2-CE1 3.5Å; T825-F846 HydrophobicContact CG2-CZ 3.81Å; S842-F846 VanDerWaalsContact O-CB 3.31Å; S842-F846 WeakPolarHBondContact O-CB 2.87Å; S842-F846 WeakPolarHBondContact O-CD2 3.45Å; S842-F846 PolarHBondContact O-N 2.79Å; F846-R848 VanDerWaalsContact C-N 3.33Å; F846-R848 PolarHBondContact O-N 3.11Å; F846-A849 PolarHBondContact O-N 2.95Å; F846-V850 WeakPolarHBondContact O-CG2 3.21Å; F846-V850 PolarHBondContact O-N 3.34Å
847	T	81.1	Confident	73.3	Confident	85 Å²	85	93.1 Å²	93.1	52%	0.521	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-43.6	178.3	-58.8	0	0	0	0	110.9	K843 V844 E845 T851	K843-T847 VanDerWaalsContact O-CB 3.32Å; K843-T847 WeakPolarHBondContact O-CB 3.45Å; K843-T847 PolarHBondContact O-N 3.43Å; K843-T847 PolarHBondContact O-OG1 2.99Å; V844-T847 PolarHBondContact O-N 3.39Å; E845-T847 PolarHBondContact O-N 2.87Å; T847-T851 WeakPolarHBondContact O-CB 3.35Å; T847-T851 PolarHBondContact O-N 2.9Å; T847-T851 VanDerWaalsContact O-N 3.15Å; T847-T851 PolarHBondContact O-OG1 3.17Å
848	R	83.8	Confident	75.4	Confident	207 Å²	207	87.4 Å²	87.4	78%	0.781	43%	0.431	S	S	*	.	H	α-helix	trans	-63.2	-43.7	175.9	-172.1	178.8	-179.7	-180	1	111.2	V844 E845 F846 V850 T851	V844-R848 WeakPolarHBondContact O-CB 3.48Å; V844-R848 PolarHBondContact O-N 3.37Å; E845-R848 PolarHBondContact O-N 2.92Å; F846-R848 VanDerWaalsContact C-N 3.33Å; F846-R848 PolarHBondContact O-N 3.11Å; R848-V850 PolarHBondContact O-N 3.19Å; R848-T851 PolarHBondContact O-N 3.24Å
849	A	84.6	Confident	77.5	Confident	19 Å²	19	82.5 Å²	82.5	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-63.3	-37.5	-179.2	0	0	0	0	0	113	V554 H820 L824 E845 F846	V554-A849 WeakPolarHBondContact CG2-O 3.3Å; H820-A849 VanDerWaalsContact CB-O 3.25Å; H820-A849 WeakPolarHBondContact CB-O 3.42Å; L824-A849 HydrophobicContact CD1-CB 3.62Å; E845-A849 WeakPolarHBondContact O-CB 3.29Å; E845-A849 PolarHBondContact O-N 3.27Å; F846-A849 PolarHBondContact O-N 2.95Å
850	V	85.2	Confident	79.4	Confident	31 Å²	31	75.6 Å²	75.6	19%	0.188	38%	0.381	C	S	.	.	H	α-helix	trans	-89.9	-2.4	179.1	-54.9	0	0	0	0	113.9	F846 R848 V852	F846-V850 WeakPolarHBondContact O-CG2 3.21Å; F846-V850 PolarHBondContact O-N 3.34Å; R848-V850 PolarHBondContact O-N 3.19Å; V850-V852 PolarHBondContact O-N 2.58Å
851	T	88.1	Confident	81.5	Confident	52 Å²	52	67.5 Å²	67.5	32%	0.319	34%	0.343	S	S	.	.			trans	-83.8	107.2	177.1	-67.3	0	0	0	0	109.5	T847 R848	T847-T851 WeakPolarHBondContact O-CB 3.35Å; T847-T851 PolarHBondContact O-N 2.9Å; T847-T851 VanDerWaalsContact O-N 3.15Å; T847-T851 PolarHBondContact O-OG1 3.17Å; R848-T851 PolarHBondContact O-N 3.24Å
852	V	90.3	Very high	83.5	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.024	32%	0.316	C	S	.	.			trans	-68.2	151.4	175.2	-64.5	0	0	0	0	112.3	D553 H820 V850 I856 R857 Y861	D553-V852 HydrophobicContact CB-CG1 4.18Å; H820-V852 VanDerWaalsContact CE1-CG1 3.47Å; H820-V852 WeakPolarHBondContact CE1-CG1 3.41Å; V850-V852 PolarHBondContact O-N 2.58Å; V852-I856 HydrophobicContact CB-CD1 4.43Å; V852-I856 HydrophobicContact CB-CG1 4.4Å; V852-R857 HydrophobicContact CG2-CB 4.11Å; V852-R857 HydrophobicContact CG2-CG 4.04Å; V852-Y861 HydrophobicContact CG1-CD2 4.24Å; V852-Y861 HydrophobicContact CG1-CE1 4.01Å; V852-Y861 HydrophobicContact CG1-CE2 3.58Å; V852-Y861 VanDerWaalsContact CG1-CZ 3.47Å; V852-Y861 HydrophobicContact CG2-CE1 3.99Å
853	H	93.3	Very high	84.5	Confident	63 Å²	63	60.4 Å²	60.4	29%	0.292	31%	0.307	S	S	.	.			trans	-59.7	142.8	176	-169.3	-54.2	0	0	0	111.2	D553 K555 G557 N855 I856 R857	D553-H853 WeakPolarHBondContact O-CB 3.13Å; D553-H853 PolarHBondContact O-N 3.44Å; K555-H853 PolarHBondContact O-CD2 3.47Å; G557-H853 VanDerWaalsContact CA-CB 3.46Å; H853-N855 VanDerWaalsContact C-N 3.28Å; H853-N855 VanDerWaalsContact CE1-CG 3.43Å; H853-N855 PolarHBondContact CE1-ND2 3.5Å; H853-N855 VanDerWaalsContact CE1-ND2 3.26Å; H853-N855 PolarHBondContact ND1-N 3Å; H853-N855 PolarHBondContact O-N 3.38Å; H853-I856 WeakPolarHBondContact O-CG1 3.28Å; H853-I856 PolarHBondContact O-N 3.21Å; H853-I856 VanDerWaalsContact O-N 3.15Å; H853-R857 PolarHBondContact O-N 3.26Å
854	D	88.3	Confident	85.3	Confident	106 Å²	106	55.9 Å²	55.9	57%	0.567	29%	0.289	S	S	*	.	H	α-helix	trans	-56.3	-37.3	-174.8	-70.1	-41.5	0	0	0	114	I856 R857	D854-I856 PolarHBondContact O-N 2.93Å; D854-R857 WeakPolarHBondContact O-CB 3.36Å; D854-R857 PolarHBondContact O-N 3.04Å; D854-R857 VanDerWaalsContact O-N 3.1Å; D854-R857 WeakPolarHBondContact OD1-CD 3.31Å; D854-R857 IonicContact OD1-CZ 2.7Å; D854-R857 IonicContact OD1-NE 2.79Å; D854-R857 IonicContact OD1-NH1 3.85Å; D854-R857 PolarHBondContact OD1-NH1 3.13Å
855	N	89.7	Confident	85.8	Confident	78 Å²	78	53.4 Å²	53.4	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-48.9	-29.9	175.3	-71.2	-10.6	0	0	0	116.1	G557 H853	G557-N855 WeakPolarHBondContact O-CB 3.48Å; H853-N855 VanDerWaalsContact C-N 3.28Å; H853-N855 VanDerWaalsContact CE1-CG 3.43Å; H853-N855 PolarHBondContact CE1-ND2 3.5Å; H853-N855 VanDerWaalsContact CE1-ND2 3.26Å; H853-N855 PolarHBondContact ND1-N 3Å; H853-N855 PolarHBondContact O-N 3.38Å
856	I	88.3	Confident	86.2	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-119.8	0.9	-179.8	61.3	166.3	0	0	0	112.8	D553 G557 M559 V852 H853 D854 S858 T859 Y861	D553-I856 HydrophobicContact CB-CD1 3.72Å; G557-I856 WeakPolarHBondContact O-CG2 3.26Å; M559-I856 HydrophobicContact CE-CB 4.48Å; M559-I856 HydrophobicContact CE-CG2 4.25Å; V852-I856 HydrophobicContact CB-CD1 4.43Å; V852-I856 HydrophobicContact CB-CG1 4.4Å; H853-I856 WeakPolarHBondContact O-CG1 3.28Å; H853-I856 PolarHBondContact O-N 3.21Å; H853-I856 VanDerWaalsContact O-N 3.15Å; D854-I856 PolarHBondContact O-N 2.93Å; I856-S858 VanDerWaalsContact C-N 3.28Å; I856-S858 PolarHBondContact O-N 3.28Å; I856-T859 WeakPolarHBondContact O-CB 3.42Å; I856-T859 PolarHBondContact O-N 2.92Å; I856-T859 PolarHBondContact O-OG1 3.06Å; I856-Y861 HydrophobicContact CD1-CD2 4.23Å; I856-Y861 HydrophobicContact CD1-CG 3.95Å
857	R	83.3	Confident	86.6	Confident	89 Å²	89	52.2 Å²	52.2	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-62.7	-32.5	-170.2	-169.4	178.6	-139.3	167.8	3.9	113.7	V852 H853 D854 T859	V852-R857 HydrophobicContact CG2-CB 4.11Å; V852-R857 HydrophobicContact CG2-CG 4.04Å; H853-R857 PolarHBondContact O-N 3.26Å; D854-R857 WeakPolarHBondContact O-CB 3.36Å; D854-R857 PolarHBondContact O-N 3.04Å; D854-R857 VanDerWaalsContact O-N 3.1Å; D854-R857 WeakPolarHBondContact OD1-CD 3.31Å; D854-R857 IonicContact OD1-CZ 2.7Å; D854-R857 IonicContact OD1-NE 2.79Å; D854-R857 IonicContact OD1-NH1 3.85Å; D854-R857 PolarHBondContact OD1-NH1 3.13Å; R857-T859 VanDerWaalsContact C-N 3.34Å
858	S	77.4	Confident	87	Confident	83 Å²	83	50.2 Å²	50.2	58%	0.58	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	4.1	176.4	55.1	0	0	0	0	113.9	I856	I856-S858 VanDerWaalsContact C-N 3.28Å; I856-S858 PolarHBondContact O-N 3.28Å
859	T	84	Confident	87.2	Confident	36 Å²	36	39.7 Å²	39.7	22%	0.221	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	164.6	-176.6	73.3	0	0	0	0	111.9	M559 I856 R857 Y861	M559-T859 WeakPolarHBondContact CE-OG1 3.34Å; I856-T859 WeakPolarHBondContact O-CB 3.42Å; I856-T859 PolarHBondContact O-N 2.92Å; I856-T859 PolarHBondContact O-OG1 3.06Å; R857-T859 VanDerWaalsContact C-N 3.34Å; T859-Y861 WeakPolarHBondContact O-CD1 3.42Å; T859-Y861 PolarHBondContact O-N 3.37Å
860	M	87.1	Confident	87.4	Confident	19 Å²	19	41.2 Å²	41.2	9%	0.094	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	47	172.3	-70.9	-165.3	-80.1	0	0	112.7	M589 V645 F862 V863	M589-M860 HydrophobicContact CB-CE 3.58Å; M589-M860 HydrophobicContact CG-CE 3.72Å; M589-M860 HydrophobicContact SD-CE 4.25Å; V645-M860 HydrophobicContact CB-CG 4.34Å; V645-M860 HydrophobicContact CB-SD 3.92Å; V645-M860 HydrophobicContact CG2-SD 4.38Å; M860-F862 HydrophobicContact CB-CZ 4.47Å; M860-F862 HydrophobicContact CG-CZ 4.29Å; M860-F862 PolarHBondContact O-N 3.11Å; M860-V863 HydrophobicContact CB-CB 4.45Å; M860-V863 HydrophobicContact CB-CG2 3.8Å; M860-V863 HydrophobicContact CG-CG2 4.5Å; M860-V863 WeakPolarHBondContact O-CB 3.4Å; M860-V863 PolarHBondContact O-N 3.32Å; M860-V863 VanDerWaalsContact O-N 3.08Å; M860-V863 HydrophobicContact SD-CG2 4.26Å
861	Y	89.9	Confident	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.3	-175.1	73.9	-86.7	0	0	0	114.1	D553 R647 R816 H820 V852 I856 T859 V863	D553-Y861 HydrophobicContact CB-CD2 4.37Å; R647-Y861 VanDerWaalsContact CZ-OH 3.27Å; R647-Y861 PolarHBondContact NH1-OH 2.88Å; R816-Y861 HydrophobicContact CG-CD2 4.19Å; R816-Y861 HydrophobicContact CG-CE2 3.58Å; R816-Y861 PolarHBondContact NH1-O 3.44Å; R816-Y861 PolarHBondContact NH2-O 3.26Å; H820-Y861 AromaticContact CE1-CE2 3.75Å; V852-Y861 HydrophobicContact CG1-CD2 4.24Å; V852-Y861 HydrophobicContact CG1-CE1 4.01Å; V852-Y861 HydrophobicContact CG1-CE2 3.58Å; V852-Y861 VanDerWaalsContact CG1-CZ 3.47Å; V852-Y861 HydrophobicContact CG2-CE1 3.99Å; I856-Y861 HydrophobicContact CD1-CD2 4.23Å; I856-Y861 HydrophobicContact CD1-CG 3.95Å; T859-Y861 WeakPolarHBondContact O-CD1 3.42Å; T859-Y861 PolarHBondContact O-N 3.37Å; Y861-V863 VanDerWaalsContact C-N 3.31Å; Y861-V863 PolarHBondContact O-N 2.81Å
862	F	90.3	Very high	87.5	Confident	5 Å²	5	41.2 Å²	41.2	2%	0.022	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.7	-179.3	52	-96.2	0	0	0	114.5	V637 R647 F809 L812 A813 R816 M860	V637-F862 HydrophobicContact CG2-CZ 4.34Å; R647-F862 HydrophobicContact CB-CE1 4.02Å; F809-F862 HydrophobicContact CB-CE2 3.82Å; F809-F862 HydrophobicContact CB-CZ 4.42Å; F809-F862 HydrophobicContact CD1-CE2 4.08Å; F809-F862 HydrophobicContact CG-CE2 4.22Å; L812-F862 HydrophobicContact CB-CD2 3.96Å; A813-F862 HydrophobicContact CB-CB 4.44Å; A813-F862 HydrophobicContact CB-CD1 4.16Å; A813-F862 HydrophobicContact CB-CD2 4.39Å; A813-F862 HydrophobicContact CB-CG 4.06Å; R816-F862 HydrophobicContact CB-CB 3.93Å; R816-F862 HydrophobicContact CG-CB 4.19Å; R816-F862 PolarHBondContact NH2-O 2.88Å; M860-F862 HydrophobicContact CB-CZ 4.47Å; M860-F862 HydrophobicContact CG-CZ 4.29Å; M860-F862 PolarHBondContact O-N 3.11Å
863	V	88.2	Confident	87.3	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.03	24%	0.235	C	C	.	.			trans	-69.3	0	-178.7	170.8	0	0	0	0	113.8	M589 K590 R796 F809 R816 M860 Y861	M589-V863 HydrophobicContact CB-CG1 4.27Å; M589-V863 HydrophobicContact CE-CG1 3.57Å; M589-V863 HydrophobicContact SD-CG1 4.23Å; K590-V863 WeakPolarHBondContact CE-O 3.48Å; K590-V863 PolarHBondContact NZ-O 3.31Å; R796-V863 HydrophobicContact CG-CG1 3.67Å; R796-V863 PolarHBondContact NE-OXT 3.44Å; R796-V863 PolarHBondContact NH2-OXT 2.98Å; F809-V863 HydrophobicContact CD1-CG2 4.15Å; F809-V863 HydrophobicContact CE1-CG2 4.03Å; R816-V863 PolarHBondContact NH2-O 3.36Å; M860-V863 HydrophobicContact CB-CB 4.45Å; M860-V863 HydrophobicContact CB-CG2 3.8Å; M860-V863 HydrophobicContact CG-CG2 4.5Å; M860-V863 WeakPolarHBondContact O-CB 3.4Å; M860-V863 PolarHBondContact O-N 3.32Å; M860-V863 VanDerWaalsContact O-N 3.08Å; M860-V863 HydrophobicContact SD-CG2 4.26Å; Y861-V863 VanDerWaalsContact C-N 3.31Å; Y861-V863 PolarHBondContact O-N 2.81Å

Retrieved 863 of 863 residues in 3404 ms (Link to these results)

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