A0A5K4FBD3_SCHMA Loading...

PID domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,039 aa.

						>A0A5K4FBD3_SCHMA|A0A5K4FBD3
MPFRRHAYDFMLDDGLDTRIPVYSDEVFKQGIHFCAKFVGGMDIPRPQNRLEIVSSMRRIRYEFKEKGIKKQKVLIKISADGVFIYLRKKPKFGIRWPVSRTFISSSQNPGNRVFSEILTTDTTSVKDSNGITGEYDAISATGSGLLGLGLRDTSMLDCIHQSNLLLYHPIYRIFYVSHDSQDLKIFSYIARDSRTSVFRCNVFKAYKKLQAMRIVRTVGQAFDVCHRIALQKQGQQPETTENNNNGNNVDENNEPDQDNIEKSDKKTTNTTINHTDSSNKLDDSNKLTKHNGDLNHHKTKSKHKFKQHKTIKQEKVVNLKNDRKIEKHRDRKTTHDSTINDHGDDDVDKGNKENEIKKSYKSHKTKDLLNDLNKTDNTLVDIEPVELIHESIELIDIDHDQQEKSCHKSKSTINQQKSYRKKHTSKFSSGSETESSPCIHNHSRDNSETSKSSKQTITSNSSVNSRILTDHSISNASSLSSICSKDKLQIRHRHEHHKHHKRRPTSSHKSTKLKTSITTRDLVWMLQTGEDRNEKTDLFTKELLSLFTENTASTSLLLEQGRRMHQSRSLDTNVARDLLNESSLQSPNNLSNTLLTDSALPETLSTDQKSIGTVSSEMTNINSLCQYQSNKPILPNSSVDTSLHQHCIKQLVRQNWDLRTWLNQMSDRLERLELLTSNKIEHNNNPIIQSTNTNNPNNNVNISMNQSKLFTTGNDKFISDRRLLPNSASFSVQSGNKSITDQNVLNSLSFSGWNNSVNPNNETNYKPLSNSNPFRMPRSISALTGTIDEMNIIRSEFNTPYSTYLTNKPSIPSSLNENCKILNSNNSHITSKETTNLEDDGFLQLANRKEVSELQDKFKTLKHSWSMKGGNNLSIQDQIFGVTSLPRSISAVNSPLEAMAFETTVSSNQLMNQTCSQNNCFQTINSNMNCVQTLQSSKGTEHQIKDVTLVSNERNGTSSFLKLLPQPPKRKNSATTQIDHKMNNHEHTSIEATLGIGELTDYNTTNELSKLTSIEQTSDLNELGNFKNTTTYLPTDSR
					

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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	35.5	Very low	40.4	Very low	208 Å²	208	167.4 Å²	167.4	100%	1.025	78%	0.78	S	S	*	*				0	134	0	-60.4	177.7	-175.9	0	0	108.4
2	P	44.4	Very low	40.7	Very low	121 Å²	121	166 Å²	166	79%	0.786	78%	0.781	S	S	*	*			trans	-95	109.7	-174.6	33.6	-30.4	0	0	0	112.9	R4	P2-R4 PolarHBondContact O-N 3.04Å; P2-R4 VanDerWaalsContact O-N 3.16Å
3	F	38.1	Very low	40.9	Very low	198 Å²	198	164.5 Å²	164.5	87%	0.868	78%	0.781	S	S	*	*			trans	-66.3	106.4	161.9	-74.2	-100.1	0	0	0	108.9	R5	F3-R5 PolarHBondContact O-N 3.29Å
4	R	44.8	Very low	41.5	Very low	208 Å²	208	158.8 Å²	158.8	79%	0.785	76%	0.758	S	S	*	*			trans	-77.5	121.1	173.5	-78.3	-162.5	177.4	-127.2	2.3	110.3	P2 H6	P2-R4 PolarHBondContact O-N 3.04Å; P2-R4 VanDerWaalsContact O-N 3.16Å; R4-H6 PolarHBondContact O-N 3.37Å
5	R	43.2	Very low	42	Very low	240 Å²	240	154 Å²	154	91%	0.906	77%	0.767	S	S	*	*			trans	-75	68.1	-179.8	-55.6	-177	-169.4	104.9	-2.5	111.7	F3	F3-R5 PolarHBondContact O-N 3.29Å
6	H	47	Very low	42.9	Very low	165 Å²	165	148.8 Å²	148.8	76%	0.764	74%	0.742	S	S	*	*			trans	-107.8	68.4	164.6	-64	-62.8	0	0	0	108.4	R4	R4-H6 PolarHBondContact O-N 3.37Å
7	A	36.4	Very low	44	Very low	69 Å²	69	143.2 Å²	143.2	57%	0.57	72%	0.715	S	S	*	*			trans	-120.6	128.8	178.8	0	0	0	0	0	108.5
8	Y	31.3	Very low	45.3	Very low	204 Å²	204	141.6 Å²	141.6	80%	0.8	72%	0.715	S	S	*	*			trans	61.7	67.2	174.9	-43	-69.7	0	0	0	115.9	F10	Y8-F10 AromaticContact CD1-CD2 3.87Å; Y8-F10 HydrophobicContact CD1-CD2 3.87Å; Y8-F10 AromaticContact CD1-CE2 3.92Å; Y8-F10 HydrophobicContact CD1-CE2 3.92Å; Y8-F10 HydrophobicContact CE1-CE2 4.33Å
9	D	38	Very low	46.5	Very low	126 Å²	126	145.2 Å²	145.2	67%	0.674	72%	0.719	S	S	*	*				-109.1	114.7	128.8	-157.8	-10.3	0	0	0	108.4	M11	D9-M11 PolarHBondContact OD1-N 3.36Å
10	F	43	Very low	48	Very low	148 Å²	148	141.5 Å²	141.5	65%	0.649	70%	0.701	S	S	*	*			trans	-121.7	6.6	-179.1	-96	-82.3	0	0	0	111.8	Y8	Y8-F10 AromaticContact CD1-CD2 3.87Å; Y8-F10 HydrophobicContact CD1-CD2 3.87Å; Y8-F10 AromaticContact CD1-CE2 3.92Å; Y8-F10 HydrophobicContact CD1-CE2 3.92Å; Y8-F10 HydrophobicContact CE1-CE2 4.33Å
11	M	43	Very low	49.5	Very low	154 Å²	154	138.9 Å²	138.9	76%	0.759	69%	0.694	S	S	*	*	S	Bend	trans	-115.3	174.7	173.9	-67.9	170.7	61.5	0	0	107.7	D9	D9-M11 PolarHBondContact OD1-N 3.36Å
12	L	43.4	Very low	51.6	Low	151 Å²	151	130.9 Å²	130.9	79%	0.791	66%	0.657	S	S	*	*			trans	55.3	72.6	175.1	-48.8	-176.6	0	0	0	115.6
13	D	43.8	Very low	53.7	Low	146 Å²	146	127.4 Å²	127.4	78%	0.781	63%	0.629	S	S	*	*	S	Bend		-163.8	146.2	128.7	-105.2	-22.1	0	0	0	110.8
14	D	49.5	Very low	56.2	Low	85 Å²	85	120.9 Å²	120.9	46%	0.455	61%	0.608	S	S	.	*	S	Bend	trans	56.6	104.2	-164.7	-69.4	4.9	0	0	0	114.4	L16 L210	D14-L16 PolarHBondContact O-N 3.14Å; D14-L210 WeakPolarHBondContact OD2-CD1 3.48Å; D14-L210 WeakPolarHBondContact OD2-CD2 3.39Å
15	G	48.5	Very low	58.3	Low	87 Å²	87	114.1 Å²	114.1	90%	0.897	59%	0.587	S	S	*	*			trans	-67.2	41	-175.8	0	0	0	0	0	117.5	D17	G15-D17 PolarHBondContact O-N 3.43Å
16	L	56.9	Low	60.5	Low	70 Å²	70	107.5 Å²	107.5	37%	0.366	57%	0.567	S	S	.	*			trans	-89.9	85	172.9	-69	173.8	0	0	0	110.5	D14 T18 R217	D14-L16 PolarHBondContact O-N 3.14Å; L16-T18 PolarHBondContact O-N 3.47Å; L16-R217 PolarHBondContact O-NH2 3.14Å
17	D	60.9	Low	62.6	Low	54 Å²	54	101.8 Å²	101.8	29%	0.289	54%	0.543	S	S	.	.			trans	-48.3	124.5	165.7	176.6	-4.5	0	0	0	109.8	G15 R19 I20	G15-D17 PolarHBondContact O-N 3.43Å; D17-R19 PolarHBondContact O-N 3.08Å; D17-R19 VanDerWaalsContact O-N 3.08Å; D17-R19 VanDerWaalsContact OD1-CB 3.31Å; D17-R19 WeakPolarHBondContact OD1-CB 3.36Å; D17-R19 WeakPolarHBondContact OD1-CG 3.11Å; D17-R19 PolarHBondContact OD1-N 3.47Å; D17-R19 IonicContact OD1-NE 2.86Å; D17-R19 PolarHBondContact OD1-NE 3.35Å; D17-R19 VanDerWaalsContact OD1-NE 3.13Å; D17-R19 IonicContact OD2-CZ 2.68Å; D17-R19 IonicContact OD2-NE 2.69Å; D17-R19 PolarHBondContact OD2-NE 3.12Å; D17-R19 IonicContact OD2-NH2 3.41Å; D17-R19 PolarHBondContact OD2-NH2 3.32Å; D17-I20 HydrophobicContact CB-CD1 3.91Å; D17-I20 HydrophobicContact CB-CG1 4.02Å; D17-I20 PolarHBondContact O-N 2.7Å
18	T	67	Low	65.3	Low	115 Å²	115	98.6 Å²	98.6	71%	0.706	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.9	-178.5	45.8	0	0	0	0	114.1	L16 I20	L16-T18 PolarHBondContact O-N 3.47Å; T18-I20 VanDerWaalsContact C-N 3.32Å
19	R	69.7	Low	68	Low	210 Å²	210	95.1 Å²	95.1	79%	0.792	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-16.6	174.7	-59	174.7	-65.5	-176.3	5.2	113	D17	D17-R19 PolarHBondContact O-N 3.08Å; D17-R19 VanDerWaalsContact O-N 3.08Å; D17-R19 VanDerWaalsContact OD1-CB 3.31Å; D17-R19 WeakPolarHBondContact OD1-CB 3.36Å; D17-R19 WeakPolarHBondContact OD1-CG 3.11Å; D17-R19 PolarHBondContact OD1-N 3.47Å; D17-R19 IonicContact OD1-NE 2.86Å; D17-R19 PolarHBondContact OD1-NE 3.35Å; D17-R19 VanDerWaalsContact OD1-NE 3.13Å; D17-R19 IonicContact OD2-CZ 2.68Å; D17-R19 IonicContact OD2-NE 2.69Å; D17-R19 PolarHBondContact OD2-NE 3.12Å; D17-R19 IonicContact OD2-NH2 3.41Å; D17-R19 PolarHBondContact OD2-NH2 3.32Å
20	I	76.7	Confident	70.4	Confident	71 Å²	71	93.7 Å²	93.7	36%	0.364	50%	0.495	S	S	.	.	S	Bend	trans	-91.4	125.5	-177.1	-58.3	178.7	0	0	0	110	D17 T18 V22 Q221	D17-I20 HydrophobicContact CB-CD1 3.91Å; D17-I20 HydrophobicContact CB-CG1 4.02Å; D17-I20 PolarHBondContact O-N 2.7Å; T18-I20 VanDerWaalsContact C-N 3.32Å; I20-V22 PolarHBondContact O-N 3.38Å; I20-Q221 PolarHBondContact O-NE2 3.49Å
21	P	79	Confident	72.7	Confident	86 Å²	86	86.7 Å²	86.7	56%	0.558	46%	0.464	S	S	*	.			trans	-56.1	127.6	168.5	-26	35.8	0	0	0	111.4	Y23	P21-Y23 WeakPolarHBondContact CB-O 3.21Å
22	V	79.4	Confident	75.1	Confident	40 Å²	40	79.7 Å²	79.7	24%	0.242	43%	0.43	C	S	.	.	S	Bend	trans	-80.3	-27	178.4	179.9	0	0	0	0	110.3	I20 R217	I20-V22 PolarHBondContact O-N 3.38Å; V22-R217 HydrophobicContact CG2-CB 4.34Å
23	Y	89.1	Confident	77.5	Confident	49 Å²	49	73.6 Å²	73.6	19%	0.192	40%	0.397	C	S	.	.	S	Bend	trans	-132.6	152	174.6	-62.3	-87.4	0	0	0	108.9	P21 V27 I32 F34 R214 T218	P21-Y23 WeakPolarHBondContact CB-O 3.21Å; Y23-V27 HydrophobicContact CD1-CG1 4.26Å; Y23-I32 HydrophobicContact CD1-CD1 3.92Å; Y23-I32 HydrophobicContact CD1-CG1 4.15Å; Y23-I32 HydrophobicContact CD1-CG2 4.45Å; Y23-I32 HydrophobicContact CD2-CD1 3.62Å; Y23-I32 HydrophobicContact CE1-CD1 4.41Å; Y23-I32 HydrophobicContact CE1-CG1 4.38Å; Y23-I32 HydrophobicContact CE1-CG2 3.87Å; Y23-I32 HydrophobicContact CE2-CD1 4.16Å; Y23-I32 HydrophobicContact CE2-CG2 4Å; Y23-I32 HydrophobicContact CG-CD1 3.49Å; Y23-I32 VanDerWaalsContact CG-CD1 3.49Å; Y23-I32 HydrophobicContact CG-CG1 4.23Å; Y23-F34 HydrophobicContact CE2-CZ 4.38Å; Y23-R214 PolarHBondContact OH-NH2 3.4Å; Y23-T218 HydrophobicContact CD2-CG2 4.13Å; Y23-T218 HydrophobicContact CE2-CG2 4.2Å; Y23-T218 WeakPolarHBondContact CE2-OG1 3.21Å
24	S	89.3	Confident	80	Confident	60 Å²	60	67.1 Å²	67.1	42%	0.42	36%	0.362	S	S	.	.			trans	-77	153.6	169.8	43.7	0	0	0	0	111.3	E26 V27 F28	S24-E26 PolarHBondContact O-N 2.97Å; S24-E26 VanDerWaalsContact O-N 3.12Å; S24-V27 PolarHBondContact O-N 3.04Å; S24-F28 WeakPolarHBondContact O-CD2 3.49Å
25	D	90	Very high	82.1	Confident	67 Å²	67	64.1 Å²	64.1	36%	0.358	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-39.7	177.6	-74.5	26.6	0	0	0	113	V27 F28 R228	D25-V27 VanDerWaalsContact C-N 3.33Å; D25-V27 PolarHBondContact O-N 3.34Å; D25-F28 WeakPolarHBondContact O-CB 3.05Å; D25-F28 PolarHBondContact O-N 3.27Å; D25-F28 VanDerWaalsContact O-N 3.12Å; D25-R228 IonicContact OD1-CZ 3.97Å; D25-R228 IonicContact OD1-NH2 2.88Å; D25-R228 PolarHBondContact OD1-NH2 3.11Å; D25-R228 IonicContact OD2-CZ 3.19Å; D25-R228 IonicContact OD2-NE 2.84Å; D25-R228 PolarHBondContact OD2-NE 2.87Å; D25-R228 IonicContact OD2-NH2 2.74Å; D25-R228 PolarHBondContact OD2-NH2 2.84Å
26	E	88.7	Confident	84.3	Confident	101 Å²	101	60 Å²	60	47%	0.472	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-43.8	177.6	-67.5	-55.8	125.5	0	0	113.1	S24 F28 K29 Q30	S24-E26 PolarHBondContact O-N 2.97Å; S24-E26 VanDerWaalsContact O-N 3.12Å; E26-F28 PolarHBondContact O-N 3.37Å; E26-F28 VanDerWaalsContact O-N 3.15Å; E26-K29 WeakPolarHBondContact O-CB 3.38Å; E26-K29 WeakPolarHBondContact O-CG 3.43Å; E26-K29 PolarHBondContact O-N 3.21Å; E26-K29 WeakPolarHBondContact OE1-CE 3.44Å; E26-K29 IonicContact OE1-NZ 2.7Å; E26-K29 PolarHBondContact OE1-NZ 3.47Å; E26-K29 WeakPolarHBondContact OE2-CD 3.48Å; E26-K29 VanDerWaalsContact OE2-CE 3.28Å; E26-K29 WeakPolarHBondContact OE2-CE 3.35Å; E26-K29 IonicContact OE2-NZ 2.66Å; E26-K29 PolarHBondContact OE2-NZ 3.11Å; E26-Q30 PolarHBondContact O-OE1 3.14Å
27	V	91.2	Very high	86.3	Confident	45 Å²	45	60.3 Å²	60.3	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-20.7	-177	-165.5	0	0	0	0	111.8	Y23 S24 D25 K29 G31 I32	Y23-V27 HydrophobicContact CD1-CG1 4.26Å; S24-V27 PolarHBondContact O-N 3.04Å; D25-V27 VanDerWaalsContact C-N 3.33Å; D25-V27 PolarHBondContact O-N 3.34Å; V27-K29 PolarHBondContact O-N 3.14Å; V27-G31 WeakPolarHBondContact O-CA 3.46Å; V27-G31 PolarHBondContact O-N 3.4Å; V27-I32 HydrophobicContact CB-CG1 4.42Å; V27-I32 HydrophobicContact CG1-CD1 4.38Å; V27-I32 HydrophobicContact CG1-CG1 3.69Å
28	F	92.4	Very high	88	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-74.3	-12	172.9	-68.6	-87.5	0	0	0	113.4	S24 D25 E26 I32 I78 S79 A80 T218 Q221 A222 V225	S24-F28 WeakPolarHBondContact O-CD2 3.49Å; D25-F28 WeakPolarHBondContact O-CB 3.05Å; D25-F28 PolarHBondContact O-N 3.27Å; D25-F28 VanDerWaalsContact O-N 3.12Å; E26-F28 PolarHBondContact O-N 3.37Å; E26-F28 VanDerWaalsContact O-N 3.15Å; F28-I32 HydrophobicContact CD1-CD1 3.96Å; F28-I32 HydrophobicContact CD2-CD1 4.4Å; F28-I32 HydrophobicContact CE1-CD1 3.64Å; F28-I32 HydrophobicContact CE2-CD1 4.12Å; F28-I32 HydrophobicContact CG-CD1 4.33Å; F28-I32 HydrophobicContact CZ-CD1 3.72Å; F28-I78 HydrophobicContact CE1-CG2 4.47Å; F28-S79 WeakPolarHBondContact O-CA 3.37Å; F28-S79 WeakPolarHBondContact O-CB 3.29Å; F28-A80 HydrophobicContact CB-CB 4.31Å; F28-A80 PolarHBondContact O-N 2.9Å; F28-T218 HydrophobicContact CE1-CG2 3.87Å; F28-T218 WeakPolarHBondContact CE1-O 3.4Å; F28-T218 HydrophobicContact CZ-CG2 4.12Å; F28-Q221 HydrophobicContact CE2-CB 4.29Å; F28-Q221 HydrophobicContact CZ-CB 3.69Å; F28-A222 HydrophobicContact CD1-CB 4.02Å; F28-A222 HydrophobicContact CE1-CB 3.81Å; F28-V225 HydrophobicContact CB-CG1 4.28Å; F28-V225 HydrophobicContact CD2-CG2 3.93Å; F28-V225 HydrophobicContact CE2-CG2 4.23Å; F28-V225 HydrophobicContact CG-CG2 4.32Å
29	K	89	Confident	89.4	Confident	131 Å²	131	53.5 Å²	53.5	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-75.6	-52.3	171.4	-57.7	178.1	-174.4	168.9	0	111.1	E26 V27	E26-K29 WeakPolarHBondContact O-CB 3.38Å; E26-K29 WeakPolarHBondContact O-CG 3.43Å; E26-K29 PolarHBondContact O-N 3.21Å; E26-K29 WeakPolarHBondContact OE1-CE 3.44Å; E26-K29 IonicContact OE1-NZ 2.7Å; E26-K29 PolarHBondContact OE1-NZ 3.47Å; E26-K29 WeakPolarHBondContact OE2-CD 3.48Å; E26-K29 VanDerWaalsContact OE2-CE 3.28Å; E26-K29 WeakPolarHBondContact OE2-CE 3.35Å; E26-K29 IonicContact OE2-NZ 2.66Å; E26-K29 PolarHBondContact OE2-NZ 3.11Å; V27-K29 PolarHBondContact O-N 3.14Å
30	Q	87.4	Confident	90.7	Very high	95 Å²	95	43.5 Å²	43.5	44%	0.444	22%	0.224	S	C	.	.	H	α-helix	trans	-72.8	-36.1	175.8	-54.1	78	15.1	0	0	111.1	E26 K77 L149	E26-Q30 PolarHBondContact O-OE1 3.14Å; Q30-K77 WeakPolarHBondContact O-CE 3.34Å; Q30-K77 PolarHBondContact O-NZ 2.7Å; Q30-L149 HydrophobicContact CB-CD2 3.54Å; Q30-L149 HydrophobicContact CG-CD2 4.23Å
31	G	91.7	Very high	91.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	22%	0.215	C	C	.	.			trans	96	143.8	175.1	0	0	0	0	0	113.9	V27 H33 I78	V27-G31 WeakPolarHBondContact O-CA 3.46Å; V27-G31 PolarHBondContact O-N 3.4Å; G31-H33 PolarHBondContact O-CD2 3.1Å; G31-H33 VanDerWaalsContact O-CD2 3.28Å; G31-I78 CarbonylContact C-O 3.56Å; G31-I78 VanDerWaalsContact CA-O 3.25Å; G31-I78 WeakPolarHBondContact CA-O 3.15Å
32	I	93.6	Very high	92.4	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.7	-169.3	-55.4	155.1	0	0	0	109.7	Y23 V27 F28 F34 K77 I78 T218	Y23-I32 HydrophobicContact CD1-CD1 3.92Å; Y23-I32 HydrophobicContact CD1-CG1 4.15Å; Y23-I32 HydrophobicContact CD1-CG2 4.45Å; Y23-I32 HydrophobicContact CD2-CD1 3.62Å; Y23-I32 HydrophobicContact CE1-CD1 4.41Å; Y23-I32 HydrophobicContact CE1-CG1 4.38Å; Y23-I32 HydrophobicContact CE1-CG2 3.87Å; Y23-I32 HydrophobicContact CE2-CD1 4.16Å; Y23-I32 HydrophobicContact CE2-CG2 4Å; Y23-I32 HydrophobicContact CG-CD1 3.49Å; Y23-I32 VanDerWaalsContact CG-CD1 3.49Å; Y23-I32 HydrophobicContact CG-CG1 4.23Å; V27-I32 HydrophobicContact CB-CG1 4.42Å; V27-I32 HydrophobicContact CG1-CD1 4.38Å; V27-I32 HydrophobicContact CG1-CG1 3.69Å; F28-I32 HydrophobicContact CD1-CD1 3.96Å; F28-I32 HydrophobicContact CD2-CD1 4.4Å; F28-I32 HydrophobicContact CE1-CD1 3.64Å; F28-I32 HydrophobicContact CE2-CD1 4.12Å; F28-I32 HydrophobicContact CG-CD1 4.33Å; F28-I32 HydrophobicContact CZ-CD1 3.72Å; I32-F34 HydrophobicContact CB-CE2 4.21Å; I32-F34 HydrophobicContact CG2-CD2 4.25Å; I32-F34 HydrophobicContact CG2-CE2 3.43Å; I32-F34 VanDerWaalsContact CG2-CE2 3.43Å; I32-F34 HydrophobicContact CG2-CZ 3.73Å; I32-K77 WeakPolarHBondContact O-CA 3.36Å; I32-I78 PolarHBondContact N-O 2.96Å; I32-I78 PolarHBondContact O-N 3.3Å; I32-T218 HydrophobicContact CB-CG2 4.23Å; I32-T218 HydrophobicContact CD1-CG2 3.44Å; I32-T218 VanDerWaalsContact CD1-CG2 3.44Å; I32-T218 HydrophobicContact CG1-CG2 4.44Å; I32-T218 HydrophobicContact CG2-CG2 4.31Å
33	H	94.1	Very high	93.2	Very high	22 Å²	22	41.3 Å²	41.3	10%	0.102	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.6	-168.5	-78.8	-92.3	0	0	0	113.6	G31 L75 I76 K77 L151 I160	G31-H33 PolarHBondContact O-CD2 3.1Å; G31-H33 VanDerWaalsContact O-CD2 3.28Å; H33-L75 HydrophobicContact CB-CD1 4.05Å; H33-I76 CarbonylContact C-O 3.54Å; H33-I76 WeakPolarHBondContact CA-O 3.19Å; H33-K77 WeakPolarHBondContact NE2-CD 3.39Å; H33-L151 HydrophobicContact CB-CD1 4.2Å; H33-L151 HydrophobicContact CB-CG 4.19Å; H33-I160 WeakPolarHBondContact CE1-CD1 3.43Å
34	F	94.9	Very high	93.4	Very high	11 Å²	11	39.6 Å²	39.6	5%	0.048	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.2	-179.9	-64.8	-85.2	0	0	0	112.9	Y23 I32 I76 I78 R214 I215 T218	Y23-F34 HydrophobicContact CE2-CZ 4.38Å; I32-F34 HydrophobicContact CB-CE2 4.21Å; I32-F34 HydrophobicContact CG2-CD2 4.25Å; I32-F34 HydrophobicContact CG2-CE2 3.43Å; I32-F34 VanDerWaalsContact CG2-CE2 3.43Å; I32-F34 HydrophobicContact CG2-CZ 3.73Å; F34-I76 PolarHBondContact N-O 2.86Å; F34-I76 PolarHBondContact O-N 2.94Å; F34-I78 HydrophobicContact CD2-CD1 3.91Å; F34-I78 HydrophobicContact CE2-CD1 3.85Å; F34-R214 HydrophobicContact CE1-CB 4.22Å; F34-I215 HydrophobicContact CB-CD1 3.85Å; F34-I215 HydrophobicContact CB-CG1 3.83Å; F34-I215 HydrophobicContact CD1-CD1 4.13Å; F34-I215 HydrophobicContact CD1-CG1 3.5Å; F34-I215 HydrophobicContact CD2-CG1 3.89Å; F34-I215 HydrophobicContact CE1-CG1 3.95Å; F34-I215 HydrophobicContact CE2-CG1 4.29Å; F34-I215 HydrophobicContact CG-CD1 4.05Å; F34-I215 HydrophobicContact CG-CG1 3.47Å; F34-I215 VanDerWaalsContact CG-CG1 3.47Å; F34-I215 HydrophobicContact CZ-CG1 4.32Å; F34-T218 HydrophobicContact CE2-CG2 4.04Å; F34-T218 HydrophobicContact CZ-CG2 4.42Å; F34-T218 WeakPolarHBondContact CZ-OG1 3.27Å
35	C	94.2	Very high	93.6	Very high	22 Å²	22	41.8 Å²	41.8	15%	0.149	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.4	170.2	-78.6	0	0	0	0	111.7	R88 Y207 Q211	C35-R88 PolarHBondContact SG-NH1 3.03Å; C35-Y207 HydrophobicContact CB-CE2 3.99Å; C35-Y207 WeakPolarHBondContact O-CD2 3.24Å; C35-Y207 WeakPolarHBondContact O-CE2 3.4Å; C35-Q211 PolarHBondContact O-NE2 2.84Å; C35-Q211 PolarHBondContact O-OE1 3.38Å
36	A	96	Very high	93.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	-177.7	175.6	0	0	0	0	0	111.9	V74 I76 F187	A36-V74 HydrophobicContact CB-CG2 4.08Å; A36-V74 PolarHBondContact N-O 3.35Å; A36-V74 PolarHBondContact O-N 3.21Å; A36-I76 HydrophobicContact CB-CD1 3.8Å; A36-I76 HydrophobicContact CB-CG1 4.31Å; A36-F187 HydrophobicContact CB-CE1 4.46Å; A36-F187 HydrophobicContact CB-CZ 4.24Å
37	K	97.1	Very high	93.8	Very high	77 Å²	77	40.9 Å²	40.9	34%	0.335	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.8	168.5	-63.4	172	-175.2	167.4	0	109	V39 K71 Q72 F204 K205 Y207	K37-V39 PolarHBondContact O-N 2.8Å; K37-K71 HydrophobicContact CB-CB 4.28Å; K37-Q72 CarbonylContact C-O 3.47Å; K37-Q72 WeakPolarHBondContact CA-O 3.3Å; K37-F204 CarbonylContact O-C 3.52Å; K37-F204 WeakPolarHBondContact O-CA 3.44Å; K37-K205 PolarHBondContact N-O 3.05Å; K37-K205 PolarHBondContact O-N 3.24Å; K37-Y207 VanDerWaalsContact CE-CE1 3.46Å
38	F	97.6	Very high	93.8	Very high	22 Å²	22	45.8 Å²	45.8	10%	0.096	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	127.9	173.9	-177.3	-129.9	0	0	0	109.1	G40 K71 Q72 V74 L166 L167 N202 V203 F204	F38-G40 VanDerWaalsContact CE2-C 3.42Å; F38-G40 WeakPolarHBondContact CE2-O 3.48Å; F38-K71 CarbonylContact O-C 3.57Å; F38-K71 VanDerWaalsContact O-CA 3.26Å; F38-K71 WeakPolarHBondContact O-CA 3.37Å; F38-K71 WeakPolarHBondContact O-CB 3.48Å; F38-Q72 PolarHBondContact N-O 3.12Å; F38-Q72 PolarHBondContact O-N 3.33Å; F38-V74 HydrophobicContact CB-CG1 3.88Å; F38-V74 HydrophobicContact CB-CG2 4.2Å; F38-L166 HydrophobicContact CD1-CD2 3.66Å; F38-L166 HydrophobicContact CE1-CD2 3.91Å; F38-L166 HydrophobicContact CG-CD2 4.26Å; F38-L167 HydrophobicContact CE2-CD1 4.25Å; F38-L167 HydrophobicContact CZ-CD1 4.13Å; F38-N202 HydrophobicContact CE2-CB 4.27Å; F38-V203 WeakPolarHBondContact CD2-O 3.44Å; F38-F204 HydrophobicContact CB-CD1 4.24Å; F38-F204 HydrophobicContact CB-CE1 4.21Å; F38-F204 AromaticContact CD2-CD1 3.9Å; F38-F204 HydrophobicContact CD2-CD1 3.9Å; F38-F204 AromaticContact CD2-CE1 3.47Å; F38-F204 HydrophobicContact CD2-CE1 3.47Å; F38-F204 VanDerWaalsContact CD2-CE1 3.47Å; F38-F204 HydrophobicContact CD2-CE2 4.47Å; F38-F204 AromaticContact CD2-CZ 3.78Å; F38-F204 HydrophobicContact CD2-CZ 3.78Å; F38-F204 HydrophobicContact CE2-CE1 4.24Å; F38-F204 HydrophobicContact CE2-CZ 4.09Å; F38-F204 HydrophobicContact CG-CE1 4.22Å
39	V	97.3	Very high	93.8	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-44.7	178.5	-177.9	0	0	0	0	109.9	K37 F64 K71 I186 V203 K205	K37-V39 PolarHBondContact O-N 2.8Å; V39-F64 HydrophobicContact CG1-CB 4.44Å; V39-F64 WeakPolarHBondContact O-CD1 3.44Å; V39-F64 WeakPolarHBondContact O-CG 3.29Å; V39-K71 HydrophobicContact CG1-CD 4.46Å; V39-K71 HydrophobicContact CG2-CD 4.08Å; V39-I186 HydrophobicContact CG2-CD1 4.33Å; V39-V203 HydrophobicContact CB-CB 4.22Å; V39-V203 HydrophobicContact CB-CG1 4.18Å; V39-V203 VanDerWaalsContact CB-O 3.3Å; V39-V203 WeakPolarHBondContact CB-O 3.47Å; V39-V203 HydrophobicContact CG2-CG1 4.12Å; V39-V203 PolarHBondContact N-O 2.86Å; V39-K205 HydrophobicContact CG2-CB 4.34Å
40	G	96.6	Very high	93.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.9	168.7	-170.8	0	0	0	0	0	109.8	F38 F64 V203	F38-G40 VanDerWaalsContact CE2-C 3.42Å; F38-G40 WeakPolarHBondContact CE2-O 3.48Å; G40-F64 VanDerWaalsContact CA-CE1 3.45Å; G40-V203 PolarHBondContact O-N 2.69Å
41	G	95.8	Very high	94.1	Very high	16 Å²	16	52.1 Å²	52.1	17%	0.165	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.9	172	0	0	0	0	0	109.7	C201	G41-C201 CarbonylContact C-O 3.57Å; G41-C201 WeakPolarHBondContact CA-O 3.49Å
42	M	95.1	Very high	94.2	Very high	39 Å²	39	55.8 Å²	55.8	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.7	-175.3	-168.9	-177.1	78	0	0	109.2	I44 R59 I60 C201	M42-I44 HydrophobicContact CE-CG2 4.06Å; M42-R59 HydrophobicContact CE-CG 4.31Å; M42-I60 HydrophobicContact CB-CD1 3.77Å; M42-I60 HydrophobicContact CB-CG1 3.62Å; M42-I60 HydrophobicContact CE-CG1 4.1Å; M42-I60 HydrophobicContact SD-CG1 4.26Å; M42-C201 PolarHBondContact N-O 2.92Å; M42-C201 PolarHBondContact O-N 3.21Å
43	D	95.6	Very high	94.2	Very high	95 Å²	95	55.8 Å²	55.8	51%	0.508	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	141	174.1	-61	-28.5	0	0	0	109.7	V198 R200	D43-V198 HydrophobicContact CB-CG1 3.7Å; D43-R200 WeakPolarHBondContact OD1-CB 3.39Å; D43-R200 WeakPolarHBondContact OD1-CD 3.37Å; D43-R200 VanDerWaalsContact OD1-CG 3.28Å; D43-R200 WeakPolarHBondContact OD1-CG 3.26Å
44	I	94.4	Very high	94.2	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.072	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.6	-172.4	58.3	160.1	0	0	0	110.2	M42 P47 I190 F199 C201	M42-I44 HydrophobicContact CE-CG2 4.06Å; I44-P47 HydrophobicContact CD1-CG 4.32Å; I44-I190 HydrophobicContact CD1-CD1 3.84Å; I44-I190 HydrophobicContact CD1-CG1 4.28Å; I44-I190 HydrophobicContact CD1-CG2 4.08Å; I44-F199 HydrophobicContact CD1-CB 4.45Å; I44-F199 HydrophobicContact CG1-CB 3.95Å; I44-F199 WeakPolarHBondContact CG1-O 3.48Å; I44-F199 PolarHBondContact N-O 3.13Å; I44-C201 HydrophobicContact CD1-CB 4.06Å; I44-C201 HydrophobicContact CG1-CB 4.35Å; I44-C201 HydrophobicContact CG2-CB 4.2Å
45	P	93	Very high	94.2	Very high	105 Å²	105	58.9 Å²	58.9	68%	0.682	30%	0.298	S	S	*	.			trans	-57.4	156.7	164	27.4	-35.7	0	0	0	110.3	P47	P45-P47 VanDerWaalsContact O-CD 3.25Å; P45-P47 WeakPolarHBondContact O-CD 3.31Å
46	R	92.5	Very high	94.2	Very high	143 Å²	143	58.8 Å²	58.8	54%	0.54	30%	0.297	S	S	.	.			trans	-57.7	112.7	176.8	178.1	176.7	177.8	-75.2	2.2	109.2	Q48 F199	R46-Q48 PolarHBondContact O-N 3.36Å; R46-F199 HydrophobicContact CB-CD2 3.76Å; R46-F199 HydrophobicContact CB-CE2 3.63Å; R46-F199 HydrophobicContact CB-CZ 4.34Å; R46-F199 HydrophobicContact CG-CD2 4.09Å; R46-F199 HydrophobicContact CG-CE1 4.46Å; R46-F199 HydrophobicContact CG-CE2 3.55Å; R46-F199 HydrophobicContact CG-CZ 3.76Å
47	P	90.9	Very high	94.2	Very high	7 Å²	7	58.8 Å²	58.8	5%	0.045	30%	0.297	C	S	.	.			trans	-71.8	125.8	-172.7	28.8	-35.1	0	0	0	110.6	I44 P45 E52 I53 F175 I190	I44-P47 HydrophobicContact CD1-CG 4.32Å; P45-P47 VanDerWaalsContact O-CD 3.25Å; P45-P47 WeakPolarHBondContact O-CD 3.31Å; P47-E52 WeakPolarHBondContact CA-OE2 3.47Å; P47-I53 HydrophobicContact CB-CD1 4.07Å; P47-I53 HydrophobicContact CB-CG1 3.57Å; P47-I53 HydrophobicContact CG-CD1 4.38Å; P47-I53 HydrophobicContact CG-CG1 4.2Å; P47-F175 HydrophobicContact CG-CD1 4.03Å; P47-F175 HydrophobicContact CG-CE1 3.89Å; P47-I190 HydrophobicContact CG-CD1 4.05Å
48	Q	91.1	Very high	94.2	Very high	148 Å²	148	57.4 Å²	57.4	69%	0.692	29%	0.29	S	S	*	.			trans	-101.6	-25.7	179.5	-163.4	75.8	-19.1	0	0	111.6	R46 E52	R46-Q48 PolarHBondContact O-N 3.36Å; Q48-E52 PolarHBondContact N-OE2 3.36Å
49	N	92.6	Very high	94.1	Very high	79 Å²	79	63.3 Å²	63.3	42%	0.422	31%	0.311	S	S	.	.	S	Bend	trans	-130.7	146.7	-179.4	-169.3	-30.8	0	0	0	112.7	L51 E52 I53	N49-L51 PolarHBondContact O-N 2.8Å; N49-L51 VanDerWaalsContact O-N 3.16Å; N49-L51 PolarHBondContact OD1-N 3.13Å; N49-E52 HydrophobicContact CB-CG 4.39Å; N49-E52 PolarHBondContact N-OE1 3.08Å; N49-E52 PolarHBondContact N-OE2 3.38Å; N49-E52 WeakPolarHBondContact O-CB 3.45Å; N49-E52 PolarHBondContact O-N 3.16Å; N49-I53 PolarHBondContact O-N 3.3Å
50	R	89.4	Confident	94.1	Very high	153 Å²	153	63.1 Å²	63.1	58%	0.577	31%	0.31	S	S	*	.	H	α-helix	trans	-50.4	-33.8	169.5	-174.4	-179.5	-178.3	-176.9	1.7	112.7	I53 V54	R50-I53 PolarHBondContact O-N 3.15Å; R50-V54 WeakPolarHBondContact O-CG2 3.48Å; R50-V54 PolarHBondContact O-N 3.49Å
51	L	91.9	Very high	94.1	Very high	128 Å²	128	65 Å²	65	67%	0.67	32%	0.317	S	S	*	.	H	α-helix	trans	-62.5	-42.4	176.1	-67.7	176.8	0	0	0	112.6	N49 I53 V54 S55	N49-L51 PolarHBondContact O-N 2.8Å; N49-L51 VanDerWaalsContact O-N 3.16Å; N49-L51 PolarHBondContact OD1-N 3.13Å; L51-I53 VanDerWaalsContact C-N 3.32Å; L51-I53 PolarHBondContact O-N 3Å; L51-V54 PolarHBondContact O-N 2.85Å; L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.49Å
52	E	93.8	Very high	94.1	Very high	79 Å²	79	70.6 Å²	70.6	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-36.9	177.3	-64	157	-148.5	0	0	111.6	P47 Q48 N49 S55 S56	P47-E52 WeakPolarHBondContact CA-OE2 3.47Å; Q48-E52 PolarHBondContact N-OE2 3.36Å; N49-E52 HydrophobicContact CB-CG 4.39Å; N49-E52 PolarHBondContact N-OE1 3.08Å; N49-E52 PolarHBondContact N-OE2 3.38Å; N49-E52 WeakPolarHBondContact O-CB 3.45Å; N49-E52 PolarHBondContact O-N 3.16Å; E52-S55 PolarHBondContact O-N 3.15Å; E52-S56 VanDerWaalsContact O-CB 3.23Å; E52-S56 WeakPolarHBondContact O-CB 3.39Å; E52-S56 PolarHBondContact O-N 2.97Å; E52-S56 PolarHBondContact O-OG 3.25Å
53	I	93.7	Very high	94.2	Very high	7 Å²	7	70.3 Å²	70.3	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-47.7	176.9	-63.5	175.8	0	0	0	110.5	P47 N49 R50 L51 S56 M57 Y176 I190	P47-I53 HydrophobicContact CB-CD1 4.07Å; P47-I53 HydrophobicContact CB-CG1 3.57Å; P47-I53 HydrophobicContact CG-CD1 4.38Å; P47-I53 HydrophobicContact CG-CG1 4.2Å; N49-I53 PolarHBondContact O-N 3.3Å; R50-I53 PolarHBondContact O-N 3.15Å; L51-I53 VanDerWaalsContact C-N 3.32Å; L51-I53 PolarHBondContact O-N 3Å; I53-S56 PolarHBondContact O-N 3.41Å; I53-M57 WeakPolarHBondContact O-CB 3.29Å; I53-M57 PolarHBondContact O-N 3Å; I53-Y176 HydrophobicContact CD1-CD1 3.57Å; I53-Y176 HydrophobicContact CD1-CD2 4.29Å; I53-Y176 HydrophobicContact CD1-CE1 3.67Å; I53-Y176 HydrophobicContact CD1-CE2 4.41Å; I53-Y176 HydrophobicContact CD1-CG 3.87Å; I53-Y176 HydrophobicContact CG2-CD1 3.83Å; I53-Y176 HydrophobicContact CG2-CE1 3.77Å; I53-I190 HydrophobicContact CB-CD1 4.32Å; I53-I190 HydrophobicContact CD1-CD1 4.2Å; I53-I190 HydrophobicContact CG1-CD1 3.82Å; I53-I190 HydrophobicContact CG2-CD1 3.86Å
54	V	94.4	Very high	94.2	Very high	23 Å²	23	67.7 Å²	67.7	14%	0.139	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-41.3	176.9	172.4	0	0	0	0	111.1	R50 L51 M57 R58	R50-V54 WeakPolarHBondContact O-CG2 3.48Å; R50-V54 PolarHBondContact O-N 3.49Å; L51-V54 PolarHBondContact O-N 2.85Å; V54-M57 PolarHBondContact O-N 2.9Å; V54-R58 WeakPolarHBondContact O-CB 3.41Å; V54-R58 VanDerWaalsContact O-CG 3.31Å; V54-R58 WeakPolarHBondContact O-CG 3.34Å; V54-R58 PolarHBondContact O-N 3.05Å
55	S	94.9	Very high	94.3	Very high	76 Å²	76	74.7 Å²	74.7	53%	0.531	35%	0.346	S	S	.	.	H	α-helix	trans	-59.6	-49.3	174.5	-174.5	0	0	0	0	111.5	L51 E52 M57 R58 R59	L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.49Å; E52-S55 PolarHBondContact O-N 3.15Å; S55-M57 PolarHBondContact O-N 3.41Å; S55-R58 PolarHBondContact O-N 3.24Å; S55-R59 WeakPolarHBondContact O-CB 3.41Å; S55-R59 PolarHBondContact O-N 3.31Å
56	S	95.7	Very high	94.4	Very high	19 Å²	19	77.4 Å²	77.4	13%	0.133	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-46.9	177	-62.5	0	0	0	0	112.4	E52 I53 R58 R59 I60	E52-S56 VanDerWaalsContact O-CB 3.23Å; E52-S56 WeakPolarHBondContact O-CB 3.39Å; E52-S56 PolarHBondContact O-N 2.97Å; E52-S56 PolarHBondContact O-OG 3.25Å; I53-S56 PolarHBondContact O-N 3.41Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 3.01Å; S56-R59 PolarHBondContact O-N 3Å; S56-I60 VanDerWaalsContact O-CG1 3.29Å; S56-I60 WeakPolarHBondContact O-CG1 3.18Å; S56-I60 PolarHBondContact O-N 3.41Å
57	M	95.8	Very high	94.6	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-58.6	-42.3	176.5	-170	-156.1	-69	0	0	111.1	I53 V54 S55 R61 S178 D180 I186 S188 V203	I53-M57 WeakPolarHBondContact O-CB 3.29Å; I53-M57 PolarHBondContact O-N 3Å; V54-M57 PolarHBondContact O-N 2.9Å; S55-M57 PolarHBondContact O-N 3.41Å; M57-R61 VanDerWaalsContact O-CG 3.26Å; M57-R61 WeakPolarHBondContact O-CG 3.3Å; M57-R61 PolarHBondContact O-N 2.97Å; M57-R61 VanDerWaalsContact O-N 3.12Å; M57-S178 WeakPolarHBondContact CE-OG 3.47Å; M57-D180 HydrophobicContact SD-CB 3.66Å; M57-I186 HydrophobicContact CG-CG2 4.36Å; M57-I186 HydrophobicContact SD-CG2 3.74Å; M57-S188 WeakPolarHBondContact CE-OG 3.48Å; M57-V203 HydrophobicContact CG-CG1 3.98Å; M57-V203 HydrophobicContact CG-CG2 3.96Å
58	R	95.8	Very high	94.8	Very high	48 Å²	48	79 Å²	79	18%	0.181	38%	0.375	C	S	.	.	H	α-helix	trans	-70	-43.3	177.6	-72.4	176.3	-173.4	162.4	6.9	112.5	V54 S55 S56 I60 R61 Y62 D180 Q182	V54-R58 WeakPolarHBondContact O-CB 3.41Å; V54-R58 VanDerWaalsContact O-CG 3.31Å; V54-R58 WeakPolarHBondContact O-CG 3.34Å; V54-R58 PolarHBondContact O-N 3.05Å; S55-R58 PolarHBondContact O-N 3.24Å; S56-R58 VanDerWaalsContact C-N 3.29Å; S56-R58 PolarHBondContact O-N 3.01Å; R58-I60 VanDerWaalsContact C-N 3.32Å; R58-I60 PolarHBondContact O-N 2.66Å; R58-R61 WeakPolarHBondContact O-CA 3.4Å; R58-R61 WeakPolarHBondContact O-CB 3.28Å; R58-R61 PolarHBondContact O-N 2.95Å; R58-Y62 HydrophobicContact CB-CD2 4.42Å; R58-Y62 HydrophobicContact CB-CE2 3.97Å; R58-Y62 WeakPolarHBondContact O-CD2 3.45Å; R58-Y62 PolarHBondContact O-N 3.24Å; R58-D180 WeakPolarHBondContact CG-OD2 3.46Å; R58-D180 IonicContact CZ-OD1 3.07Å; R58-D180 IonicContact CZ-OD2 3.24Å; R58-D180 IonicContact NE-OD1 2.85Å; R58-D180 PolarHBondContact NE-OD1 3.49Å; R58-D180 IonicContact NE-OD2 3.77Å; R58-D180 PolarHBondContact NE-OD2 3.47Å; R58-D180 IonicContact NH2-OD1 3.95Å; R58-D180 PolarHBondContact NH2-OD1 3.48Å; R58-Q182 VanDerWaalsContact CZ-CD 3.43Å; R58-Q182 VanDerWaalsContact NH2-CD 3.27Å
59	R	96.6	Very high	94.9	Very high	146 Å²	146	75.4 Å²	75.4	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-53.2	-48.4	173.5	179.4	171.6	169.8	167.5	2.7	111.4	M42 S55 S56 R61 Y62 E63	M42-R59 HydrophobicContact CE-CG 4.31Å; S55-R59 WeakPolarHBondContact O-CB 3.41Å; S55-R59 PolarHBondContact O-N 3.31Å; S56-R59 PolarHBondContact O-N 3Å; R59-R61 PolarHBondContact O-N 3.22Å; R59-Y62 PolarHBondContact O-N 3.47Å; R59-Y62 VanDerWaalsContact O-N 3.11Å; R59-E63 HydrophobicContact CG-CG 4.35Å; R59-E63 IonicContact CZ-OE1 3.76Å; R59-E63 IonicContact NE-OE1 3.23Å; R59-E63 PolarHBondContact NE-OE1 3.47Å; R59-E63 IonicContact NH2-OE1 3.54Å; R59-E63 PolarHBondContact NH2-OE1 3.08Å; R59-E63 PolarHBondContact O-N 3.13Å
60	I	97	Very high	95	Very high	0 Å²	0	80.8 Å²	80.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-41.2	175.9	-63.5	164.4	0	0	0	111.6	M42 S56 R58 Y62 F64 C201 V203	M42-I60 HydrophobicContact CB-CD1 3.77Å; M42-I60 HydrophobicContact CB-CG1 3.62Å; M42-I60 HydrophobicContact CE-CG1 4.1Å; M42-I60 HydrophobicContact SD-CG1 4.26Å; S56-I60 VanDerWaalsContact O-CG1 3.29Å; S56-I60 WeakPolarHBondContact O-CG1 3.18Å; S56-I60 PolarHBondContact O-N 3.41Å; R58-I60 VanDerWaalsContact C-N 3.32Å; R58-I60 PolarHBondContact O-N 2.66Å; I60-Y62 VanDerWaalsContact C-N 3.27Å; I60-Y62 PolarHBondContact O-N 3.29Å; I60-F64 HydrophobicContact CG2-CD2 3.93Å; I60-F64 HydrophobicContact CG2-CE2 4.12Å; I60-F64 WeakPolarHBondContact O-CB 3.44Å; I60-F64 WeakPolarHBondContact O-CD2 3.5Å; I60-F64 PolarHBondContact O-N 2.92Å; I60-C201 HydrophobicContact CD1-CB 3.73Å; I60-V203 HydrophobicContact CB-CG2 3.9Å; I60-V203 HydrophobicContact CD1-CG2 3.81Å; I60-V203 HydrophobicContact CG1-CG2 4.47Å; I60-V203 HydrophobicContact CG2-CB 4.05Å; I60-V203 HydrophobicContact CG2-CG2 3.7Å
61	R	96.3	Very high	95.3	Very high	41 Å²	41	77.6 Å²	77.6	16%	0.155	37%	0.37	C	S	.	.	H	α-helix	trans	-61.3	-34.5	175.1	-67.8	164.4	80.5	-147.7	-5.9	112.4	M57 R58 R59 K65 D180 D183 V203	M57-R61 VanDerWaalsContact O-CG 3.26Å; M57-R61 WeakPolarHBondContact O-CG 3.3Å; M57-R61 PolarHBondContact O-N 2.97Å; M57-R61 VanDerWaalsContact O-N 3.12Å; R58-R61 WeakPolarHBondContact O-CA 3.4Å; R58-R61 WeakPolarHBondContact O-CB 3.28Å; R58-R61 PolarHBondContact O-N 2.95Å; R59-R61 PolarHBondContact O-N 3.22Å; R61-K65 VanDerWaalsContact O-CB 3.29Å; R61-K65 WeakPolarHBondContact O-CB 3.41Å; R61-D180 IonicContact CZ-OD2 2.79Å; R61-D180 IonicContact NH1-OD2 2.98Å; R61-D180 PolarHBondContact NH1-OD2 2.99Å; R61-D183 IonicContact CZ-OD2 3.06Å; R61-D183 IonicContact NH2-OD2 2.69Å; R61-D183 PolarHBondContact NH2-OD2 2.96Å; R61-V203 HydrophobicContact CG-CG1 4.09Å
62	Y	96.6	Very high	95.5	Very high	132 Å²	132	75.4 Å²	75.4	52%	0.518	36%	0.356	S	S	.	.	H	α-helix	trans	-80.3	-52.8	179.7	-64.1	-54	0	0	0	112	R58 R59 I60 F64 K65 E66	R58-Y62 HydrophobicContact CB-CD2 4.42Å; R58-Y62 HydrophobicContact CB-CE2 3.97Å; R58-Y62 WeakPolarHBondContact O-CD2 3.45Å; R58-Y62 PolarHBondContact O-N 3.24Å; R59-Y62 PolarHBondContact O-N 3.47Å; R59-Y62 VanDerWaalsContact O-N 3.11Å; I60-Y62 VanDerWaalsContact C-N 3.27Å; I60-Y62 PolarHBondContact O-N 3.29Å; Y62-F64 VanDerWaalsContact C-N 3.33Å; Y62-F64 PolarHBondContact O-N 3.39Å; Y62-K65 WeakPolarHBondContact O-CA 2.84Å; Y62-K65 WeakPolarHBondContact O-CB 3.37Å; Y62-K65 PolarHBondContact O-N 3.43Å; Y62-E66 WeakPolarHBondContact O-CB 3.19Å; Y62-E66 PolarHBondContact O-N 2.66Å
63	E	96.4	Very high	95.5	Very high	33 Å²	33	76.6 Å²	76.6	15%	0.154	36%	0.36	C	S	.	.	H	α-helix	trans	-56.2	-44.5	-179.1	-73.1	-166	-148.8	0	0	112.3	R59 K65 E66 K67	R59-E63 HydrophobicContact CG-CG 4.35Å; R59-E63 IonicContact CZ-OE1 3.76Å; R59-E63 IonicContact NE-OE1 3.23Å; R59-E63 PolarHBondContact NE-OE1 3.47Å; R59-E63 IonicContact NH2-OE1 3.54Å; R59-E63 PolarHBondContact NH2-OE1 3.08Å; R59-E63 PolarHBondContact O-N 3.13Å; E63-K65 VanDerWaalsContact C-N 3.3Å; E63-K65 PolarHBondContact O-N 3.09Å; E63-E66 PolarHBondContact O-N 2.92Å; E63-K67 VanDerWaalsContact O-CB 3.27Å; E63-K67 WeakPolarHBondContact O-CB 3.29Å; E63-K67 WeakPolarHBondContact O-CD 3.22Å; E63-K67 WeakPolarHBondContact O-CG 3.39Å; E63-K67 PolarHBondContact O-N 2.7Å; E63-K67 IonicContact OE2-NZ 3.07Å; E63-K67 PolarHBondContact OE2-NZ 3.13Å
64	F	96.3	Very high	95.6	Very high	40 Å²	40	76.3 Å²	76.3	18%	0.175	36%	0.359	C	S	.	.	H	α-helix	trans	-72.8	-21.1	178.5	-79	-104.2	0	0	0	113.2	V39 G40 I60 Y62 I69	V39-F64 HydrophobicContact CG1-CB 4.44Å; V39-F64 WeakPolarHBondContact O-CD1 3.44Å; V39-F64 WeakPolarHBondContact O-CG 3.29Å; G40-F64 VanDerWaalsContact CA-CE1 3.45Å; I60-F64 HydrophobicContact CG2-CD2 3.93Å; I60-F64 HydrophobicContact CG2-CE2 4.12Å; I60-F64 WeakPolarHBondContact O-CB 3.44Å; I60-F64 WeakPolarHBondContact O-CD2 3.5Å; I60-F64 PolarHBondContact O-N 2.92Å; Y62-F64 VanDerWaalsContact C-N 3.33Å; Y62-F64 PolarHBondContact O-N 3.39Å; F64-I69 HydrophobicContact CD1-CB 4.04Å; F64-I69 HydrophobicContact CD1-CD1 3.69Å; F64-I69 HydrophobicContact CD1-CG1 4.43Å; F64-I69 HydrophobicContact CD1-CG2 4Å; F64-I69 HydrophobicContact CE1-CD1 3.92Å; F64-I69 HydrophobicContact CG-CD1 4.42Å; F64-I69 PolarHBondContact O-N 3.49Å
65	K	95.3	Very high	95.7	Very high	162 Å²	162	75.2 Å²	75.2	70%	0.704	35%	0.352	S	S	*	.	H	α-helix	trans	-77.8	-41.9	172.2	-179.4	-165.8	173.7	-162.1	0	111	R61 Y62 E63 G68	R61-K65 VanDerWaalsContact O-CB 3.29Å; R61-K65 WeakPolarHBondContact O-CB 3.41Å; Y62-K65 WeakPolarHBondContact O-CA 2.84Å; Y62-K65 WeakPolarHBondContact O-CB 3.37Å; Y62-K65 PolarHBondContact O-N 3.43Å; E63-K65 VanDerWaalsContact C-N 3.3Å; E63-K65 PolarHBondContact O-N 3.09Å; K65-G68 PolarHBondContact O-N 2.8Å
66	E	96.1	Very high	95.7	Very high	162 Å²	162	71.8 Å²	71.8	76%	0.757	33%	0.328	S	S	*	.	H	α-helix	trans	-67.6	-48	179	179.3	170.2	-135.2	0	0	111.7	Y62 E63 G68	Y62-E66 WeakPolarHBondContact O-CB 3.19Å; Y62-E66 PolarHBondContact O-N 2.66Å; E63-E66 PolarHBondContact O-N 2.92Å; E66-G68 PolarHBondContact O-N 3.26Å
67	K	96.2	Very high	95.7	Very high	128 Å²	128	73 Å²	73	56%	0.557	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	3.6	172.1	-64.9	163.8	-178.8	170.2	0	113.6	E63 I69	E63-K67 VanDerWaalsContact O-CB 3.27Å; E63-K67 WeakPolarHBondContact O-CB 3.29Å; E63-K67 WeakPolarHBondContact O-CD 3.22Å; E63-K67 WeakPolarHBondContact O-CG 3.39Å; E63-K67 PolarHBondContact O-N 2.7Å; E63-K67 IonicContact OE2-NZ 3.07Å; E63-K67 PolarHBondContact OE2-NZ 3.13Å; K67-I69 HydrophobicContact CB-CD1 3.87Å; K67-I69 HydrophobicContact CB-CG1 3.87Å; K67-I69 HydrophobicContact CD-CD1 4.47Å; K67-I69 WeakPolarHBondContact O-CG1 3.48Å; K67-I69 PolarHBondContact O-N 3.07Å; K67-I69 VanDerWaalsContact O-N 3.11Å
68	G	94.3	Very high	95.7	Very high	54 Å²	54	73 Å²	73	56%	0.557	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	11.9	177.2	0	0	0	0	0	115.5	K65 E66 K70	K65-G68 PolarHBondContact O-N 2.8Å; E66-G68 PolarHBondContact O-N 3.26Å; G68-K70 PolarHBondContact O-N 2.75Å
69	I	94.2	Very high	95.7	Very high	74 Å²	74	70.9 Å²	70.9	38%	0.379	32%	0.323	S	S	.	.			trans	-70.8	116.8	-167.6	-60	175.6	0	0	0	110	F64 K67 K71	F64-I69 HydrophobicContact CD1-CB 4.04Å; F64-I69 HydrophobicContact CD1-CD1 3.69Å; F64-I69 HydrophobicContact CD1-CG1 4.43Å; F64-I69 HydrophobicContact CD1-CG2 4Å; F64-I69 HydrophobicContact CE1-CD1 3.92Å; F64-I69 HydrophobicContact CG-CD1 4.42Å; F64-I69 PolarHBondContact O-N 3.49Å; K67-I69 HydrophobicContact CB-CD1 3.87Å; K67-I69 HydrophobicContact CB-CG1 3.87Å; K67-I69 HydrophobicContact CD-CD1 4.47Å; K67-I69 WeakPolarHBondContact O-CG1 3.48Å; K67-I69 PolarHBondContact O-N 3.07Å; K67-I69 VanDerWaalsContact O-N 3.11Å; I69-K71 PolarHBondContact O-N 2.78Å
70	K	94.4	Very high	95.6	Very high	192 Å²	192	64.5 Å²	64.5	84%	0.835	30%	0.302	S	S	*	.			trans	-71.3	115.3	-177.5	-70.9	172.9	-177.3	165.7	0	110.5	G68 Q72	G68-K70 PolarHBondContact O-N 2.75Å; K70-Q72 PolarHBondContact O-N 2.84Å
71	K	95.7	Very high	95.4	Very high	85 Å²	85	69.7 Å²	69.7	37%	0.37	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-52.7	121.4	179.7	-55.5	-169.5	177.8	-153.6	0	111.7	K37 F38 V39 I69	K37-K71 HydrophobicContact CB-CB 4.28Å; F38-K71 CarbonylContact O-C 3.57Å; F38-K71 VanDerWaalsContact O-CA 3.26Å; F38-K71 WeakPolarHBondContact O-CA 3.37Å; F38-K71 WeakPolarHBondContact O-CB 3.48Å; V39-K71 HydrophobicContact CG1-CD 4.46Å; V39-K71 HydrophobicContact CG2-CD 4.08Å; I69-K71 PolarHBondContact O-N 2.78Å
72	Q	95	Very high	95.4	Very high	82 Å²	82	67.7 Å²	67.7	38%	0.383	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.4	-173.4	-62.7	171.5	-5.6	0	0	110.2	K37 F38 K70 V74 L87	K37-Q72 CarbonylContact C-O 3.47Å; K37-Q72 WeakPolarHBondContact CA-O 3.3Å; F38-Q72 PolarHBondContact N-O 3.12Å; F38-Q72 PolarHBondContact O-N 3.33Å; K70-Q72 PolarHBondContact O-N 2.84Å; Q72-V74 PolarHBondContact O-N 2.89Å; Q72-L87 HydrophobicContact CB-CD2 4.27Å
73	K	95.1	Very high	95.4	Very high	104 Å²	104	61.5 Å²	61.5	45%	0.452	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129	170.3	-79.3	-167.3	170.9	-167.9	0	108.6	R88	K73-R88 HydrophobicContact CB-CB 4.03Å; K73-R88 PolarHBondContact O-N 2.87Å
74	V	95.6	Very high	95.5	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152	179.9	-64.3	0	0	0	0	112.1	A36 F38 Q72 I76 I85 Y86 L87 L166 F204	A36-V74 HydrophobicContact CB-CG2 4.08Å; A36-V74 PolarHBondContact N-O 3.35Å; A36-V74 PolarHBondContact O-N 3.21Å; F38-V74 HydrophobicContact CB-CG1 3.88Å; F38-V74 HydrophobicContact CB-CG2 4.2Å; Q72-V74 PolarHBondContact O-N 2.89Å; V74-I76 HydrophobicContact CG2-CG1 4.27Å; V74-I85 HydrophobicContact CB-CG2 3.89Å; V74-I85 HydrophobicContact CG1-CG2 3.88Å; V74-I85 HydrophobicContact CG2-CG2 4.25Å; V74-Y86 CarbonylContact C-O 3.52Å; V74-Y86 WeakPolarHBondContact CA-O 3.28Å; V74-Y86 WeakPolarHBondContact CB-O 3.33Å; V74-L87 HydrophobicContact CG1-CD2 4.35Å; V74-L166 HydrophobicContact CG1-CD2 4.48Å; V74-F204 HydrophobicContact CG2-CD1 4.25Å; V74-F204 HydrophobicContact CG2-CE1 4.4Å
75	L	95.3	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.4	164.6	176.6	55.9	0	0	0	107.9	H33 I85 Y86 R88 L151 M156 C159 I160	H33-L75 HydrophobicContact CB-CD1 4.05Å; L75-I85 WeakPolarHBondContact O-CA 3.37Å; L75-Y86 PolarHBondContact N-O 3.04Å; L75-Y86 PolarHBondContact O-N 3.36Å; L75-R88 HydrophobicContact CB-CG 4.08Å; L75-L151 HydrophobicContact CD2-CD2 4.4Å; L75-M156 HydrophobicContact CD1-CE 3.41Å; L75-M156 VanDerWaalsContact CD1-CE 3.41Å; L75-M156 HydrophobicContact CD2-CB 4.11Å; L75-M156 HydrophobicContact CD2-CE 4.15Å; L75-M156 HydrophobicContact CD2-CG 4.47Å; L75-M156 HydrophobicContact CG-CE 4.39Å; L75-C159 WeakPolarHBondContact CD2-SG 3.25Å; L75-I160 HydrophobicContact CD2-CD1 4.12Å; L75-I160 HydrophobicContact CD2-CG1 3.76Å
76	I	96	Very high	95.5	Very high	4 Å²	4	53 Å²	53	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.2	175	-51.9	-178.7	0	0	0	107.5	H33 F34 A36 V74 I78 V83 F84 I85 F187 F204	H33-I76 CarbonylContact C-O 3.54Å; H33-I76 WeakPolarHBondContact CA-O 3.19Å; F34-I76 PolarHBondContact N-O 2.86Å; F34-I76 PolarHBondContact O-N 2.94Å; A36-I76 HydrophobicContact CB-CD1 3.8Å; A36-I76 HydrophobicContact CB-CG1 4.31Å; V74-I76 HydrophobicContact CG2-CG1 4.27Å; I76-I78 HydrophobicContact CG2-CG1 4.14Å; I76-V83 HydrophobicContact CG2-CG1 3.74Å; I76-F84 CarbonylContact C-O 3.58Å; I76-F84 WeakPolarHBondContact CA-O 3.14Å; I76-I85 HydrophobicContact CG1-CG1 4.22Å; I76-I85 HydrophobicContact CG2-CG1 4.36Å; I76-F187 HydrophobicContact CD1-CE2 4.02Å; I76-F187 HydrophobicContact CD1-CZ 3.68Å; I76-F204 HydrophobicContact CD1-CD1 3.83Å; I76-F204 HydrophobicContact CD1-CE1 4.07Å; I76-F204 HydrophobicContact CD1-CG 4.27Å
77	K	95.6	Very high	95.3	Very high	45 Å²	45	47.8 Å²	47.8	20%	0.196	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.1	169.1	-178.2	-178.7	-173.2	175.1	0	108.4	Q30 I32 H33 V83 F84 Y86	Q30-K77 WeakPolarHBondContact O-CE 3.34Å; Q30-K77 PolarHBondContact O-NZ 2.7Å; I32-K77 WeakPolarHBondContact O-CA 3.36Å; H33-K77 WeakPolarHBondContact NE2-CD 3.39Å; K77-V83 WeakPolarHBondContact O-CA 3.47Å; K77-F84 HydrophobicContact CB-CB 4.25Å; K77-F84 PolarHBondContact N-O 3.31Å; K77-F84 PolarHBondContact O-N 2.93Å; K77-Y86 HydrophobicContact CB-CE2 4.18Å
78	I	96.5	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.6	176.2	-56.1	168.6	0	0	0	108.1	F28 G31 I32 F34 I76 V83 I215 T218 V219 A222	F28-I78 HydrophobicContact CE1-CG2 4.47Å; G31-I78 CarbonylContact C-O 3.56Å; G31-I78 VanDerWaalsContact CA-O 3.25Å; G31-I78 WeakPolarHBondContact CA-O 3.15Å; I32-I78 PolarHBondContact N-O 2.96Å; I32-I78 PolarHBondContact O-N 3.3Å; F34-I78 HydrophobicContact CD2-CD1 3.91Å; F34-I78 HydrophobicContact CE2-CD1 3.85Å; I76-I78 HydrophobicContact CG2-CG1 4.14Å; I78-V83 HydrophobicContact CG1-CG2 4.36Å; I78-V83 HydrophobicContact CG2-CG2 4.48Å; I78-I215 HydrophobicContact CD1-CG2 4.26Å; I78-T218 HydrophobicContact CB-CG2 4.25Å; I78-T218 HydrophobicContact CD1-CG2 4.02Å; I78-T218 HydrophobicContact CG2-CG2 4.1Å; I78-V219 HydrophobicContact CD1-CG2 3.61Å; I78-V219 HydrophobicContact CG1-CG2 4.23Å; I78-V219 HydrophobicContact CG2-CG2 4.41Å; I78-A222 HydrophobicContact CG2-CB 3.88Å
79	S	95.8	Very high	94.1	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.021	22%	0.222	C	C	.	.			trans	-143.4	173.4	-175.3	59.7	0	0	0	0	110.2	F28 D81 G82 F84 I171	F28-S79 WeakPolarHBondContact O-CA 3.37Å; F28-S79 WeakPolarHBondContact O-CB 3.29Å; S79-D81 PolarHBondContact O-N 3.1Å; S79-D81 PolarHBondContact OG-N 2.95Å; S79-G82 PolarHBondContact N-O 3.25Å; S79-G82 PolarHBondContact OG-N 2.9Å; S79-G82 VanDerWaalsContact OG-N 3.13Å; S79-G82 PolarHBondContact OG-O 2.89Å; S79-F84 WeakPolarHBondContact OG-CE2 3.34Å; S79-I171 WeakPolarHBondContact O-CG1 3.5Å
80	A	93.1	Very high	92.5	Very high	13 Å²	13	52.8 Å²	52.8	11%	0.107	24%	0.24	C	C	.	.	S	Bend	trans	-62	-30.9	171.5	0	0	0	0	0	112.7	F28 I171 V225 C226 I229	F28-A80 HydrophobicContact CB-CB 4.31Å; F28-A80 PolarHBondContact O-N 2.9Å; A80-I171 WeakPolarHBondContact O-CG1 3.31Å; A80-V225 HydrophobicContact CB-CG1 3.95Å; A80-C226 PolarHBondContact O-SG 3.37Å; A80-I229 HydrophobicContact CB-CD1 3.87Å
81	D	94.1	Very high	90.5	Very high	108 Å²	108	48.8 Å²	48.8	58%	0.578	23%	0.234	S	C	*	.	S	Bend	trans	-76	-43	179.8	-58.6	-50.4	0	0	0	112.5	S79 P170 I171	S79-D81 PolarHBondContact O-N 3.1Å; S79-D81 PolarHBondContact OG-N 2.95Å; D81-P170 WeakPolarHBondContact O-CA 3.49Å; D81-I171 PolarHBondContact O-N 3.23Å; D81-I171 VanDerWaalsContact O-N 3.09Å
82	G	95.9	Very high	87.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-176.7	-176.5	0	0	0	0	0	116.3	S79 H169	S79-G82 PolarHBondContact N-O 3.25Å; S79-G82 PolarHBondContact OG-N 2.9Å; S79-G82 VanDerWaalsContact OG-N 3.13Å; S79-G82 PolarHBondContact OG-O 2.89Å; G82-H169 VanDerWaalsContact CA-O 3.3Å; G82-H169 WeakPolarHBondContact CA-O 3.43Å
83	V	97.3	Very high	85.5	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.9	170.8	179.4	0	0	0	0	108.6	I76 K77 I78 I85 Y168 H169 I171 I174 Y189 V219	I76-V83 HydrophobicContact CG2-CG1 3.74Å; K77-V83 WeakPolarHBondContact O-CA 3.47Å; I78-V83 HydrophobicContact CG1-CG2 4.36Å; I78-V83 HydrophobicContact CG2-CG2 4.48Å; V83-I85 HydrophobicContact CG1-CD1 4.41Å; V83-I85 HydrophobicContact CG1-CG1 4.46Å; V83-Y168 WeakPolarHBondContact O-CA 3.2Å; V83-H169 PolarHBondContact N-O 2.98Å; V83-H169 PolarHBondContact O-N 3.2Å; V83-I171 HydrophobicContact CG2-CD1 4.08Å; V83-I174 HydrophobicContact CB-CD1 4.02Å; V83-I174 HydrophobicContact CG2-CD1 3.51Å; V83-Y189 HydrophobicContact CG1-CE1 4.34Å; V83-V219 HydrophobicContact CG2-CG2 4.32Å
84	F	96.9	Very high	82.9	Confident	40 Å²	40	57.8 Å²	57.8	18%	0.175	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.5	176	-54.3	-106.7	0	0	0	109.6	I76 K77 S79 Y86 L165 Y168	I76-F84 CarbonylContact C-O 3.58Å; I76-F84 WeakPolarHBondContact CA-O 3.14Å; K77-F84 HydrophobicContact CB-CB 4.25Å; K77-F84 PolarHBondContact N-O 3.31Å; K77-F84 PolarHBondContact O-N 2.93Å; S79-F84 WeakPolarHBondContact OG-CE2 3.34Å; F84-Y86 HydrophobicContact CB-CD2 4.41Å; F84-Y86 HydrophobicContact CB-CE2 3.59Å; F84-Y86 HydrophobicContact CG-CE2 4.48Å; F84-L165 HydrophobicContact CB-CD1 3.98Å; F84-L165 HydrophobicContact CD1-CD1 4.16Å; F84-Y168 AromaticContact CD1-CD2 3.4Å; F84-Y168 HydrophobicContact CD1-CD2 3.4Å; F84-Y168 HydrophobicContact CD1-CE2 4Å; F84-Y168 HydrophobicContact CD1-CG 4.1Å; F84-Y168 HydrophobicContact CD2-CD2 4.08Å; F84-Y168 HydrophobicContact CD2-CE2 4.22Å; F84-Y168 AromaticContact CE1-CD2 3.38Å; F84-Y168 HydrophobicContact CE1-CD2 3.38Å; F84-Y168 AromaticContact CE1-CE2 3.52Å; F84-Y168 HydrophobicContact CE1-CE2 3.52Å; F84-Y168 HydrophobicContact CE1-CG 4.13Å; F84-Y168 HydrophobicContact CE2-CD2 4.06Å; F84-Y168 AromaticContact CE2-CE2 3.77Å; F84-Y168 HydrophobicContact CE2-CE2 3.77Å; F84-Y168 AromaticContact CG-CD2 3.76Å; F84-Y168 HydrophobicContact CG-CD2 3.76Å; F84-Y168 HydrophobicContact CG-CE2 4.33Å; F84-Y168 AromaticContact CZ-CD2 3.72Å; F84-Y168 HydrophobicContact CZ-CD2 3.72Å; F84-Y168 AromaticContact CZ-CE2 3.39Å; F84-Y168 HydrophobicContact CZ-CE2 3.39Å
85	I	96.4	Very high	80.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	112.9	-179.5	-65.9	140.1	0	0	0	109.1	V74 L75 I76 V83 L166 L167 Y189 F204	V74-I85 HydrophobicContact CB-CG2 3.89Å; V74-I85 HydrophobicContact CG1-CG2 3.88Å; V74-I85 HydrophobicContact CG2-CG2 4.25Å; L75-I85 WeakPolarHBondContact O-CA 3.37Å; I76-I85 HydrophobicContact CG1-CG1 4.22Å; I76-I85 HydrophobicContact CG2-CG1 4.36Å; V83-I85 HydrophobicContact CG1-CD1 4.41Å; V83-I85 HydrophobicContact CG1-CG1 4.46Å; I85-L166 HydrophobicContact CG2-CB 4.27Å; I85-L166 HydrophobicContact CG2-CD2 4.16Å; I85-L166 WeakPolarHBondContact O-CB 3.37Å; I85-L166 PolarHBondContact O-N 3.35Å; I85-L167 HydrophobicContact CB-CB 4.26Å; I85-L167 HydrophobicContact CD1-CB 3.74Å; I85-L167 HydrophobicContact CD1-CD1 4.1Å; I85-L167 PolarHBondContact N-O 3.05Å; I85-Y189 HydrophobicContact CD1-CE1 3.96Å; I85-Y189 WeakPolarHBondContact CD1-OH 3.17Å; I85-F204 HydrophobicContact CD1-CE1 4.07Å; I85-F204 HydrophobicContact CD1-CZ 3.6Å; I85-F204 HydrophobicContact CG1-CE1 4.19Å; I85-F204 HydrophobicContact CG1-CZ 4.21Å; I85-F204 HydrophobicContact CG2-CE1 4.27Å
86	Y	95.6	Very high	77.6	Confident	17 Å²	17	72.7 Å²	72.7	7%	0.067	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	141.9	-179.6	-55.3	-89.7	0	0	0	111.6	V74 L75 K77 F84 R88 C159 I160 N164 L165	V74-Y86 CarbonylContact C-O 3.52Å; V74-Y86 WeakPolarHBondContact CA-O 3.28Å; V74-Y86 WeakPolarHBondContact CB-O 3.33Å; L75-Y86 PolarHBondContact N-O 3.04Å; L75-Y86 PolarHBondContact O-N 3.36Å; K77-Y86 HydrophobicContact CB-CE2 4.18Å; F84-Y86 HydrophobicContact CB-CD2 4.41Å; F84-Y86 HydrophobicContact CB-CE2 3.59Å; F84-Y86 HydrophobicContact CG-CE2 4.48Å; Y86-R88 PolarHBondContact O-N 3.12Å; Y86-C159 WeakPolarHBondContact CB-O 3.41Å; Y86-C159 WeakPolarHBondContact CD1-O 3.44Å; Y86-I160 HydrophobicContact CE1-CG2 4.3Å; Y86-I160 HydrophobicContact CE2-CG2 4.19Å; Y86-N164 CarbonylContact C-O 3.53Å; Y86-N164 WeakPolarHBondContact CA-O 3.36Å; Y86-L165 HydrophobicContact CD1-CB 4.19Å; Y86-L165 HydrophobicContact CD1-CD1 4.13Å; Y86-L165 HydrophobicContact CE1-CB 4.16Å; Y86-L165 HydrophobicContact CE1-CD1 3.84Å
87	L	93.1	Very high	74.7	Confident	52 Å²	52	81.5 Å²	81.5	27%	0.272	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	113.8	174.5	-72.5	172.6	0	0	0	111.3	Q72 V74 K89 N164 L166	Q72-L87 HydrophobicContact CB-CD2 4.27Å; V74-L87 HydrophobicContact CG1-CD2 4.35Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.21Å; L87-N164 PolarHBondContact N-O 2.88Å; L87-L166 HydrophobicContact CD1-CD1 4.25Å; L87-L166 HydrophobicContact CD2-CD1 4.22Å; L87-L166 HydrophobicContact CD2-CD2 4.27Å; L87-L166 HydrophobicContact CG-CB 4.27Å; L87-L166 HydrophobicContact CG-CD1 4.3Å
88	R	87.9	Confident	72	Confident	48 Å²	48	85.2 Å²	85.2	18%	0.181	42%	0.416	C	S	.	.			trans	-76.7	87.3	166.8	-71.3	-164	71	179	1.3	109.2	C35 K73 L75 Y86 K90 D153 S155 M156	C35-R88 PolarHBondContact SG-NH1 3.03Å; K73-R88 HydrophobicContact CB-CB 4.03Å; K73-R88 PolarHBondContact O-N 2.87Å; L75-R88 HydrophobicContact CB-CG 4.08Å; Y86-R88 PolarHBondContact O-N 3.12Å; R88-K90 PolarHBondContact O-N 3.46Å; R88-D153 IonicContact CZ-OD2 3.29Å; R88-D153 VanDerWaalsContact CZ-OD2 3.23Å; R88-D153 IonicContact NH1-OD2 3.99Å; R88-D153 PolarHBondContact NH1-OD2 3.15Å; R88-D153 IonicContact NH2-OD2 2.73Å; R88-D153 PolarHBondContact NH2-OD2 3.12Å; R88-S155 PolarHBondContact NH2-OG 3.07Å; R88-M156 PolarHBondContact NH1-SD 3.3Å
89	K	75.7	Confident	69.2	Low	141 Å²	141	91 Å²	91	61%	0.613	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-50.1	134.9	166	-73.3	166.2	176.5	158.6	0	108.8	L87 N164	L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.21Å; K89-N164 WeakPolarHBondContact CE-OD1 3.31Å; K89-N164 PolarHBondContact NZ-OD1 2.86Å
90	K	62.2	Low	66.5	Low	171 Å²	171	95.4 Å²	95.4	74%	0.743	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-72.3	138.7	167.2	-69	-174.8	179.2	-175.8	0	108	R88 K92	R88-K90 PolarHBondContact O-N 3.46Å; K90-K92 PolarHBondContact O-N 3.39Å
91	P	51.1	Low	64	Low	109 Å²	109	106.1 Å²	106.1	71%	0.708	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-57.1	127.6	161.2	25.6	-32.5	0	0	0	108.3	F93	P91-F93 PolarHBondContact O-N 3.35Å
92	K	42.5	Very low	61.5	Low	210 Å²	210	106.7 Å²	106.7	91%	0.913	53%	0.527	S	S	*	.			trans	-74.1	95.3	171.4	-73.3	-175.1	179	-179.2	0	107	K90 G94	K90-K92 PolarHBondContact O-N 3.39Å; K92-G94 PolarHBondContact O-N 3.02Å
93	F	43.4	Very low	58.4	Low	174 Å²	174	116.6 Å²	116.6	76%	0.763	57%	0.571	S	S	*	*			trans	-75.5	71	-175	-141.7	-120.6	0	0	0	111.2	P91 I95	P91-F93 PolarHBondContact O-N 3.35Å; F93-I95 HydrophobicContact CD1-CD1 3.54Å; F93-I95 HydrophobicContact CD1-CG1 3.48Å; F93-I95 VanDerWaalsContact CD1-CG1 3.48Å; F93-I95 HydrophobicContact CE1-CD1 3.46Å; F93-I95 VanDerWaalsContact CE1-CD1 3.46Å; F93-I95 HydrophobicContact CE1-CG1 3.69Å; F93-I95 HydrophobicContact CG-CG1 4.27Å; F93-I95 PolarHBondContact O-N 3.41Å
94	G	41.4	Very low	55.8	Low	76 Å²	76	124.4 Å²	124.4	78%	0.784	61%	0.611	S	S	*	*			trans	-78	63.6	179.3	0	0	0	0	0	112	K92 R96	K92-G94 PolarHBondContact O-N 3.02Å; G94-R96 PolarHBondContact O-N 3Å
95	I	45.3	Very low	52.7	Low	77 Å²	77	127.5 Å²	127.5	40%	0.395	64%	0.637	S	S	.	*			trans	-71.4	100	175.1	-30.2	171.8	0	0	0	109.4	F93 W97	F93-I95 HydrophobicContact CD1-CD1 3.54Å; F93-I95 HydrophobicContact CD1-CG1 3.48Å; F93-I95 VanDerWaalsContact CD1-CG1 3.48Å; F93-I95 HydrophobicContact CE1-CD1 3.46Å; F93-I95 VanDerWaalsContact CE1-CD1 3.46Å; F93-I95 HydrophobicContact CE1-CG1 3.69Å; F93-I95 HydrophobicContact CG-CG1 4.27Å; F93-I95 PolarHBondContact O-N 3.41Å; I95-W97 HydrophobicContact CB-CD2 4.5Å; I95-W97 HydrophobicContact CB-CG 4.49Å; I95-W97 HydrophobicContact CD1-CH2 4.16Å; I95-W97 HydrophobicContact CD1-CZ2 3.44Å; I95-W97 VanDerWaalsContact CD1-CZ2 3.44Å; I95-W97 HydrophobicContact CG2-CD2 3.67Å; I95-W97 HydrophobicContact CG2-CE3 4.18Å; I95-W97 HydrophobicContact CG2-CG 3.82Å; I95-W97 HydrophobicContact CG2-CZ2 4.36Å; I95-W97 PolarHBondContact O-N 2.84Å
96	R	33.9	Very low	49.7	Very low	236 Å²	236	132.4 Å²	132.4	89%	0.891	67%	0.672	S	S	*	*			trans	-78.7	93.9	150.1	175.6	-178.3	165.6	-159.6	-4.1	106.4	G94 P98	G94-R96 PolarHBondContact O-N 3Å; R96-P98 WeakPolarHBondContact O-CD 3.38Å
97	W	34.9	Very low	46.8	Very low	189 Å²	189	136.3 Å²	136.3	72%	0.716	70%	0.702	S	S	*	*			trans	-59.8	124	177	-65.2	93	0	0	0	109.8	I95 V99	I95-W97 HydrophobicContact CB-CD2 4.5Å; I95-W97 HydrophobicContact CB-CG 4.49Å; I95-W97 HydrophobicContact CD1-CH2 4.16Å; I95-W97 HydrophobicContact CD1-CZ2 3.44Å; I95-W97 VanDerWaalsContact CD1-CZ2 3.44Å; I95-W97 HydrophobicContact CG2-CD2 3.67Å; I95-W97 HydrophobicContact CG2-CE3 4.18Å; I95-W97 HydrophobicContact CG2-CG 3.82Å; I95-W97 HydrophobicContact CG2-CZ2 4.36Å; I95-W97 PolarHBondContact O-N 2.84Å; W97-V99 VanDerWaalsContact C-N 3.35Å; W97-V99 PolarHBondContact O-N 2.82Å
98	P	39	Very low	44.3	Very low	123 Å²	123	143 Å²	143	80%	0.799	73%	0.731	S	S	*	*			trans	-75.1	89.9	172.8	30.4	-32.7	0	0	0	109.3	R96	R96-P98 WeakPolarHBondContact O-CD 3.38Å
99	V	37.6	Very low	42	Very low	122 Å²	122	148.2 Å²	148.2	74%	0.739	76%	0.763	S	S	*	*			trans	-72.1	137.9	168.8	-177.5	0	0	0	0	108.7	W97	W97-V99 VanDerWaalsContact C-N 3.35Å; W97-V99 PolarHBondContact O-N 2.82Å
100	S	39.6	Very low	40.4	Very low	95 Å²	95	147.2 Å²	147.2	66%	0.664	77%	0.771	S	S	*	*			trans	66.4	99.1	174.3	-58.7	0	0	0	0	117.9
101	R	40.7	Very low	39.1	Very low	238 Å²	238	142.4 Å²	142.4	90%	0.898	77%	0.769	S	S	*	*				-154.8	141.4	101.8	-119.3	160.4	-77.1	-144.5	1.4	115
102	T	40.6	Very low	38.2	Very low	121 Å²	121	145.2 Å²	145.2	74%	0.742	78%	0.779	S	S	*	*			trans	-49.5	149.6	-178.9	42.2	0	0	0	0	116.7
103	F	32.4	Very low	37.8	Very low	208 Å²	208	146.3 Å²	146.3	91%	0.912	78%	0.777	S	S	*	*			trans	-52.3	136.2	155.1	-67.1	-102.3	0	0	0	111.1
104	I	42.2	Very low	37.3	Very low	165 Å²	165	143.5 Å²	143.5	85%	0.846	77%	0.774	S	S	*	*			trans	-141	149	143.6	-96.4	160	0	0	0	106
105	S	30.5	Very low	36.8	Very low	105 Å²	105	149.3 Å²	149.3	73%	0.734	78%	0.778	S	S	*	*			trans	-95.3	172.8	-173.4	-165.6	0	0	0	0	112.6
106	S	33.9	Very low	36.1	Very low	104 Å²	104	150.4 Å²	150.4	73%	0.727	79%	0.792	S	S	*	*			trans	73.8	125.9	156.4	70.1	0	0	0	0	120.2
107	S	34.9	Very low	36	Very low	99 Å²	99	147 Å²	147	69%	0.692	79%	0.786	S	S	*	*				58.4	94.9	127.4	179.8	0	0	0	0	119.4
108	Q	41.7	Very low	35.9	Very low	192 Å²	192	146.3 Å²	146.3	90%	0.897	80%	0.795	S	S	*	*				-161.8	165.5	103.7	-102.7	157.3	18.5	0	0	111.7
109	N	39.7	Very low	35.4	Very low	157 Å²	157	147.6 Å²	147.6	84%	0.84	79%	0.794	S	S	*	*			trans	-102.7	-177.3	-166.2	-131.3	1.8	0	0	0	111.8
110	P	40.1	Very low	35	Very low	121 Å²	121	148 Å²	148	79%	0.786	80%	0.797	S	S	*	*				-104.5	168.9	-128.2	40.6	-31.7	0	0	0	114.6
111	G	35.5	Very low	34.8	Very low	69 Å²	69	149 Å²	149	71%	0.711	80%	0.799	S	S	*	*			trans	-145.7	135	171.5	0	0	0	0	0	112	R113	G111-R113 PolarHBondContact O-N 2.83Å
112	N	32.2	Very low	34.5	Very low	169 Å²	169	144.8 Å²	144.8	90%	0.904	80%	0.795	S	S	*	*			trans	-60.6	123.2	-175	-65.6	-16.5	0	0	0	112.4
113	R	35.2	Very low	34.2	Very low	233 Å²	233	145.1 Å²	145.1	88%	0.879	80%	0.797	S	S	*	*			trans	-137.9	114.6	152.5	-75.2	-159	177.9	-142.1	-2.4	112.2	G111	G111-R113 PolarHBondContact O-N 2.83Å
114	V	31.2	Very low	34.4	Very low	114 Å²	114	141 Å²	141	69%	0.691	79%	0.789	S	S	*	*			trans	-37.3	137.1	163.5	176.4	0	0	0	0	112.5	S116	V114-S116 VanDerWaalsContact CG1-OG 3.29Å; V114-S116 WeakPolarHBondContact CG1-OG 3.41Å
115	F	32.2	Very low	33.9	Very low	199 Å²	199	138.6 Å²	138.6	87%	0.873	79%	0.786	S	S	*	*			trans	-136.7	69.3	160	-95.6	-73.9	0	0	0	110.4
116	S	29.9	Very low	34.2	Very low	99 Å²	99	139.8 Å²	139.8	69%	0.692	79%	0.789	S	S	*	*			trans	-121.5	50	172.1	60.4	0	0	0	0	110.5	V114	V114-S116 VanDerWaalsContact CG1-OG 3.29Å; V114-S116 WeakPolarHBondContact CG1-OG 3.41Å
117	E	31.1	Very low	34.1	Very low	165 Å²	165	143.3 Å²	143.3	77%	0.771	79%	0.791	S	S	*	*			trans	-161.5	111.9	-179.9	-123	168.7	-143.1	0	0	111.6
118	I	34.4	Very low	34.2	Very low	175 Å²	175	146.2 Å²	146.2	90%	0.897	80%	0.799	S	S	*	*				-147.7	87	129.2	-55.5	-170.2	0	0	0	106.4
119	L	27.6	Very low	33.9	Very low	150 Å²	150	141.4 Å²	141.4	79%	0.785	79%	0.787	S	S	*	*			trans	-142.8	153.2	168.2	-112.6	174.9	0	0	0	107.9
120	T	29.4	Very low	33.6	Very low	129 Å²	129	141.7 Å²	141.7	79%	0.791	79%	0.788	S	S	*	*			trans	65.1	155.2	-166.4	78.1	0	0	0	0	112.8
121	T	35	Very low	33.2	Very low	116 Å²	116	139.4 Å²	139.4	71%	0.712	79%	0.787	S	S	*	*			cis	-108.8	179.8	12.6	64.3	0	0	0	0	111.2
122	D	34.8	Very low	33.1	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	79%	0.792	S	S	*	*			cis	-127.1	171.2	19.5	-67.5	-51.2	0	0	0	114.6
123	T	33.4	Very low	33	Very low	127 Å²	127	142.2 Å²	142.2	78%	0.779	79%	0.789	S	S	*	*			trans	-94.2	158.6	-168.1	53.5	0	0	0	0	113.2
124	T	37.9	Very low	33	Very low	123 Å²	123	133.8 Å²	133.8	76%	0.755	78%	0.775	S	S	*	*				-168.1	133.3	76.7	30.8	0	0	0	0	109.6
125	S	30.6	Very low	33	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	78%	0.783	S	S	*	*				59.8	129.1	95.3	-143.2	0	0	0	0	113.9
126	V	37.8	Very low	33.1	Very low	130 Å²	130	138 Å²	138	79%	0.788	78%	0.781	S	S	*	*			cis	-132.5	168.4	29.1	175.6	0	0	0	0	112.3
127	K	32.6	Very low	33.3	Very low	179 Å²	179	139.8 Å²	139.8	78%	0.778	78%	0.783	S	S	*	*			trans	-63.6	155.6	179	-46.9	169.3	-179.6	175.5	0	114.5
128	D	36.2	Very low	33.3	Very low	159 Å²	159	136.2 Å²	136.2	85%	0.85	78%	0.782	S	S	*	*				-170.5	169.3	94.1	-93.9	-22	0	0	0	111.9
129	S	34.8	Very low	33.3	Very low	92 Å²	92	135.7 Å²	135.7	64%	0.643	78%	0.78	S	S	*	*			trans	-114.4	139.9	-158	55.4	0	0	0	0	115.2
130	N	34.7	Very low	33.4	Very low	162 Å²	162	133.2 Å²	133.2	87%	0.866	77%	0.774	S	S	*	*				167.9	132.4	118.5	-84.9	-25.9	0	0	0	114.2
131	G	30.5	Very low	33.7	Very low	73 Å²	73	131.4 Å²	131.4	75%	0.753	77%	0.773	S	S	*	*			trans	97.7	147.3	140.5	0	0	0	0	0	120.6
132	I	33.1	Very low	33.8	Very low	161 Å²	161	132.3 Å²	132.3	83%	0.826	78%	0.778	S	S	*	*			trans	77.2	88.4	152.1	-52.4	-179.4	0	0	0	117.5
133	T	31.5	Very low	33.7	Very low	137 Å²	137	128 Å²	128	84%	0.84	77%	0.77	S	S	*	*			trans	34.5	117	136.3	60.8	0	0	0	0	119.9
134	G	33.7	Very low	34.2	Very low	56 Å²	56	127 Å²	127	58%	0.577	77%	0.768	S	S	*	*			trans	-162.8	86.6	163.7	0	0	0	0	0	110.5	Y136	G134-Y136 WeakPolarHBondContact O-CD1 3.36Å; G134-Y136 WeakPolarHBondContact O-CE1 3.45Å; G134-Y136 PolarHBondContact O-N 2.87Å
135	E	31.1	Very low	34.3	Very low	184 Å²	184	124.9 Å²	124.9	86%	0.86	77%	0.77	S	S	*	*			trans	-78.8	105.3	-174.5	-168.2	168.2	-120.4	0	0	110.6
136	Y	35.8	Very low	35	Very low	216 Å²	216	123.1 Å²	123.1	85%	0.847	75%	0.752	S	S	*	*			trans	-113	62.7	178.5	47.4	-96.8	0	0	0	111.4	G134 A138	G134-Y136 WeakPolarHBondContact O-CD1 3.36Å; G134-Y136 WeakPolarHBondContact O-CE1 3.45Å; G134-Y136 PolarHBondContact O-N 2.87Å; Y136-A138 PolarHBondContact O-N 2.98Å; Y136-A138 VanDerWaalsContact O-N 3.08Å
137	D	32.7	Very low	35.1	Very low	137 Å²	137	122.5 Å²	122.5	73%	0.733	74%	0.743	S	S	*	*			trans	-57.9	115.2	-173.2	-106	8.3	0	0	0	113.4	I139	D137-I139 PolarHBondContact O-N 2.78Å; D137-I139 VanDerWaalsContact O-N 3.12Å
138	A	32	Very low	35.5	Very low	90 Å²	90	116.9 Å²	116.9	74%	0.744	74%	0.737	S	S	*	*			trans	-73.6	101.5	172.7	0	0	0	0	0	108.6	Y136 S140	Y136-A138 PolarHBondContact O-N 2.98Å; Y136-A138 VanDerWaalsContact O-N 3.08Å; A138-S140 PolarHBondContact O-N 3.43Å
139	I	34.5	Very low	36.3	Very low	165 Å²	165	111.1 Å²	111.1	85%	0.846	71%	0.706	S	S	*	*			trans	-65.6	80.3	-179.8	-52	179.2	0	0	0	110.5	D137 A141	D137-I139 PolarHBondContact O-N 2.78Å; D137-I139 VanDerWaalsContact O-N 3.12Å; I139-A141 PolarHBondContact O-N 2.99Å; I139-A141 VanDerWaalsContact O-N 3.15Å
140	S	30.1	Very low	37	Very low	97 Å²	97	109.7 Å²	109.7	68%	0.678	71%	0.705	S	S	*	*			trans	-88	78.2	-173.8	-178.5	0	0	0	0	111.5	A138 T142	A138-S140 PolarHBondContact O-N 3.43Å; S140-T142 PolarHBondContact O-N 3.17Å; S140-T142 VanDerWaalsContact O-N 3.08Å
141	A	36.1	Very low	38.3	Very low	91 Å²	91	102.2 Å²	102.2	75%	0.752	67%	0.665	S	S	*	*			trans	45.3	48.8	151.8	0	0	0	0	0	117.5	I139 G143	I139-A141 PolarHBondContact O-N 2.99Å; I139-A141 VanDerWaalsContact O-N 3.15Å; A141-G143 VanDerWaalsContact C-N 3.32Å; A141-G143 PolarHBondContact O-N 3.22Å
142	T	35.9	Very low	39.6	Very low	135 Å²	135	107.3 Å²	107.3	83%	0.828	66%	0.661	S	S	*	*			trans	-75	74.9	177.4	36.9	0	0	0	0	113.7	S140 S144	S140-T142 PolarHBondContact O-N 3.17Å; S140-T142 VanDerWaalsContact O-N 3.08Å; T142-S144 PolarHBondContact O-N 3.36Å
143	G	33.5	Very low	40.9	Very low	61 Å²	61	102.9 Å²	102.9	63%	0.629	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.5	-84.3	150.8	0	0	0	0	0	117.9	A141	A141-G143 VanDerWaalsContact C-N 3.32Å; A141-G143 PolarHBondContact O-N 3.22Å
144	S	43	Very low	42.5	Very low	106 Å²	106	101.5 Å²	101.5	74%	0.741	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-34.1	-147	-55.5	0	0	0	0	115.9	T142 L146	T142-S144 PolarHBondContact O-N 3.36Å; S144-L146 PolarHBondContact O-N 2.9Å
145	G	39.5	Very low	44.1	Very low	78 Å²	78	101.7 Å²	101.7	80%	0.804	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-7.1	-170.6	0	0	0	0	0	116.1
146	L	45.5	Very low	45.8	Very low	77 Å²	77	93.6 Å²	93.6	40%	0.403	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.7	-15.6	-160.9	-157.5	53.3	0	0	0	114.2	S144 G148 L149 L157	S144-L146 PolarHBondContact O-N 2.9Å; L146-G148 VanDerWaalsContact C-N 3.33Å; L146-G148 PolarHBondContact O-N 2.99Å; L146-L149 HydrophobicContact CD1-CD1 3.65Å; L146-L149 HydrophobicContact CD1-CG 4.36Å; L146-L149 PolarHBondContact O-N 2.74Å; L146-L157 HydrophobicContact CD1-CD2 4.36Å; L146-L157 HydrophobicContact CD2-CD1 3.53Å; L146-L157 HydrophobicContact CD2-CD2 3.83Å; L146-L157 HydrophobicContact CD2-CG 4.25Å; L146-L157 HydrophobicContact CG-CD1 4.12Å; L146-L157 HydrophobicContact CG-CD2 3.87Å
147	L	39.4	Very low	47.4	Very low	116 Å²	116	85.8 Å²	85.8	61%	0.607	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-67.6	-31.9	177.8	-66.3	171.4	0	0	0	112.4	L149 G150	L147-L149 PolarHBondContact O-N 2.88Å; L147-G150 PolarHBondContact O-N 3.5Å; L147-G150 VanDerWaalsContact O-N 3.17Å
148	G	41.3	Very low	49.1	Very low	62 Å²	62	85.2 Å²	85.2	64%	0.639	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-60.5	-14.4	178.7	0	0	0	0	0	115.1	L146 G150	L146-G148 VanDerWaalsContact C-N 3.33Å; L146-G148 PolarHBondContact O-N 2.99Å; G148-G150 PolarHBondContact O-N 3.18Å
149	L	53.4	Low	51.3	Low	38 Å²	38	81.2 Å²	81.2	20%	0.199	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-78.6	6.1	176.2	-54	-170.8	0	0	0	114	Q30 L146 L147 L151	Q30-L149 HydrophobicContact CB-CD2 3.54Å; Q30-L149 HydrophobicContact CG-CD2 4.23Å; L146-L149 HydrophobicContact CD1-CD1 3.65Å; L146-L149 HydrophobicContact CD1-CG 4.36Å; L146-L149 PolarHBondContact O-N 2.74Å; L147-L149 PolarHBondContact O-N 2.88Å; L149-L151 HydrophobicContact CB-CB 4.38Å; L149-L151 HydrophobicContact CB-CD1 3.66Å; L149-L151 HydrophobicContact CB-CG 4.32Å; L149-L151 HydrophobicContact CD1-CD1 3.98Å; L149-L151 HydrophobicContact CG-CD1 4.47Å; L149-L151 PolarHBondContact O-N 3.43Å
150	G	50.3	Low	53.6	Low	61 Å²	61	75.9 Å²	75.9	63%	0.629	50%	0.495	S	S	*	.	S	Bend	trans	71	13.4	-174.9	0	0	0	0	0	113.8	L147 G148 R152	L147-G150 PolarHBondContact O-N 3.5Å; L147-G150 VanDerWaalsContact O-N 3.17Å; G148-G150 PolarHBondContact O-N 3.18Å; G150-R152 PolarHBondContact O-N 3Å; G150-R152 VanDerWaalsContact O-N 3.13Å
151	L	61.7	Low	56.2	Low	6 Å²	6	76.5 Å²	76.5	3%	0.031	49%	0.487	C	S	.	.			trans	-87.7	68.8	-172.9	-91.7	154.2	0	0	0	111.2	H33 L75 L149 D153 M156 L157 I160	H33-L151 HydrophobicContact CB-CD1 4.2Å; H33-L151 HydrophobicContact CB-CG 4.19Å; L75-L151 HydrophobicContact CD2-CD2 4.4Å; L149-L151 HydrophobicContact CB-CB 4.38Å; L149-L151 HydrophobicContact CB-CD1 3.66Å; L149-L151 HydrophobicContact CB-CG 4.32Å; L149-L151 HydrophobicContact CD1-CD1 3.98Å; L149-L151 HydrophobicContact CG-CD1 4.47Å; L149-L151 PolarHBondContact O-N 3.43Å; L151-D153 VanDerWaalsContact C-N 3.26Å; L151-D153 PolarHBondContact O-N 3.42Å; L151-M156 HydrophobicContact CD2-CB 3.23Å; L151-M156 HydrophobicContact CD2-CE 3.32Å; L151-M156 HydrophobicContact CD2-CG 4.2Å; L151-M156 HydrophobicContact CD2-SD 4.22Å; L151-M156 HydrophobicContact CG-CE 4.23Å; L151-L157 HydrophobicContact CB-CD2 4.24Å; L151-L157 HydrophobicContact CD1-CD2 3.85Å; L151-L157 HydrophobicContact CD2-CD2 4.17Å; L151-L157 HydrophobicContact CG-CD2 4.32Å; L151-I160 HydrophobicContact CD1-CD1 4.05Å
152	R	58.2	Low	58.5	Low	179 Å²	179	78.7 Å²	78.7	68%	0.675	48%	0.481	S	S	*	.			trans	-59.1	-31.2	179.3	-64.6	-178.2	174.8	-151.6	-5.5	114.4	G150 E394	G150-R152 PolarHBondContact O-N 3Å; G150-R152 VanDerWaalsContact O-N 3.13Å; R152-E394 IonicContact CZ-OE1 3.38Å; R152-E394 IonicContact NH1-OE1 2.72Å; R152-E394 PolarHBondContact NH1-OE1 3.36Å; R152-E394 IonicContact NH2-OE1 3.07Å; R152-E394 PolarHBondContact NH2-OE1 2.9Å
153	D	60.3	Low	61	Low	68 Å²	68	76.3 Å²	76.3	36%	0.364	47%	0.471	S	S	.	.			trans	-88.9	113.1	175.8	-64.1	-12.8	0	0	0	109.2	R88 L151 S155 M156	R88-D153 IonicContact CZ-OD2 3.29Å; R88-D153 VanDerWaalsContact CZ-OD2 3.23Å; R88-D153 IonicContact NH1-OD2 3.99Å; R88-D153 PolarHBondContact NH1-OD2 3.15Å; R88-D153 IonicContact NH2-OD2 2.73Å; R88-D153 PolarHBondContact NH2-OD2 3.12Å; L151-D153 VanDerWaalsContact C-N 3.26Å; L151-D153 PolarHBondContact O-N 3.42Å; D153-S155 PolarHBondContact O-N 3.34Å; D153-M156 HydrophobicContact CB-CB 4.16Å; D153-M156 HydrophobicContact CB-CG 3.75Å; D153-M156 HydrophobicContact CB-SD 3.79Å; D153-M156 WeakPolarHBondContact O-CB 3.48Å; D153-M156 PolarHBondContact O-N 3.01Å
154	T	65.2	Low	63.6	Low	108 Å²	108	73.9 Å²	73.9	66%	0.663	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-56.1	-36.3	168.4	49.6	0	0	0	0	111.6	M156 L157	T154-M156 PolarHBondContact O-N 2.89Å; T154-L157 VanDerWaalsContact O-CB 3.23Å; T154-L157 WeakPolarHBondContact O-CB 3.22Å; T154-L157 WeakPolarHBondContact O-CG 3.12Å; T154-L157 PolarHBondContact O-N 3.39Å
155	S	65.9	Low	66	Low	61 Å²	61	71 Å²	71	43%	0.427	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-61.9	-5.6	172.6	71.7	0	0	0	0	116.1	R88 D153 D158	R88-S155 PolarHBondContact NH2-OG 3.07Å; D153-S155 PolarHBondContact O-N 3.34Å; S155-D158 WeakPolarHBondContact CA-OD2 3.43Å
156	M	66.9	Low	68.5	Low	13 Å²	13	70.2 Å²	70.2	6%	0.064	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-85.1	-23.7	167	-79.2	169	52.8	0	0	112.4	L75 R88 L151 D153 T154 C159 I160	L75-M156 HydrophobicContact CD1-CE 3.41Å; L75-M156 VanDerWaalsContact CD1-CE 3.41Å; L75-M156 HydrophobicContact CD2-CB 4.11Å; L75-M156 HydrophobicContact CD2-CE 4.15Å; L75-M156 HydrophobicContact CD2-CG 4.47Å; L75-M156 HydrophobicContact CG-CE 4.39Å; R88-M156 PolarHBondContact NH1-SD 3.3Å; L151-M156 HydrophobicContact CD2-CB 3.23Å; L151-M156 HydrophobicContact CD2-CE 3.32Å; L151-M156 HydrophobicContact CD2-CG 4.2Å; L151-M156 HydrophobicContact CD2-SD 4.22Å; L151-M156 HydrophobicContact CG-CE 4.23Å; D153-M156 HydrophobicContact CB-CB 4.16Å; D153-M156 HydrophobicContact CB-CG 3.75Å; D153-M156 HydrophobicContact CB-SD 3.79Å; D153-M156 WeakPolarHBondContact O-CB 3.48Å; D153-M156 PolarHBondContact O-N 3.01Å; T154-M156 PolarHBondContact O-N 2.89Å; M156-C159 PolarHBondContact O-N 3.12Å; M156-C159 PolarHBondContact O-SG 3.03Å; M156-I160 WeakPolarHBondContact O-CG1 3.36Å
157	L	70.4	Confident	70.8	Confident	52 Å²	52	67.5 Å²	67.5	27%	0.272	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-47	175.5	-54.2	172.4	0	0	0	110	L146 L151 T154 C159 I160	L146-L157 HydrophobicContact CD1-CD2 4.36Å; L146-L157 HydrophobicContact CD2-CD1 3.53Å; L146-L157 HydrophobicContact CD2-CD2 3.83Å; L146-L157 HydrophobicContact CD2-CG 4.25Å; L146-L157 HydrophobicContact CG-CD1 4.12Å; L146-L157 HydrophobicContact CG-CD2 3.87Å; L151-L157 HydrophobicContact CB-CD2 4.24Å; L151-L157 HydrophobicContact CD1-CD2 3.85Å; L151-L157 HydrophobicContact CD2-CD2 4.17Å; L151-L157 HydrophobicContact CG-CD2 4.32Å; T154-L157 VanDerWaalsContact O-CB 3.23Å; T154-L157 WeakPolarHBondContact O-CB 3.22Å; T154-L157 WeakPolarHBondContact O-CG 3.12Å; T154-L157 PolarHBondContact O-N 3.39Å; L157-C159 PolarHBondContact O-N 3.22Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 PolarHBondContact O-N 2.91Å
158	D	68.9	Low	73.5	Confident	125 Å²	125	66.4 Å²	66.4	67%	0.668	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-24.6	172.7	-50.4	-23	0	0	0	113.9	S155 N164	S155-D158 WeakPolarHBondContact CA-OD2 3.43Å; D158-N164 PolarHBondContact O-ND2 3.09Å
159	C	78.2	Confident	76.1	Confident	7 Å²	7	64.6 Å²	64.6	5%	0.047	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-17.3	178.8	93.9	0	0	0	0	113.5	L75 Y86 M156 L157 H161 N164	L75-C159 WeakPolarHBondContact CD2-SG 3.25Å; Y86-C159 WeakPolarHBondContact CB-O 3.41Å; Y86-C159 WeakPolarHBondContact CD1-O 3.44Å; M156-C159 PolarHBondContact O-N 3.12Å; M156-C159 PolarHBondContact O-SG 3.03Å; L157-C159 PolarHBondContact O-N 3.22Å; C159-H161 PolarHBondContact O-N 2.9Å; C159-N164 VanDerWaalsContact O-CB 3.29Å; C159-N164 WeakPolarHBondContact O-CB 3.4Å; C159-N164 PolarHBondContact O-ND2 2.9Å
160	I	82.5	Confident	78.1	Confident	53 Å²	53	63.2 Å²	63.2	27%	0.272	34%	0.338	S	S	.	.			trans	-80.5	63.8	172.5	-51.7	162.3	0	0	0	108.9	H33 L75 Y86 L151 M156 L157	H33-I160 WeakPolarHBondContact CE1-CD1 3.43Å; L75-I160 HydrophobicContact CD2-CD1 4.12Å; L75-I160 HydrophobicContact CD2-CG1 3.76Å; Y86-I160 HydrophobicContact CE1-CG2 4.3Å; Y86-I160 HydrophobicContact CE2-CG2 4.19Å; L151-I160 HydrophobicContact CD1-CD1 4.05Å; M156-I160 WeakPolarHBondContact O-CG1 3.36Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 PolarHBondContact O-N 2.91Å
161	H	83.2	Confident	80.3	Confident	110 Å²	110	60.3 Å²	60.3	51%	0.509	31%	0.309	S	S	.	.	S	Bend	trans	-132.8	148.2	174	-177.9	-102.4	0	0	0	109.6	C159 S163 N164	C159-H161 PolarHBondContact O-N 2.9Å; H161-S163 PolarHBondContact CE1-OG 3.38Å; H161-S163 PolarHBondContact ND1-N 2.86Å; H161-S163 PolarHBondContact ND1-OG 3.28Å; H161-S163 PolarHBondContact O-N 2.82Å; H161-S163 VanDerWaalsContact O-N 3.16Å; H161-N164 WeakPolarHBondContact O-CB 3.47Å; H161-N164 PolarHBondContact O-N 3Å
162	Q	86.1	Confident	81.8	Confident	136 Å²	136	67.5 Å²	67.5	64%	0.636	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-58.6	-33.9	-172.7	-169.8	66.7	-7.8	0	0	112.7	N164 L165	Q162-N164 PolarHBondContact O-N 2.78Å; Q162-N164 VanDerWaalsContact O-N 3.15Å; Q162-L165 WeakPolarHBondContact O-CB 3.49Å; Q162-L165 PolarHBondContact O-N 2.86Å; Q162-L165 VanDerWaalsContact O-N 3.13Å
163	S	87.3	Confident	83.5	Confident	86 Å²	86	62.7 Å²	62.7	60%	0.601	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-70.7	-2.6	175.6	70.8	0	0	0	0	115.3	H161	H161-S163 PolarHBondContact CE1-OG 3.38Å; H161-S163 PolarHBondContact ND1-N 2.86Å; H161-S163 PolarHBondContact ND1-OG 3.28Å; H161-S163 PolarHBondContact O-N 2.82Å; H161-S163 VanDerWaalsContact O-N 3.16Å
164	N	89.1	Confident	85.2	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.053	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-109.4	-6.5	172.1	-59.1	-48.4	0	0	0	112.8	Y86 L87 K89 D158 C159 H161 Q162 L166	Y86-N164 CarbonylContact C-O 3.53Å; Y86-N164 WeakPolarHBondContact CA-O 3.36Å; L87-N164 PolarHBondContact N-O 2.88Å; K89-N164 WeakPolarHBondContact CE-OD1 3.31Å; K89-N164 PolarHBondContact NZ-OD1 2.86Å; D158-N164 PolarHBondContact O-ND2 3.09Å; C159-N164 VanDerWaalsContact O-CB 3.29Å; C159-N164 WeakPolarHBondContact O-CB 3.4Å; C159-N164 PolarHBondContact O-ND2 2.9Å; H161-N164 WeakPolarHBondContact O-CB 3.47Å; H161-N164 PolarHBondContact O-N 3Å; Q162-N164 PolarHBondContact O-N 2.78Å; Q162-N164 VanDerWaalsContact O-N 3.15Å; N164-L166 PolarHBondContact O-N 3.48Å
165	L	92.7	Very high	86.5	Confident	46 Å²	46	57.9 Å²	57.9	24%	0.241	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	114.5	-177.8	-176	66.3	0	0	0	110.3	F84 Y86 Q162 L167	F84-L165 HydrophobicContact CB-CD1 3.98Å; F84-L165 HydrophobicContact CD1-CD1 4.16Å; Y86-L165 HydrophobicContact CD1-CB 4.19Å; Y86-L165 HydrophobicContact CD1-CD1 4.13Å; Y86-L165 HydrophobicContact CE1-CB 4.16Å; Y86-L165 HydrophobicContact CE1-CD1 3.84Å; Q162-L165 WeakPolarHBondContact O-CB 3.49Å; Q162-L165 PolarHBondContact O-N 2.86Å; Q162-L165 VanDerWaalsContact O-N 3.13Å; L165-L167 WeakPolarHBondContact CD1-O 3.41Å
166	L	92.9	Very high	87.9	Confident	60 Å²	60	58 Å²	58	31%	0.314	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-42.5	-179.4	-174.7	72.8	0	0	0	112	F38 V74 I85 L87 N164	F38-L166 HydrophobicContact CD1-CD2 3.66Å; F38-L166 HydrophobicContact CE1-CD2 3.91Å; F38-L166 HydrophobicContact CG-CD2 4.26Å; V74-L166 HydrophobicContact CG1-CD2 4.48Å; I85-L166 HydrophobicContact CG2-CB 4.27Å; I85-L166 HydrophobicContact CG2-CD2 4.16Å; I85-L166 WeakPolarHBondContact O-CB 3.37Å; I85-L166 PolarHBondContact O-N 3.35Å; L87-L166 HydrophobicContact CD1-CD1 4.25Å; L87-L166 HydrophobicContact CD2-CD1 4.22Å; L87-L166 HydrophobicContact CD2-CD2 4.27Å; L87-L166 HydrophobicContact CG-CB 4.27Å; L87-L166 HydrophobicContact CG-CD1 4.3Å; N164-L166 PolarHBondContact O-N 3.48Å
167	L	93.6	Very high	89.3	Confident	20 Å²	20	58.5 Å²	58.5	11%	0.105	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141	-176	-70.2	170.9	0	0	0	109	F38 I85 L165 N202	F38-L167 HydrophobicContact CE2-CD1 4.25Å; F38-L167 HydrophobicContact CZ-CD1 4.13Å; I85-L167 HydrophobicContact CB-CB 4.26Å; I85-L167 HydrophobicContact CD1-CB 3.74Å; I85-L167 HydrophobicContact CD1-CD1 4.1Å; I85-L167 PolarHBondContact N-O 3.05Å; L165-L167 WeakPolarHBondContact CD1-O 3.41Å; L167-N202 HydrophobicContact CD1-CB 4.46Å
168	Y	95.2	Very high	90.4	Very high	94 Å²	94	56.7 Å²	56.7	37%	0.369	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.2	166.4	165.1	-110.6	0	0	0	108.8	V83 F84 P170	V83-Y168 WeakPolarHBondContact O-CA 3.2Å; F84-Y168 AromaticContact CD1-CD2 3.4Å; F84-Y168 HydrophobicContact CD1-CD2 3.4Å; F84-Y168 HydrophobicContact CD1-CE2 4Å; F84-Y168 HydrophobicContact CD1-CG 4.1Å; F84-Y168 HydrophobicContact CD2-CD2 4.08Å; F84-Y168 HydrophobicContact CD2-CE2 4.22Å; F84-Y168 AromaticContact CE1-CD2 3.38Å; F84-Y168 HydrophobicContact CE1-CD2 3.38Å; F84-Y168 AromaticContact CE1-CE2 3.52Å; F84-Y168 HydrophobicContact CE1-CE2 3.52Å; F84-Y168 HydrophobicContact CE1-CG 4.13Å; F84-Y168 HydrophobicContact CE2-CD2 4.06Å; F84-Y168 AromaticContact CE2-CE2 3.77Å; F84-Y168 HydrophobicContact CE2-CE2 3.77Å; F84-Y168 AromaticContact CG-CD2 3.76Å; F84-Y168 HydrophobicContact CG-CD2 3.76Å; F84-Y168 HydrophobicContact CG-CE2 4.33Å; F84-Y168 AromaticContact CZ-CD2 3.72Å; F84-Y168 HydrophobicContact CZ-CD2 3.72Å; F84-Y168 AromaticContact CZ-CE2 3.39Å; F84-Y168 HydrophobicContact CZ-CE2 3.39Å; Y168-P170 HydrophobicContact CE1-CG 3.78Å
169	H	95.5	Very high	91.6	Very high	23 Å²	23	53.1 Å²	53.1	11%	0.106	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124	170.5	-59	-86.2	0	0	0	109.3	G82 V83 I174 Y189 A191 N202	G82-H169 VanDerWaalsContact CA-O 3.3Å; G82-H169 WeakPolarHBondContact CA-O 3.43Å; V83-H169 PolarHBondContact N-O 2.98Å; V83-H169 PolarHBondContact O-N 3.2Å; H169-I174 HydrophobicContact CB-CD1 4.49Å; H169-I174 HydrophobicContact CB-CG1 4.16Å; H169-Y189 AromaticContact CD2-CE2 3.54Å; H169-Y189 AromaticContact CD2-CZ 3.75Å; H169-Y189 PolarHBondContact CD2-OH 2.92Å; H169-Y189 AromaticContact NE2-CE2 3.99Å; H169-Y189 PolarHBondContact NE2-OH 2.99Å; H169-A191 HydrophobicContact CB-CB 3.93Å; H169-A191 VanDerWaalsContact ND1-CB 3.31Å; H169-A191 WeakPolarHBondContact ND1-CB 3.33Å; H169-N202 PolarHBondContact NE2-ND2 2.83Å
170	P	95.7	Very high	92.4	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.058	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	147.6	171.8	-20.2	29.5	0	0	0	111.6	D81 Y168 Y172 R173	D81-P170 WeakPolarHBondContact O-CA 3.49Å; Y168-P170 HydrophobicContact CE1-CG 3.78Å; P170-Y172 VanDerWaalsContact C-N 3.28Å; P170-Y172 HydrophobicContact CB-CD1 3.62Å; P170-Y172 HydrophobicContact CB-CE1 3.24Å; P170-Y172 HydrophobicContact CB-CE2 4.45Å; P170-Y172 HydrophobicContact CB-CG 4.36Å; P170-Y172 HydrophobicContact CG-CE1 3.94Å; P170-Y172 PolarHBondContact O-N 2.98Å; P170-R173 HydrophobicContact CB-CG 4.35Å; P170-R173 HydrophobicContact CG-CG 4.36Å; P170-R173 PolarHBondContact O-N 3.09Å
171	I	96.1	Very high	92.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.6	-45.3	-176.7	-63.5	-54.4	0	0	0	111.3	S79 A80 D81 V83 R173 I174 A222 F223 C226	S79-I171 WeakPolarHBondContact O-CG1 3.5Å; A80-I171 WeakPolarHBondContact O-CG1 3.31Å; D81-I171 PolarHBondContact O-N 3.23Å; D81-I171 VanDerWaalsContact O-N 3.09Å; V83-I171 HydrophobicContact CG2-CD1 4.08Å; I171-R173 PolarHBondContact O-N 3.36Å; I171-I174 HydrophobicContact CD1-CD1 4.4Å; I171-I174 PolarHBondContact O-N 2.9Å; I171-A222 HydrophobicContact CD1-CB 3.74Å; I171-A222 HydrophobicContact CG1-CB 4.18Å; I171-F223 HydrophobicContact CG2-CB 4.45Å; I171-F223 HydrophobicContact CG2-CD1 3.43Å; I171-F223 VanDerWaalsContact CG2-CD1 3.43Å; I171-F223 HydrophobicContact CG2-CE1 3.89Å; I171-F223 HydrophobicContact CG2-CG 4.06Å; I171-F223 WeakPolarHBondContact O-CE1 3.5Å; I171-C226 HydrophobicContact CB-CB 3.97Å; I171-C226 HydrophobicContact CG1-CB 4.44Å; I171-C226 HydrophobicContact CG2-CB 3.68Å
172	Y	93.8	Very high	93.2	Very high	156 Å²	156	54.5 Å²	54.5	61%	0.612	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-62.4	-7	179.2	70.3	-97.9	0	0	0	115.4	P170	P170-Y172 VanDerWaalsContact C-N 3.28Å; P170-Y172 HydrophobicContact CB-CD1 3.62Å; P170-Y172 HydrophobicContact CB-CE1 3.24Å; P170-Y172 HydrophobicContact CB-CE2 4.45Å; P170-Y172 HydrophobicContact CB-CG 4.36Å; P170-Y172 HydrophobicContact CG-CE1 3.94Å; P170-Y172 PolarHBondContact O-N 2.98Å
173	R	94.2	Very high	93.5	Very high	78 Å²	78	49.6 Å²	49.6	29%	0.294	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-105	-9.1	174.5	-55.8	-166.9	-167.7	178.1	-6.1	113.9	P170 I171 F175 A191 R192 S194	P170-R173 HydrophobicContact CB-CG 4.35Å; P170-R173 HydrophobicContact CG-CG 4.36Å; P170-R173 PolarHBondContact O-N 3.09Å; I171-R173 PolarHBondContact O-N 3.36Å; R173-F175 PolarHBondContact O-N 3.27Å; R173-A191 CarbonylContact O-C 3.42Å; R173-A191 WeakPolarHBondContact O-CA 3.2Å; R173-R192 PolarHBondContact O-N 2.89Å; R173-S194 PolarHBondContact NH1-OG 2.83Å
174	I	95.8	Very high	93.8	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	114.6	176.5	-54.8	179.6	0	0	0	107.2	V83 H169 I171 Y189 I190 A191 F223	V83-I174 HydrophobicContact CB-CD1 4.02Å; V83-I174 HydrophobicContact CG2-CD1 3.51Å; H169-I174 HydrophobicContact CB-CD1 4.49Å; H169-I174 HydrophobicContact CB-CG1 4.16Å; I171-I174 HydrophobicContact CD1-CD1 4.4Å; I171-I174 PolarHBondContact O-N 2.9Å; I174-Y189 HydrophobicContact CD1-CD2 4.41Å; I174-Y189 HydrophobicContact CG1-CD2 4.39Å; I174-Y189 HydrophobicContact CG2-CD2 4.09Å; I174-Y189 HydrophobicContact CG2-CG 4.3Å; I174-I190 CarbonylContact C-O 3.22Å; I174-I190 WeakPolarHBondContact CA-O 3.45Å; I174-A191 HydrophobicContact CG1-CB 4.36Å; I174-F223 HydrophobicContact CB-CE1 4.01Å; I174-F223 HydrophobicContact CB-CZ 3.75Å; I174-F223 HydrophobicContact CG2-CZ 3.76Å; I174-F223 WeakPolarHBondContact O-CE1 3.46Å; I174-F223 VanDerWaalsContact O-CZ 3.31Å; I174-F223 WeakPolarHBondContact O-CZ 3.23Å
175	F	93.4	Very high	94.1	Very high	68 Å²	68	51.3 Å²	51.3	30%	0.298	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-32.7	-177.3	177.6	-105.3	0	0	0	112.5	P47 R173 I190 F199 M777	P47-F175 HydrophobicContact CG-CD1 4.03Å; P47-F175 HydrophobicContact CG-CE1 3.89Å; R173-F175 PolarHBondContact O-N 3.27Å; F175-I190 PolarHBondContact N-O 2.92Å; F175-F199 HydrophobicContact CB-CD1 4.31Å; F175-F199 HydrophobicContact CB-CE1 4.07Å; F175-F199 HydrophobicContact CD1-CE1 4.37Å; F175-F199 HydrophobicContact CD2-CE1 4.26Å; F175-F199 HydrophobicContact CG-CD1 4.43Å; F175-F199 AromaticContact CG-CE1 3.97Å; F175-F199 HydrophobicContact CG-CE1 3.97Å; F175-M777 WeakPolarHBondContact O-CE 3.34Å
176	Y	95.2	Very high	94.3	Very high	63 Å²	63	49.1 Å²	49.1	25%	0.247	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	149.8	-173.9	-165.3	-106.1	0	0	0	111.7	I53 S178 Y189 I190	I53-Y176 HydrophobicContact CD1-CD1 3.57Å; I53-Y176 HydrophobicContact CD1-CD2 4.29Å; I53-Y176 HydrophobicContact CD1-CE1 3.67Å; I53-Y176 HydrophobicContact CD1-CE2 4.41Å; I53-Y176 HydrophobicContact CD1-CG 3.87Å; I53-Y176 HydrophobicContact CG2-CD1 3.83Å; I53-Y176 HydrophobicContact CG2-CE1 3.77Å; Y176-S178 VanDerWaalsContact CE1-CB 3.45Å; Y176-S178 WeakPolarHBondContact CE1-OG 3.21Å; Y176-Y189 CarbonylContact O-C 3.48Å; Y176-Y189 WeakPolarHBondContact O-CA 3.28Å; Y176-Y189 WeakPolarHBondContact O-CB 3.25Å; Y176-I190 PolarHBondContact N-O 3.24Å; Y176-I190 PolarHBondContact O-N 3.36Å
177	V	96	Very high	94.5	Very high	25 Å²	25	46.5 Å²	46.5	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.8	173.7	63.4	0	0	0	0	109.8	S188 V216 V219 F223	V177-S188 WeakPolarHBondContact CA-O 3.38Å; V177-V216 HydrophobicContact CG1-CG1 4.46Å; V177-V216 HydrophobicContact CG2-CG1 4.37Å; V177-V216 HydrophobicContact CG2-CG2 4.24Å; V177-V219 HydrophobicContact CB-CB 4.47Å; V177-V219 HydrophobicContact CB-CG1 4.08Å; V177-V219 HydrophobicContact CG1-CB 4.2Å; V177-V219 HydrophobicContact CG1-CG1 3.96Å; V177-V219 HydrophobicContact CG2-CB 4.1Å; V177-V219 HydrophobicContact CG2-CG1 4.14Å; V177-V219 HydrophobicContact CG2-CG2 4.37Å; V177-F223 HydrophobicContact CG1-CE2 4.14Å
178	S	94.1	Very high	94.7	Very high	13 Å²	13	45.5 Å²	45.5	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	168.8	-175.2	61.9	0	0	0	0	113.9	M57 Y176 F187 S188	M57-S178 WeakPolarHBondContact CE-OG 3.47Å; Y176-S178 VanDerWaalsContact CE1-CB 3.45Å; Y176-S178 WeakPolarHBondContact CE1-OG 3.21Å; S178-F187 CarbonylContact O-C 3.52Å; S178-F187 WeakPolarHBondContact O-CA 3.49Å; S178-F187 VanDerWaalsContact O-CB 3.3Å; S178-F187 WeakPolarHBondContact O-CB 3.4Å; S178-S188 PolarHBondContact N-O 3.1Å; S178-S188 PolarHBondContact O-N 2.94Å
179	H	94	Very high	94.8	Very high	51 Å²	51	41.4 Å²	41.4	24%	0.236	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	157.7	170.5	55.1	-103.5	0	0	0	111.2	L184 I186 M213	H179-L184 VanDerWaalsContact CD2-CD2 3.47Å; H179-L184 WeakPolarHBondContact CD2-CD2 3.47Å; H179-I186 VanDerWaalsContact CA-O 3.26Å; H179-I186 WeakPolarHBondContact CA-O 3.14Å; H179-I186 WeakPolarHBondContact CB-O 3.37Å; H179-M213 PolarHBondContact ND1-SD 3.02Å; H179-M213 VanDerWaalsContact ND1-SD 3.38Å
180	D	94.4	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	122.6	171.5	-163.3	-31.9	0	0	0	109.8	M57 R58 R61 Q182 D183 L184 I186	M57-D180 HydrophobicContact SD-CB 3.66Å; R58-D180 WeakPolarHBondContact CG-OD2 3.46Å; R58-D180 IonicContact CZ-OD1 3.07Å; R58-D180 IonicContact CZ-OD2 3.24Å; R58-D180 IonicContact NE-OD1 2.85Å; R58-D180 PolarHBondContact NE-OD1 3.49Å; R58-D180 IonicContact NE-OD2 3.77Å; R58-D180 PolarHBondContact NE-OD2 3.47Å; R58-D180 IonicContact NH2-OD1 3.95Å; R58-D180 PolarHBondContact NH2-OD1 3.48Å; R61-D180 IonicContact CZ-OD2 2.79Å; R61-D180 IonicContact NH1-OD2 2.98Å; R61-D180 PolarHBondContact NH1-OD2 2.99Å; D180-Q182 PolarHBondContact O-N 3.27Å; D180-Q182 VanDerWaalsContact O-N 3.11Å; D180-Q182 PolarHBondContact OD1-N 2.87Å; D180-D183 CarbonylContact O-C 3.51Å; D180-D183 VanDerWaalsContact O-C 3.22Å; D180-D183 PolarHBondContact O-N 3.37Å; D180-D183 VanDerWaalsContact O-N 3.11Å; D180-L184 WeakPolarHBondContact O-CD2 3.47Å; D180-L184 PolarHBondContact O-N 3.2Å; D180-I186 HydrophobicContact CB-CB 4.26Å; D180-I186 HydrophobicContact CB-CG2 4.39Å; D180-I186 PolarHBondContact N-O 2.86Å; D180-I186 VanDerWaalsContact N-O 3.16Å
181	S	90.1	Very high	94.9	Very high	62 Å²	62	39.9 Å²	39.9	43%	0.434	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.5	176.2	55.8	0	0	0	0	113.9
182	Q	91.7	Very high	94.9	Very high	136 Å²	136	45.6 Å²	45.6	64%	0.636	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-13.8	176.8	-69.5	176.5	-8.5	0	0	114.4	R58 D180	R58-Q182 VanDerWaalsContact CZ-CD 3.43Å; R58-Q182 VanDerWaalsContact NH2-CD 3.27Å; D180-Q182 PolarHBondContact O-N 3.27Å; D180-Q182 VanDerWaalsContact O-N 3.11Å; D180-Q182 PolarHBondContact OD1-N 2.87Å
183	D	93.8	Very high	94.7	Very high	34 Å²	34	41 Å²	41	18%	0.182	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	80.2	176.1	-177.4	-3.7	0	0	0	107.5	R61 D180 K185 I186 K205	R61-D183 IonicContact CZ-OD2 3.06Å; R61-D183 IonicContact NH2-OD2 2.69Å; R61-D183 PolarHBondContact NH2-OD2 2.96Å; D180-D183 CarbonylContact O-C 3.51Å; D180-D183 VanDerWaalsContact O-C 3.22Å; D180-D183 PolarHBondContact O-N 3.37Å; D180-D183 VanDerWaalsContact O-N 3.11Å; D183-K185 PolarHBondContact O-N 3.27Å; D183-K185 PolarHBondContact OD1-N 3.46Å; D183-I186 HydrophobicContact CB-CB 4.44Å; D183-I186 HydrophobicContact CB-CG1 3.92Å; D183-I186 WeakPolarHBondContact O-CA 3.49Å; D183-I186 WeakPolarHBondContact O-CB 3.5Å; D183-I186 PolarHBondContact O-N 2.92Å; D183-I186 WeakPolarHBondContact OD2-CG1 3.38Å; D183-K205 IonicContact OD1-NZ 2.7Å; D183-K205 PolarHBondContact OD1-NZ 2.96Å; D183-K205 IonicContact OD2-NZ 3.44Å; D183-K205 PolarHBondContact OD2-NZ 2.95Å
184	L	92.9	Very high	94.2	Very high	44 Å²	44	41.1 Å²	41.1	23%	0.23	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	5.2	-177.4	-59.6	171.5	0	0	0	114.1	H179 D180 K209 A212	H179-L184 VanDerWaalsContact CD2-CD2 3.47Å; H179-L184 WeakPolarHBondContact CD2-CD2 3.47Å; D180-L184 WeakPolarHBondContact O-CD2 3.47Å; D180-L184 PolarHBondContact O-N 3.2Å; L184-K209 HydrophobicContact CB-CD 4.48Å; L184-K209 HydrophobicContact CB-CG 3.99Å; L184-K209 HydrophobicContact CD1-CD 4.17Å; L184-K209 HydrophobicContact CD1-CG 4.5Å; L184-A212 WeakPolarHBondContact O-CB 3.34Å
185	K	95.8	Very high	93.7	Very high	87 Å²	87	51 Å²	51	38%	0.378	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-4.8	165.6	-56.3	-169.7	178.4	-167.6	0	112.3	D183 K205 A206	D183-K185 PolarHBondContact O-N 3.27Å; D183-K185 PolarHBondContact OD1-N 3.46Å; K185-K205 HydrophobicContact CB-CG 4.5Å; K185-K205 CarbonylContact O-C 3.59Å; K185-K205 WeakPolarHBondContact O-CA 3.14Å; K185-A206 PolarHBondContact O-N 3.37Å
186	I	97	Very high	93.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136	176.4	-61.6	-77.1	0	0	0	109.3	V39 M57 H179 D180 D183 V203 F204 K205	V39-I186 HydrophobicContact CG2-CD1 4.33Å; M57-I186 HydrophobicContact CG-CG2 4.36Å; M57-I186 HydrophobicContact SD-CG2 3.74Å; H179-I186 VanDerWaalsContact CA-O 3.26Å; H179-I186 WeakPolarHBondContact CA-O 3.14Å; H179-I186 WeakPolarHBondContact CB-O 3.37Å; D180-I186 HydrophobicContact CB-CB 4.26Å; D180-I186 HydrophobicContact CB-CG2 4.39Å; D180-I186 PolarHBondContact N-O 2.86Å; D180-I186 VanDerWaalsContact N-O 3.16Å; D183-I186 HydrophobicContact CB-CB 4.44Å; D183-I186 HydrophobicContact CB-CG1 3.92Å; D183-I186 WeakPolarHBondContact O-CA 3.49Å; D183-I186 WeakPolarHBondContact O-CB 3.5Å; D183-I186 PolarHBondContact O-N 2.92Å; D183-I186 WeakPolarHBondContact OD2-CG1 3.38Å; I186-V203 HydrophobicContact CG2-CG1 3.79Å; I186-F204 WeakPolarHBondContact CA-O 3.29Å; I186-K205 HydrophobicContact CD1-CB 3.72Å; I186-K205 HydrophobicContact CD1-CD 3.94Å; I186-K205 HydrophobicContact CD1-CG 3.92Å
187	F	97.3	Very high	93.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.7	169.3	65.7	-85.6	0	0	0	110.4	A36 I76 S178 F204 A206 A212 I215 V216	A36-F187 HydrophobicContact CB-CE1 4.46Å; A36-F187 HydrophobicContact CB-CZ 4.24Å; I76-F187 HydrophobicContact CD1-CE2 4.02Å; I76-F187 HydrophobicContact CD1-CZ 3.68Å; S178-F187 CarbonylContact O-C 3.52Å; S178-F187 WeakPolarHBondContact O-CA 3.49Å; S178-F187 VanDerWaalsContact O-CB 3.3Å; S178-F187 WeakPolarHBondContact O-CB 3.4Å; F187-F204 HydrophobicContact CD1-CB 4.14Å; F187-F204 HydrophobicContact CD2-CB 4.11Å; F187-F204 HydrophobicContact CD2-CD2 4.14Å; F187-F204 HydrophobicContact CD2-CG 4.44Å; F187-F204 HydrophobicContact CE1-CB 3.62Å; F187-F204 HydrophobicContact CE2-CB 3.58Å; F187-F204 AromaticContact CE2-CD2 3.67Å; F187-F204 HydrophobicContact CE2-CD2 3.67Å; F187-F204 AromaticContact CE2-CG 3.72Å; F187-F204 HydrophobicContact CE2-CG 3.72Å; F187-F204 HydrophobicContact CG-CB 4.37Å; F187-F204 HydrophobicContact CZ-CB 3.3Å; F187-F204 HydrophobicContact CZ-CD2 4.24Å; F187-F204 AromaticContact CZ-CG 3.8Å; F187-F204 HydrophobicContact CZ-CG 3.8Å; F187-F204 PolarHBondContact N-O 3.28Å; F187-F204 VanDerWaalsContact N-O 3.11Å; F187-F204 PolarHBondContact O-N 3.5Å; F187-A206 HydrophobicContact CD1-CB 4.43Å; F187-A206 HydrophobicContact CE1-CB 4.14Å; F187-A212 HydrophobicContact CD1-CB 3.94Å; F187-I215 HydrophobicContact CD1-CD1 4.48Å; F187-I215 HydrophobicContact CD2-CG2 3.95Å; F187-I215 HydrophobicContact CE1-CD1 3.62Å; F187-I215 HydrophobicContact CE1-CG2 4.39Å; F187-I215 HydrophobicContact CE2-CG2 3.56Å; F187-I215 HydrophobicContact CZ-CB 4.45Å; F187-I215 HydrophobicContact CZ-CD1 3.63Å; F187-I215 HydrophobicContact CZ-CG2 3.8Å; F187-V216 HydrophobicContact CB-CG2 3.92Å
188	S	97.5	Very high	92.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157.2	170.7	69.4	0	0	0	0	110.9	M57 V177 S178 N202	M57-S188 WeakPolarHBondContact CE-OG 3.48Å; V177-S188 WeakPolarHBondContact CA-O 3.38Å; S178-S188 PolarHBondContact N-O 3.1Å; S178-S188 PolarHBondContact O-N 2.94Å; S188-N202 WeakPolarHBondContact CA-O 3.22Å; S188-N202 WeakPolarHBondContact CB-O 3.31Å
189	Y	97.5	Very high	93	Very high	7 Å²	7	51.9 Å²	51.9	3%	0.027	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154.8	158.5	69.2	-94.5	0	0	0	109.3	V83 I85 H169 I174 Y176 A191 N202 F204	V83-Y189 HydrophobicContact CG1-CE1 4.34Å; I85-Y189 HydrophobicContact CD1-CE1 3.96Å; I85-Y189 WeakPolarHBondContact CD1-OH 3.17Å; H169-Y189 AromaticContact CD2-CE2 3.54Å; H169-Y189 AromaticContact CD2-CZ 3.75Å; H169-Y189 PolarHBondContact CD2-OH 2.92Å; H169-Y189 AromaticContact NE2-CE2 3.99Å; H169-Y189 PolarHBondContact NE2-OH 2.99Å; I174-Y189 HydrophobicContact CD1-CD2 4.41Å; I174-Y189 HydrophobicContact CG1-CD2 4.39Å; I174-Y189 HydrophobicContact CG2-CD2 4.09Å; I174-Y189 HydrophobicContact CG2-CG 4.3Å; Y176-Y189 CarbonylContact O-C 3.48Å; Y176-Y189 WeakPolarHBondContact O-CA 3.28Å; Y176-Y189 WeakPolarHBondContact O-CB 3.25Å; Y189-A191 HydrophobicContact CD2-CB 4.06Å; Y189-A191 HydrophobicContact CE2-CB 3.9Å; Y189-N202 HydrophobicContact CE1-CB 4.07Å; Y189-N202 HydrophobicContact CE2-CB 4.15Å; Y189-N202 WeakPolarHBondContact CE2-ND2 3.46Å; Y189-N202 PolarHBondContact N-O 3Å; Y189-N202 PolarHBondContact O-N 3.09Å; Y189-N202 PolarHBondContact OH-ND2 3.44Å; Y189-F204 AromaticContact CD1-CE2 3.87Å; Y189-F204 HydrophobicContact CD1-CE2 3.87Å; Y189-F204 AromaticContact CE1-CE2 3.43Å; Y189-F204 HydrophobicContact CE1-CE2 3.43Å; Y189-F204 VanDerWaalsContact CE1-CE2 3.43Å; Y189-F204 AromaticContact CE1-CZ 3.75Å; Y189-F204 HydrophobicContact CE1-CZ 3.75Å
190	I	97.1	Very high	93.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.6	175.1	-60.3	173.2	0	0	0	106.6	I44 P47 I53 I174 F175 Y176 F199 R200 C201	I44-I190 HydrophobicContact CD1-CD1 3.84Å; I44-I190 HydrophobicContact CD1-CG1 4.28Å; I44-I190 HydrophobicContact CD1-CG2 4.08Å; P47-I190 HydrophobicContact CG-CD1 4.05Å; I53-I190 HydrophobicContact CB-CD1 4.32Å; I53-I190 HydrophobicContact CD1-CD1 4.2Å; I53-I190 HydrophobicContact CG1-CD1 3.82Å; I53-I190 HydrophobicContact CG2-CD1 3.86Å; I174-I190 CarbonylContact C-O 3.22Å; I174-I190 WeakPolarHBondContact CA-O 3.45Å; F175-I190 PolarHBondContact N-O 2.92Å; Y176-I190 PolarHBondContact N-O 3.24Å; Y176-I190 PolarHBondContact O-N 3.36Å; I190-F199 HydrophobicContact CG2-CB 4Å; I190-F199 HydrophobicContact CG2-CD1 4.02Å; I190-R200 WeakPolarHBondContact CA-O 3.44Å; I190-C201 HydrophobicContact CG1-CB 4.03Å
191	A	96.1	Very high	93.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.2	177.5	0	0	0	0	0	110.8	H169 R173 I174 Y189 R200	H169-A191 HydrophobicContact CB-CB 3.93Å; H169-A191 VanDerWaalsContact ND1-CB 3.31Å; H169-A191 WeakPolarHBondContact ND1-CB 3.33Å; R173-A191 CarbonylContact O-C 3.42Å; R173-A191 WeakPolarHBondContact O-CA 3.2Å; I174-A191 HydrophobicContact CG1-CB 4.36Å; Y189-A191 HydrophobicContact CD2-CB 4.06Å; Y189-A191 HydrophobicContact CE2-CB 3.9Å; A191-R200 PolarHBondContact N-O 3.48Å; A191-R200 PolarHBondContact O-N 2.95Å
192	R	94.7	Very high	93.5	Very high	121 Å²	121	50.8 Å²	50.8	46%	0.457	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.5	174.6	-159.8	-177.1	-174.2	-166.1	1.2	109.7	R173 S197 V198 F199	R173-R192 PolarHBondContact O-N 2.89Å; R192-S197 VanDerWaalsContact CG-O 3.24Å; R192-S197 WeakPolarHBondContact CG-O 3.43Å; R192-S197 PolarHBondContact NE-O 3.48Å; R192-V198 WeakPolarHBondContact CA-O 3.35Å; R192-F199 HydrophobicContact CB-CD1 4.49Å; R192-F199 HydrophobicContact CB-CE1 4.32Å; R192-F199 HydrophobicContact CG-CE1 4.29Å; R192-F199 HydrophobicContact CG-CE2 4.33Å; R192-F199 HydrophobicContact CG-CZ 4.15Å
193	D	90.5	Very high	93.8	Very high	60 Å²	60	44.3 Å²	44.3	32%	0.321	21%	0.214	S	C	.	.			trans	-70.1	144	167.6	173.1	39.9	0	0	0	110.4	R195 T196 S197 V198	D193-R195 PolarHBondContact OD1-N 3.25Å; D193-R195 PolarHBondContact OD2-N 3.17Å; D193-T196 WeakPolarHBondContact CB-OG1 3.45Å; D193-T196 WeakPolarHBondContact OD2-CB 3.4Å; D193-T196 WeakPolarHBondContact OD2-CG2 3.43Å; D193-T196 PolarHBondContact OD2-N 3.33Å; D193-T196 PolarHBondContact OD2-OG1 3.04Å; D193-S197 VanDerWaalsContact O-CA 3.26Å; D193-S197 WeakPolarHBondContact O-CA 3.32Å; D193-S197 PolarHBondContact O-N 3.48Å; D193-V198 PolarHBondContact N-O 2.83Å
194	S	83	Confident	94	Very high	81 Å²	81	42.7 Å²	42.7	57%	0.566	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-33.8	177	36.1	0	0	0	0	114	R173	R173-S194 PolarHBondContact NH1-OG 2.83Å
195	R	85.7	Confident	94.3	Very high	215 Å²	215	43.4 Å²	43.4	81%	0.811	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-45	-169.7	-169.2	-174.8	68.1	88.3	1.5	112.5	D193	D193-R195 PolarHBondContact OD1-N 3.25Å; D193-R195 PolarHBondContact OD2-N 3.17Å
196	T	89.4	Confident	94.3	Very high	62 Å²	62	39.4 Å²	39.4	38%	0.38	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-15	-179.3	61.5	0	0	0	0	112.8	D193 V198	D193-T196 WeakPolarHBondContact CB-OG1 3.45Å; D193-T196 WeakPolarHBondContact OD2-CB 3.4Å; D193-T196 WeakPolarHBondContact OD2-CG2 3.43Å; D193-T196 PolarHBondContact OD2-N 3.33Å; D193-T196 PolarHBondContact OD2-OG1 3.04Å; T196-V198 PolarHBondContact O-N 2.99Å; T196-V198 VanDerWaalsContact O-N 3.08Å; T196-V198 WeakPolarHBondContact OG1-CB 3.23Å; T196-V198 PolarHBondContact OG1-N 3.21Å
197	S	86.5	Confident	94.2	Very high	58 Å²	58	43.6 Å²	43.6	41%	0.406	21%	0.207	S	C	.	.			trans	63.4	2.8	-173.5	93.7	0	0	0	0	115.7	R192 D193	R192-S197 VanDerWaalsContact CG-O 3.24Å; R192-S197 WeakPolarHBondContact CG-O 3.43Å; R192-S197 PolarHBondContact NE-O 3.48Å; D193-S197 VanDerWaalsContact O-CA 3.26Å; D193-S197 WeakPolarHBondContact O-CA 3.32Å; D193-S197 PolarHBondContact O-N 3.48Å
198	V	92.8	Very high	94	Very high	53 Å²	53	46.1 Å²	46.1	32%	0.321	22%	0.218	S	C	.	.			trans	-66	148.1	179.6	172.7	0	0	0	0	111.2	D43 R192 D193 T196	D43-V198 HydrophobicContact CB-CG1 3.7Å; R192-V198 WeakPolarHBondContact CA-O 3.35Å; D193-V198 PolarHBondContact N-O 2.83Å; T196-V198 PolarHBondContact O-N 2.99Å; T196-V198 VanDerWaalsContact O-N 3.08Å; T196-V198 WeakPolarHBondContact OG1-CB 3.23Å; T196-V198 PolarHBondContact OG1-N 3.21Å
199	F	95.1	Very high	93.8	Very high	14 Å²	14	50.9 Å²	50.9	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.3	175.9	-68.7	-98.1	0	0	0	109.5	I44 R46 F175 I190 R192	I44-F199 HydrophobicContact CD1-CB 4.45Å; I44-F199 HydrophobicContact CG1-CB 3.95Å; I44-F199 WeakPolarHBondContact CG1-O 3.48Å; I44-F199 PolarHBondContact N-O 3.13Å; R46-F199 HydrophobicContact CB-CD2 3.76Å; R46-F199 HydrophobicContact CB-CE2 3.63Å; R46-F199 HydrophobicContact CB-CZ 4.34Å; R46-F199 HydrophobicContact CG-CD2 4.09Å; R46-F199 HydrophobicContact CG-CE1 4.46Å; R46-F199 HydrophobicContact CG-CE2 3.55Å; R46-F199 HydrophobicContact CG-CZ 3.76Å; F175-F199 HydrophobicContact CB-CD1 4.31Å; F175-F199 HydrophobicContact CB-CE1 4.07Å; F175-F199 HydrophobicContact CD1-CE1 4.37Å; F175-F199 HydrophobicContact CD2-CE1 4.26Å; F175-F199 HydrophobicContact CG-CD1 4.43Å; F175-F199 AromaticContact CG-CE1 3.97Å; F175-F199 HydrophobicContact CG-CE1 3.97Å; I190-F199 HydrophobicContact CG2-CB 4Å; I190-F199 HydrophobicContact CG2-CD1 4.02Å; R192-F199 HydrophobicContact CB-CD1 4.49Å; R192-F199 HydrophobicContact CB-CE1 4.32Å; R192-F199 HydrophobicContact CG-CE1 4.29Å; R192-F199 HydrophobicContact CG-CE2 4.33Å; R192-F199 HydrophobicContact CG-CZ 4.15Å
200	R	95.6	Very high	93.6	Very high	90 Å²	90	54.3 Å²	54.3	34%	0.34	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.5	179.5	-176.1	167.9	168.4	159	-0.5	110.5	D43 I190 A191 N202	D43-R200 WeakPolarHBondContact OD1-CB 3.39Å; D43-R200 WeakPolarHBondContact OD1-CD 3.37Å; D43-R200 VanDerWaalsContact OD1-CG 3.28Å; D43-R200 WeakPolarHBondContact OD1-CG 3.26Å; I190-R200 WeakPolarHBondContact CA-O 3.44Å; A191-R200 PolarHBondContact N-O 3.48Å; A191-R200 PolarHBondContact O-N 2.95Å; R200-N202 PolarHBondContact NE-OD1 3.46Å
201	C	97	Very high	93.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121	175.3	-174.8	0	0	0	0	109.4	G41 M42 I44 I60 I190	G41-C201 CarbonylContact C-O 3.57Å; G41-C201 WeakPolarHBondContact CA-O 3.49Å; M42-C201 PolarHBondContact N-O 2.92Å; M42-C201 PolarHBondContact O-N 3.21Å; I44-C201 HydrophobicContact CD1-CB 4.06Å; I44-C201 HydrophobicContact CG1-CB 4.35Å; I44-C201 HydrophobicContact CG2-CB 4.2Å; I60-C201 HydrophobicContact CD1-CB 3.73Å; I190-C201 HydrophobicContact CG1-CB 4.03Å
202	N	97.4	Very high	93.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.7	179	-65.3	-61.6	0	0	0	109.4	F38 L167 H169 S188 Y189 R200 F204	F38-N202 HydrophobicContact CE2-CB 4.27Å; L167-N202 HydrophobicContact CD1-CB 4.46Å; H169-N202 PolarHBondContact NE2-ND2 2.83Å; S188-N202 WeakPolarHBondContact CA-O 3.22Å; S188-N202 WeakPolarHBondContact CB-O 3.31Å; Y189-N202 HydrophobicContact CE1-CB 4.07Å; Y189-N202 HydrophobicContact CE2-CB 4.15Å; Y189-N202 WeakPolarHBondContact CE2-ND2 3.46Å; Y189-N202 PolarHBondContact N-O 3Å; Y189-N202 PolarHBondContact O-N 3.09Å; Y189-N202 PolarHBondContact OH-ND2 3.44Å; R200-N202 PolarHBondContact NE-OD1 3.46Å; N202-F204 HydrophobicContact CB-CE2 3.75Å; N202-F204 HydrophobicContact CB-CZ 4.07Å; N202-F204 WeakPolarHBondContact O-CD2 3.2Å; N202-F204 VanDerWaalsContact O-CE2 3.31Å; N202-F204 WeakPolarHBondContact O-CE2 3.18Å
203	V	97.8	Very high	93.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137	-169.7	-173.4	0	0	0	0	111.4	F38 V39 G40 M57 I60 R61 I186	F38-V203 WeakPolarHBondContact CD2-O 3.44Å; V39-V203 HydrophobicContact CB-CB 4.22Å; V39-V203 HydrophobicContact CB-CG1 4.18Å; V39-V203 VanDerWaalsContact CB-O 3.3Å; V39-V203 WeakPolarHBondContact CB-O 3.47Å; V39-V203 HydrophobicContact CG2-CG1 4.12Å; V39-V203 PolarHBondContact N-O 2.86Å; G40-V203 PolarHBondContact O-N 2.69Å; M57-V203 HydrophobicContact CG-CG1 3.98Å; M57-V203 HydrophobicContact CG-CG2 3.96Å; I60-V203 HydrophobicContact CB-CG2 3.9Å; I60-V203 HydrophobicContact CD1-CG2 3.81Å; I60-V203 HydrophobicContact CG1-CG2 4.47Å; I60-V203 HydrophobicContact CG2-CB 4.05Å; I60-V203 HydrophobicContact CG2-CG2 3.7Å; R61-V203 HydrophobicContact CG-CG1 4.09Å; I186-V203 HydrophobicContact CG2-CG1 3.79Å
204	F	98.3	Very high	93.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.3	-173.6	-57.6	-93.7	0	0	0	111.2	K37 F38 V74 I76 I85 I186 F187 Y189 N202	K37-F204 CarbonylContact O-C 3.52Å; K37-F204 WeakPolarHBondContact O-CA 3.44Å; F38-F204 HydrophobicContact CB-CD1 4.24Å; F38-F204 HydrophobicContact CB-CE1 4.21Å; F38-F204 AromaticContact CD2-CD1 3.9Å; F38-F204 HydrophobicContact CD2-CD1 3.9Å; F38-F204 AromaticContact CD2-CE1 3.47Å; F38-F204 HydrophobicContact CD2-CE1 3.47Å; F38-F204 VanDerWaalsContact CD2-CE1 3.47Å; F38-F204 HydrophobicContact CD2-CE2 4.47Å; F38-F204 AromaticContact CD2-CZ 3.78Å; F38-F204 HydrophobicContact CD2-CZ 3.78Å; F38-F204 HydrophobicContact CE2-CE1 4.24Å; F38-F204 HydrophobicContact CE2-CZ 4.09Å; F38-F204 HydrophobicContact CG-CE1 4.22Å; V74-F204 HydrophobicContact CG2-CD1 4.25Å; V74-F204 HydrophobicContact CG2-CE1 4.4Å; I76-F204 HydrophobicContact CD1-CD1 3.83Å; I76-F204 HydrophobicContact CD1-CE1 4.07Å; I76-F204 HydrophobicContact CD1-CG 4.27Å; I85-F204 HydrophobicContact CD1-CE1 4.07Å; I85-F204 HydrophobicContact CD1-CZ 3.6Å; I85-F204 HydrophobicContact CG1-CE1 4.19Å; I85-F204 HydrophobicContact CG1-CZ 4.21Å; I85-F204 HydrophobicContact CG2-CE1 4.27Å; I186-F204 WeakPolarHBondContact CA-O 3.29Å; F187-F204 HydrophobicContact CD1-CB 4.14Å; F187-F204 HydrophobicContact CD2-CB 4.11Å; F187-F204 HydrophobicContact CD2-CD2 4.14Å; F187-F204 HydrophobicContact CD2-CG 4.44Å; F187-F204 HydrophobicContact CE1-CB 3.62Å; F187-F204 HydrophobicContact CE2-CB 3.58Å; F187-F204 AromaticContact CE2-CD2 3.67Å; F187-F204 HydrophobicContact CE2-CD2 3.67Å; F187-F204 AromaticContact CE2-CG 3.72Å; F187-F204 HydrophobicContact CE2-CG 3.72Å; F187-F204 HydrophobicContact CG-CB 4.37Å; F187-F204 HydrophobicContact CZ-CB 3.3Å; F187-F204 HydrophobicContact CZ-CD2 4.24Å; F187-F204 AromaticContact CZ-CG 3.8Å; F187-F204 HydrophobicContact CZ-CG 3.8Å; F187-F204 PolarHBondContact N-O 3.28Å; F187-F204 VanDerWaalsContact N-O 3.11Å; F187-F204 PolarHBondContact O-N 3.5Å; Y189-F204 AromaticContact CD1-CE2 3.87Å; Y189-F204 HydrophobicContact CD1-CE2 3.87Å; Y189-F204 AromaticContact CE1-CE2 3.43Å; Y189-F204 HydrophobicContact CE1-CE2 3.43Å; Y189-F204 VanDerWaalsContact CE1-CE2 3.43Å; Y189-F204 AromaticContact CE1-CZ 3.75Å; Y189-F204 HydrophobicContact CE1-CZ 3.75Å; N202-F204 HydrophobicContact CB-CE2 3.75Å; N202-F204 HydrophobicContact CB-CZ 4.07Å; N202-F204 WeakPolarHBondContact O-CD2 3.2Å; N202-F204 VanDerWaalsContact O-CE2 3.31Å; N202-F204 WeakPolarHBondContact O-CE2 3.18Å
205	K	97.5	Very high	94	Very high	58 Å²	58	51.8 Å²	51.8	25%	0.252	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.8	166.8	-171.2	158.3	-172.5	118.4	0	109.9	K37 V39 D183 K185 I186	K37-K205 PolarHBondContact N-O 3.05Å; K37-K205 PolarHBondContact O-N 3.24Å; V39-K205 HydrophobicContact CG2-CB 4.34Å; D183-K205 IonicContact OD1-NZ 2.7Å; D183-K205 PolarHBondContact OD1-NZ 2.96Å; D183-K205 IonicContact OD2-NZ 3.44Å; D183-K205 PolarHBondContact OD2-NZ 2.95Å; K185-K205 HydrophobicContact CB-CG 4.5Å; K185-K205 CarbonylContact O-C 3.59Å; K185-K205 WeakPolarHBondContact O-CA 3.14Å; I186-K205 HydrophobicContact CD1-CB 3.72Å; I186-K205 HydrophobicContact CD1-CD 3.94Å; I186-K205 HydrophobicContact CD1-CG 3.92Å
206	A	97	Very high	94.4	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.033	20%	0.204	C	C	.	.			trans	-72.1	168.7	166.9	0	0	0	0	0	111.1	K185 F187 Q211 A212	K185-A206 PolarHBondContact O-N 3.37Å; F187-A206 HydrophobicContact CD1-CB 4.43Å; F187-A206 HydrophobicContact CE1-CB 4.14Å; A206-Q211 HydrophobicContact CB-CB 4.19Å; A206-Q211 HydrophobicContact CB-CG 4.26Å; A206-A212 HydrophobicContact CB-CB 3.8Å
207	Y	94.2	Very high	94.6	Very high	88 Å²	88	42.4 Å²	42.4	35%	0.345	20%	0.195	S	C	.	.	S	Bend	trans	-81.5	-43.1	176.2	-65.1	-98.6	0	0	0	111.4	C35 K37	C35-Y207 HydrophobicContact CB-CE2 3.99Å; C35-Y207 WeakPolarHBondContact O-CD2 3.24Å; C35-Y207 WeakPolarHBondContact O-CE2 3.4Å; K37-Y207 VanDerWaalsContact CE-CE1 3.46Å
208	K	93.9	Very high	95.1	Very high	58 Å²	58	39.7 Å²	39.7	25%	0.252	18%	0.176	S	C	.	.	S	Bend	trans	-120.6	158.8	176.4	-61.7	-155.9	176.1	-158.3	0	112.4	Q211 A212 D397 D399	K208-Q211 WeakPolarHBondContact O-CB 3.5Å; K208-Q211 PolarHBondContact O-N 3.02Å; K208-A212 PolarHBondContact O-N 3.38Å; K208-D397 WeakPolarHBondContact CD-OD1 3.17Å; K208-D397 VanDerWaalsContact CE-OD1 3.26Å; K208-D397 WeakPolarHBondContact CE-OD1 3.18Å; K208-D397 WeakPolarHBondContact CE-OD2 3.3Å; K208-D397 IonicContact NZ-OD1 3.27Å; K208-D397 PolarHBondContact NZ-OD1 2.8Å; K208-D397 IonicContact NZ-OD2 3.4Å; K208-D397 PolarHBondContact NZ-OD2 2.99Å; K208-D399 IonicContact NZ-OD1 2.63Å; K208-D399 PolarHBondContact NZ-OD1 3.32Å; K208-D399 IonicContact NZ-OD2 2.65Å
209	K	93.7	Very high	95.3	Very high	100 Å²	100	37.4 Å²	37.4	44%	0.435	16%	0.162	S	C	.	.	H	α-helix	trans	-55.5	-51.3	177.3	165.7	-175	167.8	-169.2	0	110.2	L184 Q211 A212 M213	L184-K209 HydrophobicContact CB-CD 4.48Å; L184-K209 HydrophobicContact CB-CG 3.99Å; L184-K209 HydrophobicContact CD1-CD 4.17Å; L184-K209 HydrophobicContact CD1-CG 4.5Å; K209-Q211 VanDerWaalsContact C-N 3.26Å; K209-Q211 PolarHBondContact O-N 2.98Å; K209-A212 PolarHBondContact O-N 2.94Å; K209-A212 VanDerWaalsContact O-N 3.11Å; K209-M213 PolarHBondContact O-N 2.92Å; K209-M213 VanDerWaalsContact O-N 3.07Å
210	L	91.4	Very high	95.2	Very high	78 Å²	78	37.9 Å²	37.9	41%	0.408	17%	0.172	S	C	.	.	H	α-helix	trans	-59.7	-35.2	-179	-54.1	179	0	0	0	112.4	D14 M213 R214	D14-L210 WeakPolarHBondContact OD2-CD1 3.48Å; D14-L210 WeakPolarHBondContact OD2-CD2 3.39Å; L210-M213 PolarHBondContact O-N 3.36Å; L210-R214 WeakPolarHBondContact O-CB 3.38Å; L210-R214 VanDerWaalsContact O-CG 3.32Å; L210-R214 WeakPolarHBondContact O-CG 3.49Å; L210-R214 PolarHBondContact O-N 3.43Å
211	Q	93.4	Very high	95.1	Very high	49 Å²	49	34.8 Å²	34.8	23%	0.229	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-41.6	175.9	-173.2	-177.7	52.5	0	0	112.3	C35 A206 K208 K209 R214 I215	C35-Q211 PolarHBondContact O-NE2 2.84Å; C35-Q211 PolarHBondContact O-OE1 3.38Å; A206-Q211 HydrophobicContact CB-CB 4.19Å; A206-Q211 HydrophobicContact CB-CG 4.26Å; K208-Q211 WeakPolarHBondContact O-CB 3.5Å; K208-Q211 PolarHBondContact O-N 3.02Å; K209-Q211 VanDerWaalsContact C-N 3.26Å; K209-Q211 PolarHBondContact O-N 2.98Å; Q211-R214 PolarHBondContact O-N 2.95Å; Q211-I215 HydrophobicContact CG-CD1 4.16Å; Q211-I215 WeakPolarHBondContact O-CD1 3.3Å; Q211-I215 VanDerWaalsContact O-CG1 3.23Å; Q211-I215 WeakPolarHBondContact O-CG1 3.42Å; Q211-I215 PolarHBondContact O-N 3.03Å
212	A	95.1	Very high	95.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-44.1	173.4	0	0	0	0	0	111.4	L184 F187 A206 K208 K209 R214 I215 V216	L184-A212 WeakPolarHBondContact O-CB 3.34Å; F187-A212 HydrophobicContact CD1-CB 3.94Å; A206-A212 HydrophobicContact CB-CB 3.8Å; K208-A212 PolarHBondContact O-N 3.38Å; K209-A212 PolarHBondContact O-N 2.94Å; K209-A212 VanDerWaalsContact O-N 3.11Å; A212-R214 PolarHBondContact O-N 3.02Å; A212-I215 PolarHBondContact O-N 3.16Å; A212-V216 WeakPolarHBondContact O-CG2 3.43Å; A212-V216 PolarHBondContact O-N 2.76Å
213	M	92.1	Very high	94.9	Very high	48 Å²	48	37.5 Å²	37.5	24%	0.236	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-42	176.8	-65.7	-60.5	-70.2	0	0	112.4	H179 K209 L210 V216 R217	H179-M213 PolarHBondContact ND1-SD 3.02Å; H179-M213 VanDerWaalsContact ND1-SD 3.38Å; K209-M213 PolarHBondContact O-N 2.92Å; K209-M213 VanDerWaalsContact O-N 3.07Å; L210-M213 PolarHBondContact O-N 3.36Å; M213-V216 PolarHBondContact O-N 2.82Å; M213-R217 WeakPolarHBondContact O-CG 3.42Å; M213-R217 PolarHBondContact O-N 3.46Å
214	R	93.8	Very high	94.7	Very high	111 Å²	111	41.7 Å²	41.7	42%	0.419	20%	0.195	S	C	.	.	H	α-helix	trans	-62.3	-44.3	174	-77.6	176.1	65.1	177.1	1.4	111.8	Y23 F34 L210 Q211 A212 R217 T218	Y23-R214 PolarHBondContact OH-NH2 3.4Å; F34-R214 HydrophobicContact CE1-CB 4.22Å; L210-R214 WeakPolarHBondContact O-CB 3.38Å; L210-R214 VanDerWaalsContact O-CG 3.32Å; L210-R214 WeakPolarHBondContact O-CG 3.49Å; L210-R214 PolarHBondContact O-N 3.43Å; Q211-R214 PolarHBondContact O-N 2.95Å; A212-R214 PolarHBondContact O-N 3.02Å; R214-R217 PolarHBondContact O-N 2.91Å; R214-T218 WeakPolarHBondContact O-CB 3.23Å; R214-T218 PolarHBondContact O-N 3.41Å; R214-T218 PolarHBondContact O-OG1 2.74Å
215	I	95.7	Very high	94.4	Very high	2 Å²	2	42 Å²	42	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-49.2	175.9	-70.2	162.7	0	0	0	110.6	F34 I78 F187 Q211 A212 R217 T218 V219	F34-I215 HydrophobicContact CB-CD1 3.85Å; F34-I215 HydrophobicContact CB-CG1 3.83Å; F34-I215 HydrophobicContact CD1-CD1 4.13Å; F34-I215 HydrophobicContact CD1-CG1 3.5Å; F34-I215 HydrophobicContact CD2-CG1 3.89Å; F34-I215 HydrophobicContact CE1-CG1 3.95Å; F34-I215 HydrophobicContact CE2-CG1 4.29Å; F34-I215 HydrophobicContact CG-CD1 4.05Å; F34-I215 HydrophobicContact CG-CG1 3.47Å; F34-I215 VanDerWaalsContact CG-CG1 3.47Å; F34-I215 HydrophobicContact CZ-CG1 4.32Å; I78-I215 HydrophobicContact CD1-CG2 4.26Å; F187-I215 HydrophobicContact CD1-CD1 4.48Å; F187-I215 HydrophobicContact CD2-CG2 3.95Å; F187-I215 HydrophobicContact CE1-CD1 3.62Å; F187-I215 HydrophobicContact CE1-CG2 4.39Å; F187-I215 HydrophobicContact CE2-CG2 3.56Å; F187-I215 HydrophobicContact CZ-CB 4.45Å; F187-I215 HydrophobicContact CZ-CD1 3.63Å; F187-I215 HydrophobicContact CZ-CG2 3.8Å; Q211-I215 HydrophobicContact CG-CD1 4.16Å; Q211-I215 WeakPolarHBondContact O-CD1 3.3Å; Q211-I215 VanDerWaalsContact O-CG1 3.23Å; Q211-I215 WeakPolarHBondContact O-CG1 3.42Å; Q211-I215 PolarHBondContact O-N 3.03Å; A212-I215 PolarHBondContact O-N 3.16Å; I215-R217 PolarHBondContact O-N 3.48Å; I215-T218 PolarHBondContact O-N 3.32Å; I215-T218 VanDerWaalsContact O-N 3.14Å; I215-V219 WeakPolarHBondContact O-CG2 3.35Å; I215-V219 PolarHBondContact O-N 2.94Å
216	V	95.5	Very high	94.2	Very high	24 Å²	24	40.4 Å²	40.4	15%	0.145	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-45.2	179.1	174.1	0	0	0	0	111.5	V177 F187 A212 M213 T218 V219 G220	V177-V216 HydrophobicContact CG1-CG1 4.46Å; V177-V216 HydrophobicContact CG2-CG1 4.37Å; V177-V216 HydrophobicContact CG2-CG2 4.24Å; F187-V216 HydrophobicContact CB-CG2 3.92Å; A212-V216 WeakPolarHBondContact O-CG2 3.43Å; A212-V216 PolarHBondContact O-N 2.76Å; M213-V216 PolarHBondContact O-N 2.82Å; V216-T218 VanDerWaalsContact C-N 3.32Å; V216-T218 PolarHBondContact O-N 3.44Å; V216-V219 PolarHBondContact O-N 3.29Å; V216-G220 PolarHBondContact O-N 2.77Å
217	R	93.8	Very high	94	Very high	56 Å²	56	44.4 Å²	44.4	21%	0.211	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-38.7	173.6	-75.3	-179	175	127.4	-11.3	112.4	L16 V22 M213 R214 I215 G220 Q221	L16-R217 PolarHBondContact O-NH2 3.14Å; V22-R217 HydrophobicContact CG2-CB 4.34Å; M213-R217 WeakPolarHBondContact O-CG 3.42Å; M213-R217 PolarHBondContact O-N 3.46Å; R214-R217 PolarHBondContact O-N 2.91Å; I215-R217 PolarHBondContact O-N 3.48Å; R217-G220 WeakPolarHBondContact O-CA 3.26Å; R217-G220 PolarHBondContact O-N 3.33Å; R217-Q221 PolarHBondContact O-N 3.38Å
218	T	95.7	Very high	93.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71	-40.6	-178.4	-50.8	0	0	0	0	112.1	Y23 F28 I32 F34 I78 R214 I215 V216 G220 Q221 A222	Y23-T218 HydrophobicContact CD2-CG2 4.13Å; Y23-T218 HydrophobicContact CE2-CG2 4.2Å; Y23-T218 WeakPolarHBondContact CE2-OG1 3.21Å; F28-T218 HydrophobicContact CE1-CG2 3.87Å; F28-T218 WeakPolarHBondContact CE1-O 3.4Å; F28-T218 HydrophobicContact CZ-CG2 4.12Å; I32-T218 HydrophobicContact CB-CG2 4.23Å; I32-T218 HydrophobicContact CD1-CG2 3.44Å; I32-T218 VanDerWaalsContact CD1-CG2 3.44Å; I32-T218 HydrophobicContact CG1-CG2 4.44Å; I32-T218 HydrophobicContact CG2-CG2 4.31Å; F34-T218 HydrophobicContact CE2-CG2 4.04Å; F34-T218 HydrophobicContact CZ-CG2 4.42Å; F34-T218 WeakPolarHBondContact CZ-OG1 3.27Å; I78-T218 HydrophobicContact CB-CG2 4.25Å; I78-T218 HydrophobicContact CD1-CG2 4.02Å; I78-T218 HydrophobicContact CG2-CG2 4.1Å; R214-T218 WeakPolarHBondContact O-CB 3.23Å; R214-T218 PolarHBondContact O-N 3.41Å; R214-T218 PolarHBondContact O-OG1 2.74Å; I215-T218 PolarHBondContact O-N 3.32Å; I215-T218 VanDerWaalsContact O-N 3.14Å; V216-T218 VanDerWaalsContact C-N 3.32Å; V216-T218 PolarHBondContact O-N 3.44Å; T218-G220 VanDerWaalsContact C-N 3.3Å; T218-Q221 PolarHBondContact O-N 3.45Å; T218-A222 PolarHBondContact O-N 2.87Å
219	V	96.5	Very high	93.6	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-38.9	170.4	-178.8	0	0	0	0	110.4	I78 V83 V177 I215 V216 Q221 A222 F223	I78-V219 HydrophobicContact CD1-CG2 3.61Å; I78-V219 HydrophobicContact CG1-CG2 4.23Å; I78-V219 HydrophobicContact CG2-CG2 4.41Å; V83-V219 HydrophobicContact CG2-CG2 4.32Å; V177-V219 HydrophobicContact CB-CB 4.47Å; V177-V219 HydrophobicContact CB-CG1 4.08Å; V177-V219 HydrophobicContact CG1-CB 4.2Å; V177-V219 HydrophobicContact CG1-CG1 3.96Å; V177-V219 HydrophobicContact CG2-CB 4.1Å; V177-V219 HydrophobicContact CG2-CG1 4.14Å; V177-V219 HydrophobicContact CG2-CG2 4.37Å; I215-V219 WeakPolarHBondContact O-CG2 3.35Å; I215-V219 PolarHBondContact O-N 2.94Å; V216-V219 PolarHBondContact O-N 3.29Å; V219-Q221 PolarHBondContact O-N 3.34Å; V219-A222 WeakPolarHBondContact O-CB 3.44Å; V219-A222 PolarHBondContact O-N 3.07Å; V219-F223 HydrophobicContact CG1-CD2 4.41Å; V219-F223 HydrophobicContact CG1-CE2 3.81Å; V219-F223 HydrophobicContact CG1-CZ 4.37Å; V219-F223 WeakPolarHBondContact O-CD2 3.48Å; V219-F223 PolarHBondContact O-N 3.48Å
220	G	94.6	Very high	93.4	Very high	25 Å²	25	41.9 Å²	41.9	26%	0.258	21%	0.21	S	C	.	.	H	α-helix	trans	-51.2	-53.4	171.2	0	0	0	0	0	112.6	V216 R217 T218 A222 F223 D224	V216-G220 PolarHBondContact O-N 2.77Å; R217-G220 WeakPolarHBondContact O-CA 3.26Å; R217-G220 PolarHBondContact O-N 3.33Å; T218-G220 VanDerWaalsContact C-N 3.3Å; G220-A222 PolarHBondContact O-N 3.03Å; G220-F223 WeakPolarHBondContact O-CB 3.44Å; G220-F223 PolarHBondContact O-N 3.39Å; G220-D224 PolarHBondContact O-N 2.99Å
221	Q	93.5	Very high	93.3	Very high	25 Å²	25	41.9 Å²	41.9	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-69.9	-30.3	-179.4	-73.2	161.7	9.3	0	0	112.9	I20 F28 R217 T218 V219 F223 D224 V225	I20-Q221 PolarHBondContact O-NE2 3.49Å; F28-Q221 HydrophobicContact CE2-CB 4.29Å; F28-Q221 HydrophobicContact CZ-CB 3.69Å; R217-Q221 PolarHBondContact O-N 3.38Å; T218-Q221 PolarHBondContact O-N 3.45Å; V219-Q221 PolarHBondContact O-N 3.34Å; Q221-F223 VanDerWaalsContact C-N 3.26Å; Q221-F223 PolarHBondContact O-N 2.96Å; Q221-D224 PolarHBondContact O-N 3.14Å; Q221-V225 WeakPolarHBondContact O-CG2 3.11Å; Q221-V225 PolarHBondContact O-N 2.87Å
222	A	95.6	Very high	93.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-33.5	171.3	0	0	0	0	0	112.5	F28 I78 I171 T218 V219 G220 C226	F28-A222 HydrophobicContact CD1-CB 4.02Å; F28-A222 HydrophobicContact CE1-CB 3.81Å; I78-A222 HydrophobicContact CG2-CB 3.88Å; I171-A222 HydrophobicContact CD1-CB 3.74Å; I171-A222 HydrophobicContact CG1-CB 4.18Å; T218-A222 PolarHBondContact O-N 2.87Å; V219-A222 WeakPolarHBondContact O-CB 3.44Å; V219-A222 PolarHBondContact O-N 3.07Å; G220-A222 PolarHBondContact O-N 3.03Å; A222-C226 WeakPolarHBondContact O-CB 3.29Å; A222-C226 PolarHBondContact O-N 2.69Å
223	F	94.8	Very high	92.5	Very high	56 Å²	56	52.2 Å²	52.2	25%	0.246	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-48.7	171.5	-69.4	-70	0	0	0	112	I171 I174 V177 V219 G220 Q221 V225 C226 H227	I171-F223 HydrophobicContact CG2-CB 4.45Å; I171-F223 HydrophobicContact CG2-CD1 3.43Å; I171-F223 VanDerWaalsContact CG2-CD1 3.43Å; I171-F223 HydrophobicContact CG2-CE1 3.89Å; I171-F223 HydrophobicContact CG2-CG 4.06Å; I171-F223 WeakPolarHBondContact O-CE1 3.5Å; I174-F223 HydrophobicContact CB-CE1 4.01Å; I174-F223 HydrophobicContact CB-CZ 3.75Å; I174-F223 HydrophobicContact CG2-CZ 3.76Å; I174-F223 WeakPolarHBondContact O-CE1 3.46Å; I174-F223 VanDerWaalsContact O-CZ 3.31Å; I174-F223 WeakPolarHBondContact O-CZ 3.23Å; V177-F223 HydrophobicContact CG1-CE2 4.14Å; V219-F223 HydrophobicContact CG1-CD2 4.41Å; V219-F223 HydrophobicContact CG1-CE2 3.81Å; V219-F223 HydrophobicContact CG1-CZ 4.37Å; V219-F223 WeakPolarHBondContact O-CD2 3.48Å; V219-F223 PolarHBondContact O-N 3.48Å; G220-F223 WeakPolarHBondContact O-CB 3.44Å; G220-F223 PolarHBondContact O-N 3.39Å; Q221-F223 VanDerWaalsContact C-N 3.26Å; Q221-F223 PolarHBondContact O-N 2.96Å; F223-V225 VanDerWaalsContact C-N 3.31Å; F223-V225 PolarHBondContact O-N 3.43Å; F223-C226 PolarHBondContact O-N 3.43Å; F223-H227 WeakPolarHBondContact O-CB 3.02Å; F223-H227 PolarHBondContact O-N 3.23Å
224	D	93	Very high	91.8	Very high	88 Å²	88	56.2 Å²	56.2	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-40	-179.8	-69.8	-49.7	0	0	0	111.8	G220 Q221 R228	G220-D224 PolarHBondContact O-N 2.99Å; Q221-D224 PolarHBondContact O-N 3.14Å; D224-R228 VanDerWaalsContact O-CB 3.3Å; D224-R228 WeakPolarHBondContact O-CB 2.94Å; D224-R228 PolarHBondContact O-N 3.11Å; D224-R228 VanDerWaalsContact O-N 3.07Å; D224-R228 PolarHBondContact O-NH1 2.66Å
225	V	92.2	Very high	90.2	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-50.9	175.1	173.9	0	0	0	0	111.1	F28 A80 Q221 F223 H227 R228 I229	F28-V225 HydrophobicContact CB-CG1 4.28Å; F28-V225 HydrophobicContact CD2-CG2 3.93Å; F28-V225 HydrophobicContact CE2-CG2 4.23Å; F28-V225 HydrophobicContact CG-CG2 4.32Å; A80-V225 HydrophobicContact CB-CG1 3.95Å; Q221-V225 WeakPolarHBondContact O-CG2 3.11Å; Q221-V225 PolarHBondContact O-N 2.87Å; F223-V225 VanDerWaalsContact C-N 3.31Å; F223-V225 PolarHBondContact O-N 3.43Å; V225-H227 VanDerWaalsContact C-N 3.33Å; V225-H227 PolarHBondContact O-N 3.37Å; V225-R228 PolarHBondContact O-N 3.42Å; V225-I229 HydrophobicContact CG1-CD1 3.77Å; V225-I229 WeakPolarHBondContact O-CG1 3.4Å; V225-I229 PolarHBondContact O-N 2.84Å
226	C	93.3	Very high	88.2	Confident	26 Å²	26	61.7 Å²	61.7	18%	0.176	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-41.2	-179.9	-170	0	0	0	0	111.9	A80 I171 A222 F223 I229 A230	A80-C226 PolarHBondContact O-SG 3.37Å; I171-C226 HydrophobicContact CB-CB 3.97Å; I171-C226 HydrophobicContact CG1-CB 4.44Å; I171-C226 HydrophobicContact CG2-CB 3.68Å; A222-C226 WeakPolarHBondContact O-CB 3.29Å; A222-C226 PolarHBondContact O-N 2.69Å; F223-C226 PolarHBondContact O-N 3.43Å; C226-I229 PolarHBondContact O-N 3.29Å; C226-A230 WeakPolarHBondContact O-CB 3.5Å; C226-A230 PolarHBondContact O-N 2.96Å
227	H	91.4	Very high	85.6	Confident	87 Å²	87	68.1 Å²	68.1	40%	0.403	35%	0.351	S	S	.	.	H	α-helix	trans	-64.7	-42.1	175.7	-178.6	-95.7	0	0	0	112.2	F223 V225 A230 L231	F223-H227 WeakPolarHBondContact O-CB 3.02Å; F223-H227 PolarHBondContact O-N 3.23Å; V225-H227 VanDerWaalsContact C-N 3.33Å; V225-H227 PolarHBondContact O-N 3.37Å; H227-A230 PolarHBondContact O-N 2.9Å; H227-L231 WeakPolarHBondContact O-CG 3.49Å; H227-L231 PolarHBondContact O-N 3.4Å
228	R	91.2	Very high	83	Confident	92 Å²	92	70.2 Å²	70.2	35%	0.347	37%	0.371	S	S	.	.	H	α-helix	trans	-61.7	-43.2	174.7	169.7	162.9	55.7	-94.4	9.7	112.2	D25 D224 V225 L231 Q232	D25-R228 IonicContact OD1-CZ 3.97Å; D25-R228 IonicContact OD1-NH2 2.88Å; D25-R228 PolarHBondContact OD1-NH2 3.11Å; D25-R228 IonicContact OD2-CZ 3.19Å; D25-R228 IonicContact OD2-NE 2.84Å; D25-R228 PolarHBondContact OD2-NE 2.87Å; D25-R228 IonicContact OD2-NH2 2.74Å; D25-R228 PolarHBondContact OD2-NH2 2.84Å; D224-R228 VanDerWaalsContact O-CB 3.3Å; D224-R228 WeakPolarHBondContact O-CB 2.94Å; D224-R228 PolarHBondContact O-N 3.11Å; D224-R228 VanDerWaalsContact O-N 3.07Å; D224-R228 PolarHBondContact O-NH1 2.66Å; V225-R228 PolarHBondContact O-N 3.42Å; R228-L231 PolarHBondContact O-N 3.42Å; R228-Q232 WeakPolarHBondContact O-CG 3.34Å; R228-Q232 PolarHBondContact O-N 3.4Å; R228-Q232 VanDerWaalsContact O-N 3.1Å
229	I	89.2	Confident	80	Confident	56 Å²	56	79.6 Å²	79.6	29%	0.287	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-38.6	174.3	-66.2	165	0	0	0	111.4	A80 V225 C226 Q232 K233	A80-I229 HydrophobicContact CB-CD1 3.87Å; V225-I229 HydrophobicContact CG1-CD1 3.77Å; V225-I229 WeakPolarHBondContact O-CG1 3.4Å; V225-I229 PolarHBondContact O-N 2.84Å; C226-I229 PolarHBondContact O-N 3.29Å; I229-Q232 PolarHBondContact O-N 2.98Å; I229-K233 HydrophobicContact CG2-CD 4.3Å; I229-K233 WeakPolarHBondContact O-CG 3.45Å; I229-K233 PolarHBondContact O-N 3.17Å; I229-K233 VanDerWaalsContact O-N 3.11Å
230	A	89.6	Confident	77.2	Confident	46 Å²	46	85.4 Å²	85.4	38%	0.38	45%	0.451	S	S	.	.	H	α-helix	trans	-64.9	-40	177.4	0	0	0	0	0	112.5	C226 H227 K233 Q234	C226-A230 WeakPolarHBondContact O-CB 3.5Å; C226-A230 PolarHBondContact O-N 2.96Å; H227-A230 PolarHBondContact O-N 2.9Å; A230-K233 PolarHBondContact O-N 2.79Å; A230-Q234 PolarHBondContact O-N 2.85Å
231	L	90	Very high	74.3	Confident	78 Å²	78	90 Å²	90	41%	0.408	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-43.3	174	-69.7	174.6	0	0	0	112.1	H227 R228 K233 Q234 G235	H227-L231 WeakPolarHBondContact O-CG 3.49Å; H227-L231 PolarHBondContact O-N 3.4Å; R228-L231 PolarHBondContact O-N 3.42Å; L231-K233 VanDerWaalsContact C-N 3.3Å; L231-K233 PolarHBondContact O-N 3.04Å; L231-Q234 WeakPolarHBondContact O-CB 3.4Å; L231-Q234 PolarHBondContact O-N 2.85Å; L231-G235 PolarHBondContact O-N 3.28Å
232	Q	88.3	Confident	71.8	Confident	112 Å²	112	96 Å²	96	52%	0.523	50%	0.502	S	S	.	.	H	α-helix	trans	-58.2	-42.4	176.8	-73.7	167.6	-24.3	0	0	111.8	R228 I229 Q234 G235 Q236	R228-Q232 WeakPolarHBondContact O-CG 3.34Å; R228-Q232 PolarHBondContact O-N 3.4Å; R228-Q232 VanDerWaalsContact O-N 3.1Å; I229-Q232 PolarHBondContact O-N 2.98Å; Q232-Q234 PolarHBondContact O-N 2.97Å; Q232-G235 PolarHBondContact O-N 3.37Å; Q232-G235 VanDerWaalsContact O-N 3.14Å; Q232-Q236 PolarHBondContact O-N 3.45Å
233	K	83	Confident	69	Low	153 Å²	153	102.8 Å²	102.8	67%	0.665	54%	0.538	S	S	*	.	H	α-helix	trans	-67.4	-16.9	176.2	-70.8	178.2	179.2	-176.9	0	114.4	I229 A230 L231	I229-K233 HydrophobicContact CG2-CD 4.3Å; I229-K233 WeakPolarHBondContact O-CG 3.45Å; I229-K233 PolarHBondContact O-N 3.17Å; I229-K233 VanDerWaalsContact O-N 3.11Å; A230-K233 PolarHBondContact O-N 2.79Å; L231-K233 VanDerWaalsContact C-N 3.3Å; L231-K233 PolarHBondContact O-N 3.04Å
234	Q	76.5	Confident	66.2	Low	132 Å²	132	107.9 Å²	107.9	62%	0.617	57%	0.568	S	S	*	*	H	α-helix	trans	-86	-27.7	172.1	-70.6	175.7	-9.9	0	0	112.3	A230 L231 Q232	A230-Q234 PolarHBondContact O-N 2.85Å; L231-Q234 WeakPolarHBondContact O-CB 3.4Å; L231-Q234 PolarHBondContact O-N 2.85Å; Q232-Q234 PolarHBondContact O-N 2.97Å
235	G	61.9	Low	63.7	Low	67 Å²	67	110.9 Å²	110.9	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-83.6	-6.6	177.1	0	0	0	0	0	115.4	L231 Q232	L231-G235 PolarHBondContact O-N 3.28Å; Q232-G235 PolarHBondContact O-N 3.37Å; Q232-G235 VanDerWaalsContact O-N 3.14Å
236	Q	53.6	Low	61.1	Low	161 Å²	161	117.7 Å²	117.7	75%	0.752	62%	0.62	S	S	*	*			trans	-118.5	46	-178.6	-68.2	-175.8	-29.7	0	0	112.4	Q232	Q232-Q236 PolarHBondContact O-N 3.45Å
237	Q	39.2	Very low	58.6	Low	160 Å²	160	120.2 Å²	120.2	75%	0.748	65%	0.651	S	S	*	*			trans	-75	132.2	153.9	-75.8	-70	-18.5	0	0	107.9	E239	Q237-E239 PolarHBondContact O-N 3.38Å
238	P	39.6	Very low	56.2	Low	99 Å²	99	122.4 Å²	122.4	64%	0.643	67%	0.666	S	S	*	*			trans	-73.5	129	-171.6	28.4	-34.1	0	0	0	111.9	T240	P238-T240 PolarHBondContact O-N 2.93Å; P238-T240 VanDerWaalsContact O-N 3.14Å
239	E	32.8	Very low	53.7	Low	198 Å²	198	124.9 Å²	124.9	93%	0.925	69%	0.686	S	S	*	*			trans	-69.4	102.7	158.8	-68	-170.2	173	0	0	108.3	Q237	Q237-E239 PolarHBondContact O-N 3.38Å
240	T	37.2	Very low	51.4	Low	126 Å²	126	127.8 Å²	127.8	77%	0.773	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-78.5	122.4	169.9	40.6	0	0	0	0	110.1	P238 E242	P238-T240 PolarHBondContact O-N 2.93Å; P238-T240 VanDerWaalsContact O-N 3.14Å; T240-E242 PolarHBondContact O-N 3.29Å
241	T	34.3	Very low	49.1	Very low	121 Å²	121	132.3 Å²	132.3	74%	0.742	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-46	119.6	-178.5	-46.1	0	0	0	0	114.2
242	E	40.8	Very low	46.8	Very low	153 Å²	153	135.9 Å²	135.9	72%	0.715	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-102.4	128.8	149.5	-78.5	-165.4	166.6	0	0	108.9	T240 N244	T240-E242 PolarHBondContact O-N 3.29Å; E242-N244 PolarHBondContact O-N 3.11Å
243	N	36.9	Very low	44.4	Very low	141 Å²	141	136.1 Å²	136.1	75%	0.754	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-63	121	-162.6	-57.2	-45.9	0	0	0	114.2
244	N	36.6	Very low	42.3	Very low	164 Å²	164	136.6 Å²	136.6	88%	0.877	75%	0.753	S	S	*	*			trans	-94.8	106.1	146.7	-82.4	-31.6	0	0	0	107.8	E242	E242-N244 PolarHBondContact O-N 3.11Å
245	N	40.8	Very low	40.4	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	76%	0.762	S	S	*	*			trans	-148.8	126.5	164.4	-108.8	-28.7	0	0	0	110.8
246	N	37.9	Very low	39.5	Very low	149 Å²	149	139.6 Å²	139.6	80%	0.797	76%	0.757	S	S	*	*			trans	-53.5	132	-166.9	-53.7	-30.7	0	0	0	114.5
247	G	40.1	Very low	38.8	Very low	79 Å²	79	137.8 Å²	137.8	81%	0.814	75%	0.752	S	S	*	*			trans	-115.9	97.6	153.4	0	0	0	0	0	108.4
248	N	39.7	Very low	39.1	Very low	134 Å²	134	136.9 Å²	136.9	72%	0.717	75%	0.748	S	S	*	*			trans	-77.1	163	171.3	-78.4	-7.5	0	0	0	110.4
249	N	38.6	Very low	39	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	75%	0.75	S	S	*	*			trans	87.5	112.1	159.1	-60.9	-15.5	0	0	0	118.8
250	V	42.8	Very low	39.4	Very low	117 Å²	117	134.1 Å²	134.1	71%	0.709	73%	0.734	S	S	*	*				94.5	128.3	114.3	168	0	0	0	0	118.7
251	D	40.9	Very low	39.6	Very low	141 Å²	141	135.2 Å²	135.2	75%	0.754	73%	0.734	S	S	*	*			trans	84.5	115.1	153.8	-67.6	-7.6	0	0	0	124.7
252	E	40.8	Very low	39.8	Very low	154 Å²	154	135.7 Å²	135.7	72%	0.72	73%	0.728	S	S	*	*			trans	76.8	105.6	133.9	-60.7	-151.6	125.4	0	0	123.1
253	N	37.6	Very low	39.7	Very low	116 Å²	116	136 Å²	136	62%	0.62	73%	0.727	S	S	*	*				52.1	108.4	114.8	-49.5	-29.5	0	0	0	118.9
254	N	39.2	Very low	39.7	Very low	163 Å²	163	133.8 Å²	133.8	87%	0.872	72%	0.722	S	S	*	*				177.2	139.4	96.3	-87.4	-58.8	0	0	0	113.2
255	E	38.2	Very low	39.7	Very low	172 Å²	172	131.6 Å²	131.6	80%	0.804	71%	0.71	S	S	*	*			trans	-89.3	-176.1	165.6	-85.2	-86.3	151.3	0	0	109.4
256	P	41	Very low	39.5	Very low	90 Å²	90	132.9 Å²	132.9	58%	0.584	71%	0.709	S	S	*	*			cis	-136.4	-168.9	1.4	39.4	-19	0	0	0	115.7
257	D	39.7	Very low	39.2	Very low	123 Å²	123	135.1 Å²	135.1	66%	0.658	71%	0.711	S	S	*	*			trans	71.6	152.5	139.6	-73.1	-19	0	0	0	121.2
258	Q	45.2	Very low	38.7	Very low	142 Å²	142	136.3 Å²	136.3	66%	0.664	70%	0.703	S	S	*	*			cis	-156.2	155.7	-2.8	-125.8	161.7	43.9	0	0	111.3
259	D	38.9	Very low	38	Very low	127 Å²	127	135.4 Å²	135.4	68%	0.679	70%	0.702	S	S	*	*			trans	56.8	154.8	137.6	-79.6	28.4	0	0	0	124.5
260	N	39.6	Very low	37.5	Very low	112 Å²	112	135.3 Å²	135.3	60%	0.599	70%	0.702	S	S	*	*			cis	-162.5	160.9	-28.4	-128.7	-31	0	0	0	111.3
261	I	42.2	Very low	37	Very low	148 Å²	148	135.4 Å²	135.4	76%	0.759	70%	0.703	S	S	*	*			trans	54	158.4	147	-71.3	157.8	0	0	0	120.7
262	E	37.6	Very low	36.6	Very low	132 Å²	132	134.4 Å²	134.4	62%	0.617	70%	0.702	S	S	*	*				-159.1	176.5	-61.6	-140.2	-160.8	168.8	0	0	108.5
263	K	40.3	Very low	36.5	Very low	160 Å²	160	133.3 Å²	133.3	70%	0.696	70%	0.7	S	S	*	*			trans	24.7	141.1	151.5	-71.4	174.6	-170.1	128.5	0	120.9
264	S	35.5	Very low	36.5	Very low	94 Å²	94	132.5 Å²	132.5	66%	0.657	70%	0.695	S	S	*	*			cis	177	162.9	5.4	47.9	0	0	0	0	111.8
265	D	37.6	Very low	36.6	Very low	117 Å²	117	130.9 Å²	130.9	63%	0.626	68%	0.682	S	S	*	*			trans	69.7	106.7	139.2	-77.2	23.2	0	0	0	123.9
266	K	37.2	Very low	36.5	Very low	177 Å²	177	127.9 Å²	127.9	77%	0.77	68%	0.676	S	S	*	*				87.8	126.9	126.8	-65.5	-178.5	177.9	99.3	0	120.9
267	K	29.9	Very low	36.4	Very low	197 Å²	197	129.8 Å²	129.8	86%	0.857	68%	0.681	S	S	*	*			trans	95.5	140.8	141.7	-138.3	-170.5	-179.7	-175.8	0	117.6
268	T	29.3	Very low	36.4	Very low	104 Å²	104	128.6 Å²	128.6	64%	0.638	68%	0.683	S	S	*	*			trans	81.8	89.2	153.5	-42.3	0	0	0	0	119.3
269	T	25.5	Very low	36.2	Very low	114 Å²	114	126 Å²	126	70%	0.699	68%	0.68	S	S	*	*			trans	59.5	133.3	134.6	61.9	0	0	0	0	124.3
270	N	29.1	Very low	36.1	Very low	141 Å²	141	126.5 Å²	126.5	75%	0.754	68%	0.683	S	S	*	*			trans	85.5	103.7	134.1	-66.1	8	0	0	0	123.7
271	T	31.1	Very low	36.1	Very low	120 Å²	120	128.9 Å²	128.9	74%	0.736	69%	0.688	S	S	*	*				79.5	141.6	123.6	-32.2	0	0	0	0	123
272	T	33.9	Very low	36	Very low	119 Å²	119	127.8 Å²	127.8	73%	0.73	68%	0.683	S	S	*	*			trans	115.6	137.3	131.6	-10.6	0	0	0	0	122.3
273	I	37.8	Very low	36.1	Very low	132 Å²	132	127.5 Å²	127.5	68%	0.677	69%	0.685	S	S	*	*			trans	99.6	98	150.5	-55.6	-174.5	0	0	0	122.8
274	N	36.7	Very low	36.1	Very low	99 Å²	99	126.1 Å²	126.1	53%	0.529	69%	0.685	S	S	.	*				47.2	141.6	127.4	-45.8	1.2	0	0	0	125.6
275	H	41.3	Very low	36.4	Very low	129 Å²	129	126.2 Å²	126.2	60%	0.597	69%	0.686	S	S	*	*				156.5	109.4	98	-107	-64.5	0	0	0	116.3
276	T	36.4	Very low	36.4	Very low	108 Å²	108	127.8 Å²	127.8	66%	0.663	70%	0.695	S	S	*	*			trans	62	159	136.7	44.9	0	0	0	0	120.5
277	D	38.9	Very low	36.3	Very low	130 Å²	130	127.7 Å²	127.7	70%	0.695	69%	0.694	S	S	*	*			cis	-155.2	174.1	2	-141.3	-82.3	0	0	0	114.2
278	S	40.6	Very low	36.5	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	69%	0.689	S	S	*	*			trans	52.4	139.5	147.8	-78.8	0	0	0	0	124.3
279	S	40.8	Very low	36.9	Very low	87 Å²	87	125.3 Å²	125.3	61%	0.608	69%	0.69	S	S	*	*			cis	-169.8	163.6	-14.2	61.9	0	0	0	0	112.5
280	N	37.7	Very low	37.6	Very low	138 Å²	138	128.4 Å²	128.4	74%	0.738	69%	0.694	S	S	*	*			trans	73.4	139.3	152.3	-64.2	-36.4	0	0	0	119.3
281	K	39.1	Very low	38.1	Very low	162 Å²	162	128.7 Å²	128.7	70%	0.704	69%	0.691	S	S	*	*			cis	-163.3	143.7	3.6	-126.2	-169.1	175.2	-169.7	0	113.8
282	L	38.8	Very low	38.3	Very low	124 Å²	124	130.2 Å²	130.2	65%	0.649	69%	0.694	S	S	*	*			trans	63.2	150.1	151.4	-50.3	-171.2	0	0	0	118.9
283	D	39.7	Very low	38.6	Very low	127 Å²	127	127.3 Å²	127.3	68%	0.679	69%	0.688	S	S	*	*			cis	-167.7	163	-11.9	-98.7	-13.5	0	0	0	107.1
284	D	41.5	Very low	38.7	Very low	130 Å²	130	128 Å²	128	70%	0.695	69%	0.693	S	S	*	*			cis	-154.2	154.2	1.5	-155.2	-19.9	0	0	0	110.9
285	S	41.4	Very low	39.1	Very low	96 Å²	96	128.6 Å²	128.6	67%	0.671	70%	0.695	S	S	*	*			trans	63.4	143	151.1	84.7	0	0	0	0	120.7
286	N	37	Very low	39.1	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	70%	0.699	S	S	*	*			cis	-161.7	170	-13.4	-129.1	-47.5	0	0	0	113.7
287	K	36.5	Very low	39.4	Very low	174 Å²	174	130 Å²	130	76%	0.757	70%	0.698	S	S	*	*			trans	76.3	106.3	169.1	-80	-173.5	171.2	177.8	0	121.4
288	L	33.9	Very low	39.5	Very low	144 Å²	144	131.6 Å²	131.6	75%	0.754	70%	0.701	S	S	*	*			trans	64.9	127.8	132.2	-86.5	47.9	0	0	0	119.8
289	T	37.9	Very low	39.2	Very low	108 Å²	108	135.3 Å²	135.3	66%	0.663	71%	0.705	S	S	*	*			cis	-167.1	128.9	-1.9	-2.2	0	0	0	0	112.6
290	K	38.5	Very low	38.9	Very low	178 Å²	178	136.5 Å²	136.5	77%	0.774	71%	0.709	S	S	*	*			trans	49.7	143.7	145.5	-61.5	177.9	176.1	-174.9	0	120.9
291	H	39.4	Very low	38.8	Very low	148 Å²	148	139 Å²	139	69%	0.685	71%	0.713	S	S	*	*			cis	-164	153.9	-5.8	-114.5	-54	0	0	0	112.3
292	N	36.7	Very low	38.6	Very low	152 Å²	152	135.9 Å²	135.9	81%	0.813	71%	0.712	S	S	*	*			trans	-17.5	168.4	164.3	-39.9	8	0	0	0	121.2
293	G	39.7	Very low	38.5	Very low	57 Å²	57	138.4 Å²	138.4	59%	0.588	72%	0.718	S	S	*	*			cis	156.4	140.5	-9.9	0	0	0	0	0	117.1
294	D	41.1	Very low	38.2	Very low	146 Å²	146	140 Å²	140	78%	0.781	72%	0.721	S	S	*	*			trans	76.7	143.9	140.6	-81.2	-18.8	0	0	0	130.4
295	L	44.8	Very low	37.8	Very low	112 Å²	112	141.8 Å²	141.8	59%	0.586	72%	0.722	S	S	*	*			trans	94.2	115.1	139.2	-78.5	162.8	0	0	0	127.5
296	N	40.4	Very low	37.3	Very low	126 Å²	126	144.4 Å²	144.4	67%	0.674	72%	0.722	S	S	*	*			trans	20	155.6	141	-58.3	-11.2	0	0	0	124
297	H	43.7	Very low	37.1	Very low	141 Å²	141	145.9 Å²	145.9	65%	0.653	72%	0.721	S	S	*	*			cis	-168.4	149.9	47.1	-115.3	-73.9	0	0	0	115.9
298	H	40	Very low	37	Very low	164 Å²	164	145.4 Å²	145.4	76%	0.759	72%	0.721	S	S	*	*			trans	61.5	163.8	152.3	-70.4	-34.5	0	0	0	120.7
299	K	35.2	Very low	36.9	Very low	176 Å²	176	147.1 Å²	147.1	77%	0.765	73%	0.725	S	S	*	*			cis	-156.1	150.4	13.5	-144.9	-176.5	-174.7	172.8	0	112.9
300	T	34.7	Very low	36.7	Very low	113 Å²	113	150.5 Å²	150.5	69%	0.693	73%	0.731	S	S	*	*			trans	62.9	159.5	157.4	42.5	0	0	0	0	120
301	K	34.1	Very low	36.2	Very low	189 Å²	189	147.7 Å²	147.7	82%	0.822	73%	0.729	S	S	*	*			cis	-160.2	153.2	2.8	-125.6	159.8	-173.6	180	0	111
302	S	36.4	Very low	35.9	Very low	98 Å²	98	148.2 Å²	148.2	69%	0.685	74%	0.735	S	S	*	*			trans	66	140.8	144.7	-172.8	0	0	0	0	120.4
303	K	36.6	Very low	35.6	Very low	176 Å²	176	148.7 Å²	148.7	77%	0.765	73%	0.73	S	S	*	*			cis	-162	147.6	-4.7	-113.8	171.8	-171.6	176.9	0	110.9
304	H	32.2	Very low	35.3	Very low	160 Å²	160	153.9 Å²	153.9	74%	0.741	74%	0.739	S	S	*	*			trans	54.3	152.3	154.9	-67.6	-54.5	0	0	0	121.6
305	K	33.3	Very low	34.7	Very low	169 Å²	169	154.7 Å²	154.7	74%	0.735	74%	0.738	S	S	*	*			cis	-150.5	141.8	-2.7	-137.1	170.7	178.5	-173.1	0	110.2
306	F	31.2	Very low	34.1	Very low	151 Å²	151	158.1 Å²	158.1	66%	0.662	75%	0.748	S	S	*	*			trans	41.3	134.1	145.4	-79.1	-126.3	0	0	0	120.9
307	K	32.7	Very low	33.5	Very low	181 Å²	181	158.2 Å²	158.2	79%	0.787	75%	0.753	S	S	*	*			cis	56.6	131.9	3.9	-100.3	-169.7	177.1	-176	0	114.9
308	Q	35	Very low	33	Very low	164 Å²	164	157.9 Å²	157.9	77%	0.766	76%	0.76	S	S	*	*			cis	-143.8	167.4	16.8	-51.2	-175.5	64.7	0	0	107.8
309	H	32	Very low	32.4	Very low	180 Å²	180	156.7 Å²	156.7	83%	0.833	76%	0.76	S	S	*	*			cis	66.9	121.3	44.4	-117.1	-59.8	0	0	0	116.6
310	K	33.5	Very low	32.4	Very low	180 Å²	180	156.5 Å²	156.5	78%	0.783	77%	0.766	S	S	*	*			trans	102.6	107.3	139.7	-157.6	175.7	-175.9	-177.6	0	120.6
311	T	27.1	Very low	32.1	Very low	118 Å²	118	159.7 Å²	159.7	72%	0.724	77%	0.77	S	S	*	*				34	124.4	129.6	-39.4	0	0	0	0	121.4
312	I	32.7	Very low	32	Very low	159 Å²	159	157.4 Å²	157.4	82%	0.815	77%	0.767	S	S	*	*			trans	161.6	155.4	137.3	-88.6	153.7	0	0	0	107.6
313	K	31.4	Very low	31.9	Very low	163 Å²	163	157.5 Å²	157.5	71%	0.709	76%	0.76	S	S	*	*			cis	167.8	149.2	-34.5	-143.6	-171.1	179.7	-172.8	0	105.4
314	Q	33.4	Very low	31.8	Very low	166 Å²	166	158.4 Å²	158.4	78%	0.776	76%	0.758	S	S	*	*			trans	80.9	145.4	158.3	-68.5	169	-70.1	0	0	121
315	E	28.8	Very low	31.8	Very low	163 Å²	163	158.6 Å²	158.6	76%	0.762	76%	0.757	S	S	*	*			trans	-94.6	161.5	179	-30.8	109.4	104.2	0	0	111.9
316	K	31.1	Very low	31.8	Very low	184 Å²	184	156.1 Å²	156.1	80%	0.8	75%	0.751	S	S	*	*				-177.4	130.2	106.3	-100.9	176.9	-180	-179.3	0	115
317	V	29.5	Very low	32	Very low	127 Å²	127	155.3 Å²	155.3	77%	0.77	75%	0.749	S	S	*	*				20.1	123.8	123.8	-172.1	0	0	0	0	117.8
318	V	33.2	Very low	32	Very low	135 Å²	135	153.4 Å²	153.4	82%	0.818	74%	0.741	S	S	*	*				-170	147	119.1	141.2	0	0	0	0	110.5
319	N	26.1	Very low	32.1	Very low	139 Å²	139	151.7 Å²	151.7	74%	0.743	73%	0.733	S	S	*	*			trans	-68.1	157.7	173.1	-67	-55.8	0	0	0	111.7
320	L	35	Very low	32.3	Very low	172 Å²	172	152.1 Å²	152.1	90%	0.901	73%	0.727	S	S	*	*				-166.4	160	104.9	-120.7	85.7	0	0	0	113.7
321	K	29.7	Very low	32.4	Very low	180 Å²	180	148.3 Å²	148.3	78%	0.783	72%	0.715	S	S	*	*			trans	-80.3	163.5	-171.9	-68	175.5	170.8	177.5	0	114.3
322	N	30.9	Very low	32.7	Very low	140 Å²	140	152.7 Å²	152.7	75%	0.749	72%	0.718	S	S	*	*			trans	71.8	158.9	153.7	-62.5	0.5	0	0	0	115.5
323	D	34.4	Very low	32.7	Very low	100 Å²	100	152.7 Å²	152.7	54%	0.535	71%	0.712	S	S	.	*			cis	-158.5	160.4	11.3	-141.9	-14.1	0	0	0	112.5
324	R	34.4	Very low	32.7	Very low	195 Å²	195	149.3 Å²	149.3	74%	0.736	71%	0.705	S	S	*	*			trans	67.1	158.5	153.6	-63.8	160.3	-151.3	-173.8	14.3	118.8
325	K	33.4	Very low	32.6	Very low	165 Å²	165	146.1 Å²	146.1	72%	0.717	70%	0.698	S	S	*	*			cis	-171.7	149.1	-20.6	-110.5	176.9	171.2	-172.6	0	110.3
326	I	33	Very low	33	Very low	116 Å²	116	146 Å²	146	60%	0.595	70%	0.697	S	S	*	*			trans	68.8	154.6	145.1	-66.1	171.6	0	0	0	114.6
327	E	34.6	Very low	33	Very low	135 Å²	135	143.1 Å²	143.1	63%	0.631	69%	0.69	S	S	*	*			cis	-137.7	117.2	20.7	-157.8	92.5	-125.4	0	0	110.7
328	K	33	Very low	33.2	Very low	141 Å²	141	138.5 Å²	138.5	61%	0.613	66%	0.663	S	S	*	*				58.8	152.1	103.1	-46.7	-179.4	-169.1	143.6	0	120.8
329	H	36.3	Very low	33.3	Very low	128 Å²	128	136.8 Å²	136.8	59%	0.593	65%	0.653	S	S	*	*			trans	80.7	142.5	153.2	-67.7	-42.6	0	0	0	117.8
330	R	36.4	Very low	33.7	Very low	189 Å²	189	136.1 Å²	136.1	71%	0.713	65%	0.648	S	S	*	*			cis	-150.7	142.2	5.1	-124.2	152.3	-147.8	-179.9	7.9	112.1
331	D	36.5	Very low	33.8	Very low	100 Å²	100	134.4 Å²	134.4	54%	0.535	64%	0.64	S	S	.	*				41	144.4	129.2	-59.1	29.7	0	0	0	120.1
332	R	33	Very low	34.2	Very low	210 Å²	210	132.3 Å²	132.3	79%	0.792	64%	0.638	S	S	*	*			cis	-168.4	-178	8.7	-113.8	175.1	-117.3	-172.3	-1.4	106.8
333	K	33.3	Very low	34.7	Very low	159 Å²	159	133.7 Å²	133.7	69%	0.691	64%	0.639	S	S	*	*			cis	-160.8	146	5.8	-140.1	-164.7	148	-103.5	0	110
334	T	31.2	Very low	34.7	Very low	91 Å²	91	131.5 Å²	131.5	56%	0.558	64%	0.64	S	S	*	*			trans	31.1	148.6	134.7	63.1	0	0	0	0	123.4
335	T	31	Very low	35	Very low	100 Å²	100	129.1 Å²	129.1	61%	0.613	64%	0.642	S	S	*	*			cis	179	158.2	6.9	24.6	0	0	0	0	114.6
336	H	36.8	Very low	35.4	Very low	160 Å²	160	127.7 Å²	127.7	74%	0.741	64%	0.643	S	S	*	*			trans	58.7	150.7	141.7	-66.8	-53.6	0	0	0	121.3
337	D	32.1	Very low	35.7	Very low	123 Å²	123	128.7 Å²	128.7	66%	0.658	65%	0.649	S	S	*	*			cis	-159.9	161.5	-18.5	-130.8	-29	0	0	0	116.8
338	S	34	Very low	35.9	Very low	30 Å²	30	128 Å²	128	21%	0.21	65%	0.654	C	S	.	*			trans	10.7	123	153.9	68.1	0	0	0	0	127	I612	S338-I612 PolarHBondContact O-N 3.21Å; S338-I612 WeakPolarHBondContact OG-CG1 3.47Å
339	T	33.5	Very low	36.2	Very low	100 Å²	100	127 Å²	127	61%	0.613	66%	0.655	S	S	*	*				58.2	133.5	108.9	-36.8	0	0	0	0	122.9	S611 I612	T339-S611 CarbonylContact O-C 3.55Å; T339-I612 PolarHBondContact O-N 3.34Å
340	I	35.6	Very low	36.1	Very low	124 Å²	124	129.2 Å²	129.2	64%	0.636	66%	0.663	S	S	*	*				-179.8	163.7	118.7	-95.4	-175.7	0	0	0	113.3	I612	I340-I612 WeakPolarHBondContact CD1-O 3.48Å
341	N	37.5	Very low	36	Very low	136 Å²	136	124 Å²	124	73%	0.727	67%	0.668	S	S	*	*			trans	-105.3	-179.2	-174.1	-33.8	-58	0	0	0	113.7
342	D	36.7	Very low	35.9	Very low	137 Å²	137	126.5 Å²	126.5	73%	0.733	68%	0.681	S	S	*	*			trans	132.7	152.9	149.5	-78.8	-1.1	0	0	0	113.7
343	H	41.6	Very low	36.2	Very low	168 Å²	168	125 Å²	125	78%	0.778	68%	0.68	S	S	*	*			cis	-162.6	172.6	-26	-126.7	86.3	0	0	0	107.2
344	G	35.1	Very low	36.3	Very low	55 Å²	55	124.7 Å²	124.7	57%	0.567	68%	0.681	S	S	*	*			trans	105.7	130.2	172.2	0	0	0	0	0	114.2
345	D	40.7	Very low	36.5	Very low	145 Å²	145	126.6 Å²	126.6	78%	0.775	69%	0.688	S	S	*	*			cis	83.7	134.1	43.2	-54.7	-19.9	0	0	0	111.2
346	D	41.7	Very low	36.6	Very low	135 Å²	135	127.2 Å²	127.2	72%	0.722	68%	0.684	S	S	*	*			cis	-158	171.3	11.5	-114	-29.8	0	0	0	113.1
347	D	40.4	Very low	36.7	Very low	136 Å²	136	126.3 Å²	126.3	73%	0.727	68%	0.683	S	S	*	*			trans	55.6	129.4	152.6	-82.3	-20.6	0	0	0	123.1
348	V	37.9	Very low	36.8	Very low	121 Å²	121	127.5 Å²	127.5	73%	0.733	68%	0.683	S	S	*	*				82.1	127.9	65.2	167.8	0	0	0	0	112.4
349	D	39.7	Very low	37	Very low	121 Å²	121	135.2 Å²	135.2	65%	0.647	71%	0.712	S	S	*	*				-157.4	-171.7	53.8	-154.1	12.9	0	0	0	118
350	K	34.3	Very low	36.9	Very low	174 Å²	174	134.6 Å²	134.6	76%	0.757	71%	0.712	S	S	*	*			trans	-75.5	170.1	-172.1	-52	151.7	-156.9	81.5	0	117.2
351	G	33.9	Very low	36.9	Very low	78 Å²	78	138.7 Å²	138.7	80%	0.804	72%	0.721	S	S	*	*			trans	-171.5	111	157	0	0	0	0	0	115.9
352	N	33.5	Very low	36.6	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	72%	0.719	S	S	*	*			trans	-99.4	156.7	-175.9	-63.6	-31.1	0	0	0	114.3
353	K	39.1	Very low	36.5	Very low	179 Å²	179	138 Å²	138	78%	0.778	72%	0.718	S	S	*	*			trans	176	129.9	130.9	-96.7	166	177.7	176.7	0	112.9
354	E	35.2	Very low	36.2	Very low	152 Å²	152	136.7 Å²	136.7	71%	0.71	71%	0.712	S	S	*	*				68.5	144	88.1	-67.4	-173.5	154.4	0	0	114.2
355	N	35.7	Very low	36	Very low	132 Å²	132	142.8 Å²	142.8	71%	0.706	72%	0.723	S	S	*	*			cis	-168.8	171	0.3	-118.3	-35.6	0	0	0	108.3
356	E	34.6	Very low	35.6	Very low	112 Å²	112	140.1 Å²	140.1	52%	0.523	71%	0.712	S	S	.	*			cis	-166.7	-151.9	-4.9	-158.3	-118.3	105.5	0	0	109.5	K358	E356-K358 WeakPolarHBondContact OE1-CD 3.31Å; E356-K358 WeakPolarHBondContact OE1-CE 3.26Å; E356-K358 VanDerWaalsContact OE1-CG 3.29Å; E356-K358 WeakPolarHBondContact OE1-CG 3.33Å; E356-K358 IonicContact OE1-NZ 3.64Å; E356-K358 PolarHBondContact OE1-NZ 3.23Å; E356-K358 IonicContact OE2-NZ 2.77Å; E356-K358 PolarHBondContact OE2-NZ 3.27Å
357	I	37.5	Very low	35.1	Very low	142 Å²	142	142.1 Å²	142.1	73%	0.728	72%	0.715	S	S	*	*			trans	94.8	71.4	155.7	-39	-170.9	0	0	0	120.8
358	K	35.7	Very low	34.7	Very low	147 Å²	147	142 Å²	142	64%	0.639	71%	0.714	S	S	*	*				41.9	120.1	117.7	-65.4	150.5	178.5	148	0	123.1	E356	E356-K358 WeakPolarHBondContact OE1-CD 3.31Å; E356-K358 WeakPolarHBondContact OE1-CE 3.26Å; E356-K358 VanDerWaalsContact OE1-CG 3.29Å; E356-K358 WeakPolarHBondContact OE1-CG 3.33Å; E356-K358 IonicContact OE1-NZ 3.64Å; E356-K358 PolarHBondContact OE1-NZ 3.23Å; E356-K358 IonicContact OE2-NZ 2.77Å; E356-K358 PolarHBondContact OE2-NZ 3.27Å
359	K	36.2	Very low	34.8	Very low	193 Å²	193	144.1 Å²	144.1	84%	0.839	72%	0.72	S	S	*	*				169.7	108.3	112.2	-92	159.9	-174.1	172	0	111.7
360	S	32.2	Very low	34.3	Very low	87 Å²	87	145.3 Å²	145.3	61%	0.608	73%	0.726	S	S	*	*				69.7	130.1	86.7	77.7	0	0	0	0	114.3
361	Y	35.6	Very low	34	Very low	209 Å²	209	143.5 Å²	143.5	82%	0.82	72%	0.724	S	S	*	*			cis	-151.8	169.3	23.2	-85.6	-89.7	0	0	0	108.7
362	K	31.8	Very low	34.1	Very low	156 Å²	156	147 Å²	147	68%	0.678	72%	0.724	S	S	*	*			cis	157.3	118.7	-15	170.1	-170.8	171.6	-179.7	0	107.4	H364	K362-H364 WeakPolarHBondContact CE-NE2 3.42Å
363	S	34.2	Very low	34.2	Very low	104 Å²	104	147 Å²	147	73%	0.727	72%	0.724	S	S	*	*			trans	175.6	107.8	148	-175.5	0	0	0	0	109.6
364	H	35.3	Very low	33.7	Very low	140 Å²	140	146.3 Å²	146.3	65%	0.648	73%	0.729	S	S	*	*				57.8	137.7	89.3	-51.7	-49.2	0	0	0	114.5	K362	K362-H364 WeakPolarHBondContact CE-NE2 3.42Å
365	K	30.8	Very low	33.6	Very low	182 Å²	182	148.3 Å²	148.3	79%	0.791	74%	0.735	S	S	*	*			cis	-169.6	159	-2.1	-120.6	-151.7	159.8	-154.1	0	106.2
366	T	31.6	Very low	33.6	Very low	90 Å²	90	147.4 Å²	147.4	55%	0.552	73%	0.734	S	S	*	*			cis	-156.7	169.9	-16.6	7.7	0	0	0	0	106.4
367	K	32.4	Very low	33.6	Very low	177 Å²	177	146.1 Å²	146.1	77%	0.77	73%	0.731	S	S	*	*				39	140.2	80.8	-45.9	-166.8	171.5	-167.5	0	115.5
368	D	31.8	Very low	33.3	Very low	134 Å²	134	143.9 Å²	143.9	72%	0.717	72%	0.72	S	S	*	*			cis	-147.4	-171.8	32.9	-76.3	-73.4	0	0	0	113.8
369	L	39.2	Very low	33.3	Very low	164 Å²	164	144 Å²	144	86%	0.859	73%	0.734	S	S	*	*			trans	73.5	96.1	176.5	-51.5	-178.6	0	0	0	114.8
370	L	30	Very low	32.9	Very low	146 Å²	146	141.1 Å²	141.1	76%	0.764	73%	0.727	S	S	*	*			cis	87.9	118.8	41.3	-165.6	72.8	0	0	0	113.5
371	N	28.1	Very low	33.1	Very low	136 Å²	136	142.6 Å²	142.6	73%	0.727	73%	0.732	S	S	*	*			trans	21.5	128	160	-52.8	-2.6	0	0	0	119.6
372	D	35.1	Very low	32.8	Very low	151 Å²	151	139.1 Å²	139.1	81%	0.807	73%	0.728	S	S	*	*				-155.9	156.3	109.8	-123.6	-28.5	0	0	0	114.8
373	L	36.2	Very low	32.8	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	73%	0.732	S	S	*	*			trans	59.3	91.8	162.4	-62.3	170.3	0	0	0	120.6
374	N	27.7	Very low	32.8	Very low	164 Å²	164	141.9 Å²	141.9	88%	0.877	74%	0.735	S	S	*	*			trans	-79	132.9	153.5	-66.2	-52.9	0	0	0	111.5
375	K	33.5	Very low	32.5	Very low	194 Å²	194	140.8 Å²	140.8	84%	0.843	74%	0.74	S	S	*	*			trans	-177.3	165.2	134.9	-111.2	177.6	178.2	-177.4	0	115.3
376	T	35.7	Very low	32.6	Very low	113 Å²	113	137.8 Å²	137.8	69%	0.693	74%	0.737	S	S	*	*			trans	68	78.3	167.3	53.4	0	0	0	0	119.2
377	D	34.9	Very low	32.4	Very low	84 Å²	84	141.8 Å²	141.8	45%	0.449	75%	0.749	S	S	.	*				62	105	111.7	-59.4	17.9	0	0	0	121.9	C626	D377-C626 WeakPolarHBondContact OD2-CB 3.12Å; D377-C626 PolarHBondContact OD2-SG 3.11Å
378	N	31.1	Very low	32.5	Very low	95 Å²	95	140.4 Å²	140.4	51%	0.508	75%	0.749	S	S	.	*				53.8	104.6	118	-52.5	-28.1	0	0	0	120.2
379	T	35.3	Very low	32.4	Very low	151 Å²	151	141.9 Å²	141.9	93%	0.926	76%	0.756	S	S	*	*			trans	-144.6	142.5	136.4	-40	0	0	0	0	109.7
380	L	29.2	Very low	32.2	Very low	131 Å²	131	140.1 Å²	140.1	69%	0.686	74%	0.743	S	S	*	*			trans	-90.8	123.6	-165	179.3	74.6	0	0	0	113.3
381	V	35.3	Very low	32.1	Very low	118 Å²	118	141.7 Å²	141.7	72%	0.715	75%	0.746	S	S	*	*			trans	-145.5	113.2	146	-172.7	0	0	0	0	108.3	I383	V381-I383 HydrophobicContact CG1-CD1 4.15Å; V381-I383 HydrophobicContact CG1-CG1 3.8Å
382	D	28.7	Very low	32.3	Very low	137 Å²	137	138.9 Å²	138.9	73%	0.733	74%	0.737	S	S	*	*			trans	-73.2	124.7	169.3	-63.9	-60.7	0	0	0	109.9
383	I	32.5	Very low	32.2	Very low	148 Å²	148	138.2 Å²	138.2	76%	0.759	73%	0.732	S	S	*	*			trans	-131.7	87.1	173	-52.8	-177.4	0	0	0	108	V381	V381-I383 HydrophobicContact CG1-CD1 4.15Å; V381-I383 HydrophobicContact CG1-CG1 3.8Å
384	E	34.2	Very low	31.9	Very low	169 Å²	169	135.9 Å²	135.9	79%	0.79	72%	0.717	S	S	*	*			trans	-66	139.6	169.6	-73.4	-165.2	127.7	0	0	111	V386	E384-V386 PolarHBondContact O-N 3.26Å; E384-V386 VanDerWaalsContact O-N 3.1Å
385	P	29.8	Very low	32.2	Very low	118 Å²	118	135.4 Å²	135.4	77%	0.766	71%	0.713	S	S	*	*			trans	-78.4	94.5	177.4	32	-33.3	0	0	0	110.4	E387	P385-E387 PolarHBondContact O-N 2.67Å
386	V	32.2	Very low	32.2	Very low	118 Å²	118	131.9 Å²	131.9	72%	0.715	70%	0.703	S	S	*	*			trans	-66.1	103.6	177.4	-173	0	0	0	0	110.8	E384 L388	E384-V386 PolarHBondContact O-N 3.26Å; E384-V386 VanDerWaalsContact O-N 3.1Å; V386-L388 HydrophobicContact CG1-CD2 4.13Å; V386-L388 HydrophobicContact CG1-CG 4.08Å; V386-L388 PolarHBondContact O-N 2.89Å
387	E	27.3	Very low	32	Very low	174 Å²	174	132 Å²	132	81%	0.813	70%	0.699	S	S	*	*			trans	-69	107.3	171.6	-65.2	-164.3	132.9	0	0	110.8	P385	P385-E387 PolarHBondContact O-N 2.67Å
388	L	34.7	Very low	32	Very low	148 Å²	148	133.8 Å²	133.8	78%	0.775	71%	0.708	S	S	*	*			trans	-106.3	92.5	170.9	-68.6	-178.8	0	0	0	110.6	V386 H390	V386-L388 HydrophobicContact CG1-CD2 4.13Å; V386-L388 HydrophobicContact CG1-CG 4.08Å; V386-L388 PolarHBondContact O-N 2.89Å; L388-H390 PolarHBondContact O-N 3.49Å; L388-H390 VanDerWaalsContact O-N 3.09Å
389	I	30.3	Very low	32	Very low	166 Å²	166	135.5 Å²	135.5	85%	0.851	72%	0.716	S	S	*	*			trans	-64.7	108.7	171.4	-60.3	177.8	0	0	0	108.4	E391	I389-E391 PolarHBondContact O-N 3.03Å
390	H	33.5	Very low	32.2	Very low	127 Å²	127	136.6 Å²	136.6	59%	0.588	71%	0.711	S	S	*	*			trans	-93	101.1	-163.3	-169.6	-84.1	0	0	0	111.2	L388 S392	L388-H390 PolarHBondContact O-N 3.49Å; L388-H390 VanDerWaalsContact O-N 3.09Å; H390-S392 PolarHBondContact ND1-OG 3.02Å; H390-S392 WeakPolarHBondContact O-CB 3.31Å; H390-S392 PolarHBondContact O-N 3.39Å; H390-S392 PolarHBondContact O-OG 2.88Å
391	E	29.9	Very low	32.3	Very low	179 Å²	179	137.6 Å²	137.6	84%	0.836	72%	0.717	S	S	*	*			trans	-63	101	-179.1	-166.7	-177.9	-147.5	0	0	111.4	I389	I389-E391 PolarHBondContact O-N 3.03Å
392	S	31.2	Very low	32.1	Very low	76 Å²	76	140.9 Å²	140.9	53%	0.531	73%	0.725	S	S	.	*			trans	-110.1	82.7	-163.7	-63.6	0	0	0	0	111.1	H390 E394	H390-S392 PolarHBondContact ND1-OG 3.02Å; H390-S392 WeakPolarHBondContact O-CB 3.31Å; H390-S392 PolarHBondContact O-N 3.39Å; H390-S392 PolarHBondContact O-OG 2.88Å; S392-E394 VanDerWaalsContact C-N 3.28Å; S392-E394 PolarHBondContact O-N 2.96Å
393	I	32.5	Very low	32.2	Very low	137 Å²	137	142.5 Å²	142.5	70%	0.703	73%	0.727	S	S	*	*			trans	-69.5	86.4	176.3	-56.5	-177.5	0	0	0	110.3	L395	I393-L395 PolarHBondContact O-N 3.47Å; I393-L395 VanDerWaalsContact O-N 3.1Å
394	E	30.4	Very low	32.1	Very low	106 Å²	106	142.1 Å²	142.1	50%	0.495	72%	0.722	S	S	.	*			trans	-67.5	93.7	166.3	-77.9	-122	77.2	0	0	110.7	R152 S392 I396	R152-E394 IonicContact CZ-OE1 3.38Å; R152-E394 IonicContact NH1-OE1 2.72Å; R152-E394 PolarHBondContact NH1-OE1 3.36Å; R152-E394 IonicContact NH2-OE1 3.07Å; R152-E394 PolarHBondContact NH2-OE1 2.9Å; S392-E394 VanDerWaalsContact C-N 3.28Å; S392-E394 PolarHBondContact O-N 2.96Å; E394-I396 HydrophobicContact CB-CG1 4.19Å; E394-I396 PolarHBondContact O-N 2.89Å
395	L	33.4	Very low	32.1	Very low	154 Å²	154	144.4 Å²	144.4	81%	0.806	73%	0.73	S	S	*	*			trans	-70.2	85.7	158.4	-76.3	174.4	0	0	0	109.2	I393 D397	I393-L395 PolarHBondContact O-N 3.47Å; I393-L395 VanDerWaalsContact O-N 3.1Å; L395-D397 PolarHBondContact O-N 3.34Å
396	I	33.9	Very low	32	Very low	121 Å²	121	143.2 Å²	143.2	62%	0.621	73%	0.725	S	S	*	*			trans	-64.3	117	170.5	-58.8	178.7	0	0	0	108	E394 I398	E394-I396 HydrophobicContact CB-CG1 4.19Å; E394-I396 PolarHBondContact O-N 2.89Å; I396-I398 VanDerWaalsContact C-N 3.26Å; I396-I398 HydrophobicContact CG2-CG1 3.9Å; I396-I398 PolarHBondContact O-N 3.48Å
397	D	30.9	Very low	32	Very low	115 Å²	115	143.7 Å²	143.7	62%	0.615	73%	0.732	S	S	*	*			trans	-68.3	76.1	177	-101.5	-44.9	0	0	0	111	K208 L395 D399	K208-D397 WeakPolarHBondContact CD-OD1 3.17Å; K208-D397 VanDerWaalsContact CE-OD1 3.26Å; K208-D397 WeakPolarHBondContact CE-OD1 3.18Å; K208-D397 WeakPolarHBondContact CE-OD2 3.3Å; K208-D397 IonicContact NZ-OD1 3.27Å; K208-D397 PolarHBondContact NZ-OD1 2.8Å; K208-D397 IonicContact NZ-OD2 3.4Å; K208-D397 PolarHBondContact NZ-OD2 2.99Å; L395-D397 PolarHBondContact O-N 3.34Å; D397-D399 PolarHBondContact O-N 3.34Å
398	I	36.1	Very low	32.3	Very low	122 Å²	122	143.7 Å²	143.7	63%	0.626	73%	0.731	S	S	*	*			trans	-79.8	95.6	172.4	-57.5	-179.3	0	0	0	108.9	I396 H400	I396-I398 VanDerWaalsContact C-N 3.26Å; I396-I398 HydrophobicContact CG2-CG1 3.9Å; I396-I398 PolarHBondContact O-N 3.48Å; I398-H400 WeakPolarHBondContact CG2-ND1 3.33Å; I398-H400 PolarHBondContact O-N 2.99Å
399	D	31.5	Very low	32.3	Very low	130 Å²	130	146.7 Å²	146.7	70%	0.695	74%	0.738	S	S	*	*			trans	-67.4	119	166.8	-65.3	-31.9	0	0	0	108.5	K208 D397	K208-D399 IonicContact NZ-OD1 2.63Å; K208-D399 PolarHBondContact NZ-OD1 3.32Å; K208-D399 IonicContact NZ-OD2 2.65Å; D397-D399 PolarHBondContact O-N 3.34Å
400	H	38.4	Very low	32.3	Very low	174 Å²	174	144.1 Å²	144.1	81%	0.806	74%	0.735	S	S	*	*			trans	-130.7	87.9	176.1	-99.4	33.6	0	0	0	111.2	I398	I398-H400 WeakPolarHBondContact CG2-ND1 3.33Å; I398-H400 PolarHBondContact O-N 2.99Å
401	D	31.6	Very low	32.5	Very low	152 Å²	152	148.2 Å²	148.2	81%	0.813	75%	0.751	S	S	*	*			trans	-81.9	146.9	156.8	-85.3	-50.1	0	0	0	109.7
402	Q	31.1	Very low	32.7	Very low	188 Å²	188	145.1 Å²	145.1	88%	0.879	75%	0.749	S	S	*	*			trans	83	96.5	173.4	-54.7	173.6	86.1	0	0	118.5
403	Q	31.5	Very low	32.6	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.794	76%	0.757	S	S	*	*			trans	-169.2	150	131.3	-101.5	-168.2	-49.9	0	0	107.5
404	E	29.6	Very low	32.6	Very low	140 Å²	140	148.2 Å²	148.2	65%	0.654	76%	0.764	S	S	*	*			cis	-157.5	141.8	-23.3	-149.2	157.5	-148.1	0	0	108
405	K	33.7	Very low	32.6	Very low	217 Å²	217	149.3 Å²	149.3	94%	0.943	77%	0.773	S	S	*	*			trans	-136.2	79.5	163.2	-81.7	-159.3	173.8	-172.2	0	109.6
406	S	29.2	Very low	32.7	Very low	94 Å²	94	150.7 Å²	150.7	66%	0.657	78%	0.775	S	S	*	*			trans	-70	131.1	174	45.7	0	0	0	0	111.1
407	C	31.6	Very low	32.7	Very low	128 Å²	128	153.2 Å²	153.2	87%	0.865	78%	0.784	S	S	*	*			trans	-151.3	125	152.7	-163	0	0	0	0	107.9
408	H	32.5	Very low	32.8	Very low	174 Å²	174	157.1 Å²	157.1	81%	0.806	80%	0.796	S	S	*	*			trans	-77.1	137.4	-167.2	-58.6	-95.9	0	0	0	112.2
409	K	36	Very low	32.7	Very low	211 Å²	211	156.7 Å²	156.7	92%	0.917	80%	0.804	S	S	*	*			trans	-146.8	127.1	136.7	-148.9	138.7	-168.6	167.6	0	112
410	S	29.8	Very low	32.5	Very low	111 Å²	111	161.7 Å²	161.7	78%	0.776	81%	0.814	S	S	*	*			trans	-72.9	145.4	-170.4	-36	0	0	0	0	112.7
411	K	37.6	Very low	32.2	Very low	213 Å²	213	165.4 Å²	165.4	93%	0.926	82%	0.822	S	S	*	*			trans	-156.4	138.8	140.8	-115.9	164.8	-172.2	-178.1	0	113.8
412	S	33.6	Very low	32.1	Very low	114 Å²	114	167.2 Å²	167.2	80%	0.797	82%	0.822	S	S	*	*			trans	-30.8	137	-177.2	-158.6	0	0	0	0	118.6
413	T	29.9	Very low	32.1	Very low	113 Å²	113	166.1 Å²	166.1	69%	0.693	82%	0.815	S	S	*	*			trans	-48.9	140.3	159.4	-34.5	0	0	0	0	112.6
414	I	32.5	Very low	32.2	Very low	166 Å²	166	164.8 Å²	164.8	85%	0.851	81%	0.808	S	S	*	*			trans	-148.7	135.6	138.5	-108.6	161.1	0	0	0	108.4
415	N	30.1	Very low	32.3	Very low	129 Å²	129	164.1 Å²	164.1	69%	0.69	81%	0.813	S	S	*	*			trans	-82.8	142.2	180	-72.6	-49.8	0	0	0	111.2
416	Q	35.9	Very low	32.3	Very low	182 Å²	182	159.4 Å²	159.4	85%	0.85	81%	0.808	S	S	*	*				-164.7	143.9	114.2	-108	160.3	100.6	0	0	114.3
417	Q	33.5	Very low	32.4	Very low	175 Å²	175	163.7 Å²	163.7	82%	0.818	82%	0.815	S	S	*	*			trans	-78.3	149.4	168.9	-55	150.5	-42.5	0	0	109.6
418	K	33.9	Very low	32.3	Very low	196 Å²	196	166.8 Å²	166.8	85%	0.852	81%	0.814	S	S	*	*				-168.7	115	123.1	-102.4	146.8	-168.9	168.3	0	114.4
419	S	32.4	Very low	32.4	Very low	114 Å²	114	163.5 Å²	163.5	80%	0.797	81%	0.81	S	S	*	*			trans	18.7	126.9	138.2	-157.4	0	0	0	0	120
420	Y	27.6	Very low	32.2	Very low	234 Å²	234	159 Å²	159	92%	0.918	81%	0.806	S	S	*	*			trans	-67	129.2	162.1	-68.3	-99.2	0	0	0	111.6
421	R	31.7	Very low	32.5	Very low	253 Å²	253	156.7 Å²	156.7	96%	0.955	80%	0.799	S	S	*	*			trans	-141.6	148.6	143.4	-144	172.5	-172	-176	1.8	111
422	K	31	Very low	32.3	Very low	190 Å²	190	151.8 Å²	151.8	83%	0.826	79%	0.792	S	S	*	*			trans	-120.5	135.7	-162.8	178.9	-175.8	-176.6	175.9	0	109.4
423	K	30.4	Very low	32.5	Very low	165 Å²	165	154.9 Å²	154.9	72%	0.717	79%	0.794	S	S	*	*			trans	147	159.5	139.3	-84	171.3	140.1	-134.6	0	114.1
424	H	34.7	Very low	32.6	Very low	141 Å²	141	155.6 Å²	155.6	65%	0.653	80%	0.798	S	S	*	*			trans	72.9	105.6	156.6	-65.2	-57.3	0	0	0	119.4
425	T	31.2	Very low	32.8	Very low	126 Å²	126	156.8 Å²	156.8	77%	0.773	80%	0.8	S	S	*	*				26	138.7	117.6	53.4	0	0	0	0	118.5
426	S	32.9	Very low	33.1	Very low	119 Å²	119	156 Å²	156	83%	0.832	80%	0.804	S	S	*	*			cis	-151.8	-174.6	36.1	53	0	0	0	0	115.1
427	K	31.4	Very low	33.2	Very low	183 Å²	183	152 Å²	152	80%	0.796	80%	0.796	S	S	*	*			trans	-71.8	156.8	179.7	-51.7	170.7	-178.5	176.1	0	112.8
428	F	30.8	Very low	33.6	Very low	194 Å²	194	149 Å²	149	85%	0.851	79%	0.792	S	S	*	*				-178.3	142.8	114.9	-101.5	-66.8	0	0	0	112.7
429	S	33.7	Very low	33.5	Very low	104 Å²	104	145 Å²	145	73%	0.727	79%	0.788	S	S	*	*			trans	55	155.5	146.7	-63.1	0	0	0	0	122.1
430	S	32.1	Very low	33.7	Very low	118 Å²	118	146.9 Å²	146.9	83%	0.825	79%	0.787	S	S	*	*			cis	-173.1	157.4	-20.4	50.4	0	0	0	0	110.7
431	G	35.6	Very low	34.2	Very low	61 Å²	61	143.1 Å²	143.1	63%	0.629	78%	0.778	S	S	*	*			trans	143.5	107.9	172.9	0	0	0	0	0	109.2
432	S	34.2	Very low	34.5	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	76%	0.758	S	S	*	*				70.9	133.9	75.4	74.1	0	0	0	0	111.2
433	E	36.6	Very low	34.9	Very low	179 Å²	179	134.6 Å²	134.6	84%	0.836	76%	0.755	S	S	*	*			cis	-136.7	-178.9	30.2	-74	164.6	176.6	0	0	115
434	T	33.4	Very low	35.3	Very low	128 Å²	128	130.9 Å²	130.9	79%	0.785	75%	0.749	S	S	*	*			trans	-45.3	169.4	-179.5	44.6	0	0	0	0	117.4
435	E	36.8	Very low	35.5	Very low	190 Å²	190	134.3 Å²	134.3	89%	0.888	76%	0.756	S	S	*	*			cis	-141.3	178.1	38.6	-66.1	-179.9	134.4	0	0	116.1
436	S	35.8	Very low	35.8	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	75%	0.746	S	S	*	*			trans	-108.1	-179.2	179.7	63.4	0	0	0	0	110.3
437	S	36.9	Very low	36	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	74%	0.742	S	S	*	*			cis	-168	173.6	28.2	-148.5	0	0	0	0	108.4
438	P	41.8	Very low	36.3	Very low	112 Å²	112	129.7 Å²	129.7	73%	0.727	73%	0.733	S	S	*	*				-153.1	152.3	79.6	37.7	-17.5	0	0	0	118.1
439	C	32.7	Very low	36.5	Very low	114 Å²	114	128.6 Å²	128.6	77%	0.77	73%	0.731	S	S	*	*			trans	49	134.3	144.6	-51.1	0	0	0	0	119.8
440	I	37.3	Very low	36.7	Very low	152 Å²	152	128.6 Å²	128.6	78%	0.779	73%	0.727	S	S	*	*			cis	-157.6	159.5	48.6	-81	-175.7	0	0	0	110.8
441	H	38	Very low	36.9	Very low	156 Å²	156	127.6 Å²	127.6	72%	0.722	72%	0.719	S	S	*	*			trans	3.3	153	159.6	-67.3	-8.4	0	0	0	122.3
442	N	36.5	Very low	37	Very low	100 Å²	100	133.5 Å²	133.5	54%	0.535	73%	0.728	S	S	.	*			cis	-166.5	159.5	-3.8	-109.5	-7.4	0	0	0	111.1
443	H	41	Very low	37.1	Very low	164 Å²	164	133.6 Å²	133.6	76%	0.759	73%	0.729	S	S	*	*			trans	48.5	146.7	148.2	-58.9	-43.1	0	0	0	120.7
444	S	37	Very low	37.1	Very low	86 Å²	86	129.6 Å²	129.6	60%	0.601	72%	0.721	S	S	*	*			cis	-164.3	147.1	-2.9	-120.7	0	0	0	0	109.2
445	R	38.9	Very low	37.3	Very low	213 Å²	213	132.1 Å²	132.1	80%	0.804	72%	0.721	S	S	*	*			trans	55.7	152.1	139.7	-64.8	-168	143.1	135.5	4.2	120.4
446	D	38.1	Very low	37.2	Very low	102 Å²	102	129.8 Å²	129.8	55%	0.545	71%	0.71	S	S	.	*			cis	-163.7	155.1	-15.6	-106.2	-14.5	0	0	0	107.2
447	N	37.8	Very low	36.7	Very low	143 Å²	143	129.7 Å²	129.7	77%	0.765	70%	0.704	S	S	*	*			trans	64.6	155.8	143.5	-68.3	-15.7	0	0	0	119.7
448	S	36.8	Very low	36.4	Very low	86 Å²	86	131.6 Å²	131.6	60%	0.601	71%	0.705	S	S	*	*			cis	-167.4	146.7	-11	41.2	0	0	0	0	110.6
449	E	36.3	Very low	35.8	Very low	172 Å²	172	131.8 Å²	131.8	80%	0.804	71%	0.705	S	S	*	*			trans	65.3	167.2	139.7	-71.6	-179.2	-154.9	0	0	119.2
450	T	36.5	Very low	35.7	Very low	104 Å²	104	130.9 Å²	130.9	64%	0.638	70%	0.699	S	S	*	*			cis	-144.4	158.3	-9.4	-2.5	0	0	0	0	110.8
451	S	37.7	Very low	35.2	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	70%	0.7	S	S	*	*			trans	63.6	160.3	141.5	-69.6	0	0	0	0	121.2
452	K	36.8	Very low	34.8	Very low	185 Å²	185	128.7 Å²	128.7	80%	0.804	70%	0.704	S	S	*	*			cis	172.6	160.4	-38.4	-108.3	167.4	-178.2	171.9	0	106.2
453	S	36.1	Very low	34.7	Very low	114 Å²	114	128.2 Å²	128.2	80%	0.797	71%	0.708	S	S	*	*			trans	67.5	152.5	164.7	-71.3	0	0	0	0	117.5
454	S	37.7	Very low	34.4	Very low	95 Å²	95	126.2 Å²	126.2	66%	0.664	71%	0.707	S	S	*	*			cis	-170.4	164.1	-22.1	53.7	0	0	0	0	110.5
455	K	37	Very low	34.2	Very low	181 Å²	181	128.1 Å²	128.1	79%	0.787	71%	0.711	S	S	*	*			trans	39	143.8	135.2	-74.2	-170.6	171.9	-175.4	0	121.3
456	Q	33.5	Very low	33.9	Very low	141 Å²	141	121.5 Å²	121.5	66%	0.659	70%	0.697	S	S	*	*			cis	-176.2	148	-11	-158.1	170.2	-24.3	0	0	108.6
457	T	26.7	Very low	33.8	Very low	109 Å²	109	126.2 Å²	126.2	67%	0.669	71%	0.707	S	S	*	*			trans	65.6	148.5	152.4	28.4	0	0	0	0	123.2
458	I	30	Very low	33.7	Very low	138 Å²	138	125.3 Å²	125.3	71%	0.708	70%	0.701	S	S	*	*			trans	86.8	100.4	140.3	-74.9	165.5	0	0	0	120.6
459	T	30	Very low	33.7	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	71%	0.709	S	S	*	*			trans	69.4	139.1	136.2	63	0	0	0	0	124.9
460	S	29.3	Very low	33.7	Very low	94 Å²	94	125.8 Å²	125.8	66%	0.657	71%	0.706	S	S	*	*			trans	67.7	103.9	138.2	60.1	0	0	0	0	121.4
461	N	27.6	Very low	33.8	Very low	149 Å²	149	126.7 Å²	126.7	80%	0.797	71%	0.707	S	S	*	*				57.3	131.4	123.6	-64.4	-1.7	0	0	0	121.6
462	S	30	Very low	33.9	Very low	114 Å²	114	129.9 Å²	129.9	80%	0.797	71%	0.711	S	S	*	*			trans	73.1	153.9	160.1	98.7	0	0	0	0	113.9
463	S	33.7	Very low	33.9	Very low	89 Å²	89	125.6 Å²	125.6	62%	0.622	70%	0.704	S	S	*	*			cis	-163.3	-176.9	-13.2	34.5	0	0	0	0	108.1
464	V	35.4	Very low	34	Very low	123 Å²	123	127.3 Å²	127.3	75%	0.745	70%	0.703	S	S	*	*			trans	51.1	130.1	158.4	-72.8	0	0	0	0	118.5
465	N	31.6	Very low	34	Very low	125 Å²	125	126.7 Å²	126.7	67%	0.668	70%	0.699	S	S	*	*			cis	-163.1	143.3	44.6	-109	-36.1	0	0	0	108.9
466	S	33	Very low	33.9	Very low	74 Å²	74	125.5 Å²	125.5	52%	0.517	70%	0.701	S	S	.	*				63.1	137.6	89.8	105.5	0	0	0	0	113.8
467	R	36.3	Very low	34.1	Very low	201 Å²	201	123.6 Å²	123.6	76%	0.758	71%	0.709	S	S	*	*			cis	-157.7	-164.4	20.4	-127	163.8	-66.7	173.3	0.7	107
468	I	35.5	Very low	34.5	Very low	125 Å²	125	123.3 Å²	123.3	64%	0.641	71%	0.712	S	S	*	*			cis	-156.7	138.5	9.5	-139.6	148.3	0	0	0	107.7
469	L	37.6	Very low	34.8	Very low	148 Å²	148	121.5 Å²	121.5	78%	0.775	71%	0.711	S	S	*	*			trans	54	156.1	151	-53.7	170.3	0	0	0	120
470	T	36.8	Very low	35	Very low	119 Å²	119	123 Å²	123	73%	0.73	71%	0.714	S	S	*	*			cis	-172.6	161.2	-9.9	25.9	0	0	0	0	106.9
471	D	36.6	Very low	35.1	Very low	124 Å²	124	123.6 Å²	123.6	66%	0.663	72%	0.718	S	S	*	*			cis	-170.3	-175.3	-32.4	-156.2	-91.8	0	0	0	107.9
472	H	40.6	Very low	35.4	Very low	163 Å²	163	121.7 Å²	121.7	76%	0.755	72%	0.716	S	S	*	*			trans	67.1	147.4	170.3	-53.2	-8.8	0	0	0	116.4
473	S	36.1	Very low	35.4	Very low	95 Å²	95	123.8 Å²	123.8	66%	0.664	72%	0.717	S	S	*	*			cis	-177.2	162.8	-14.8	-95.4	0	0	0	0	107.4
474	I	38.8	Very low	35.2	Very low	149 Å²	149	125.1 Å²	125.1	76%	0.764	73%	0.725	S	S	*	*			cis	-169	149.4	-17.3	-106.2	170.2	0	0	0	105
475	S	37.7	Very low	35.2	Very low	82 Å²	82	125 Å²	125	57%	0.573	73%	0.73	S	S	*	*			cis	-167.7	158.6	-26.3	66	0	0	0	0	109.9
476	N	34.9	Very low	35.3	Very low	157 Å²	157	128.4 Å²	128.4	84%	0.84	74%	0.739	S	S	*	*			trans	70.7	154.6	158.5	-53.1	-26.1	0	0	0	118.5
477	A	38.2	Very low	35.6	Very low	100 Å²	100	132.9 Å²	132.9	83%	0.826	76%	0.757	S	S	*	*			cis	-134.6	162.8	9.2	0	0	0	0	0	114.2
478	S	34.8	Very low	35.4	Very low	104 Å²	104	132.6 Å²	132.6	73%	0.727	76%	0.761	S	S	*	*			trans	-97.8	176.5	-175.6	58.8	0	0	0	0	112.6
479	S	36.5	Very low	35.3	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	78%	0.775	S	S	*	*				-173.9	134.2	79	-69.1	0	0	0	0	115
480	L	34.1	Very low	35	Very low	150 Å²	150	135.8 Å²	135.8	79%	0.785	77%	0.774	S	S	*	*			trans	43.1	134.4	132.7	-46.2	175.9	0	0	0	121
481	S	30.9	Very low	34.7	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	77%	0.768	S	S	*	*			cis	91	108.7	10.8	91.2	0	0	0	0	119.7
482	S	33.8	Very low	34.2	Very low	109 Å²	109	139.8 Å²	139.8	76%	0.762	77%	0.774	S	S	*	*			trans	-167.2	124.9	153.8	43.5	0	0	0	0	109.6
483	I	30.7	Very low	33.7	Very low	159 Å²	159	139.2 Å²	139.2	82%	0.815	77%	0.771	S	S	*	*				64.4	101.6	84.5	-59.9	161.8	0	0	0	111.3
484	C	29.3	Very low	33.3	Very low	116 Å²	116	144 Å²	144	78%	0.784	78%	0.775	S	S	*	*				77.5	111.9	56.9	-177.6	0	0	0	0	114.9
485	S	35.2	Very low	32.9	Very low	122 Å²	122	144 Å²	144	85%	0.853	77%	0.771	S	S	*	*			trans	-159.8	157.9	146.9	-102.2	0	0	0	0	111.1
486	K	34.6	Very low	32.4	Very low	195 Å²	195	147.3 Å²	147.3	85%	0.848	78%	0.778	S	S	*	*			trans	-102.2	153.7	166.8	-62.4	166.6	-177.4	163.4	0	107.7
487	D	38.4	Very low	32.3	Very low	169 Å²	169	147.3 Å²	147.3	90%	0.904	77%	0.772	S	S	*	*			trans	-156.7	164	130.8	-121.7	-36.4	0	0	0	114.4
488	K	32.1	Very low	32.1	Very low	194 Å²	194	149.1 Å²	149.1	84%	0.843	76%	0.763	S	S	*	*			trans	-102.3	132.2	169.2	-85.8	-179.5	173.6	178.4	0	109.4
489	L	34.5	Very low	31.9	Very low	180 Å²	180	151.4 Å²	151.4	94%	0.942	76%	0.76	S	S	*	*			trans	-144	176.4	149.8	-109.8	171.1	0	0	0	111
490	Q	29.6	Very low	31.9	Very low	161 Å²	161	156 Å²	156	75%	0.752	77%	0.77	S	S	*	*			trans	-142	172.6	-148.8	-143.2	-173.3	4.4	0	0	111.7
491	I	30.9	Very low	31.8	Very low	115 Å²	115	158 Å²	158	59%	0.59	78%	0.775	S	S	*	*			trans	78.2	114.5	151.8	-69.2	164.6	0	0	0	118.4
492	R	27.3	Very low	32.1	Very low	211 Å²	211	163 Å²	163	80%	0.796	78%	0.784	S	S	*	*			trans	66.7	157.9	150.9	-64.5	170.9	-170.1	162.7	1.3	117.6
493	H	30.2	Very low	31.9	Very low	151 Å²	151	169.6 Å²	169.6	70%	0.699	79%	0.792	S	S	*	*			cis	-154.6	178.2	-17	-118.3	-38.4	0	0	0	110.2
494	R	26.5	Very low	31.9	Very low	196 Å²	196	173.3 Å²	173.3	74%	0.74	80%	0.796	S	S	*	*			trans	3.9	147.2	150.8	-76.2	170.6	162.2	174.5	-3.9	119.2
495	H	31.6	Very low	32	Very low	149 Å²	149	173.7 Å²	173.7	69%	0.69	80%	0.797	S	S	*	*			cis	-153.4	-175.8	24.3	-116.1	138	0	0	0	112.6
496	E	27.3	Very low	31.6	Very low	151 Å²	151	173.9 Å²	173.9	71%	0.706	79%	0.793	S	S	*	*			trans	-66.1	158	168.5	-57	176.1	107.5	0	0	110.7
497	H	32.5	Very low	31.4	Very low	157 Å²	157	169.7 Å²	169.7	73%	0.727	79%	0.788	S	S	*	*				-166.5	150.4	70.1	-90.6	-87.2	0	0	0	114.9
498	H	32.8	Very low	30.8	Very low	138 Å²	138	166.5 Å²	166.5	64%	0.639	78%	0.779	S	S	*	*			trans	53.6	122.3	144.2	-82.6	3.5	0	0	0	124.1
499	K	30.6	Very low	30.7	Very low	153 Å²	153	165.6 Å²	165.6	67%	0.665	78%	0.777	S	S	*	*				57.9	117.1	128.2	-61.7	167.6	177.3	158	0	118.9
500	H	37.3	Very low	30.3	Very low	194 Å²	194	166.2 Å²	166.2	90%	0.898	77%	0.773	S	S	*	*				-161.9	144.8	96.3	-107.1	-82.2	0	0	0	111.5
501	H	32	Very low	30.2	Very low	193 Å²	193	164 Å²	164	89%	0.894	78%	0.775	S	S	*	*			trans	-80.3	138	-177	-77.9	-87.4	0	0	0	113
502	K	36	Very low	30.1	Very low	210 Å²	210	163.9 Å²	163.9	91%	0.913	78%	0.779	S	S	*	*			trans	-133.8	126.1	153.6	-123.4	173.4	-175.1	175.2	0	112
503	R	29.8	Very low	30.2	Very low	248 Å²	248	163.8 Å²	163.8	94%	0.936	79%	0.785	S	S	*	*			trans	-58.6	139.8	-163.5	-57.4	167.9	178.3	174.4	-3	114.7
504	R	30.5	Very low	30.2	Very low	236 Å²	236	163.8 Å²	163.8	89%	0.891	79%	0.789	S	S	*	*			trans	-145.6	126.8	142.5	-147.3	173.1	-167.4	174.4	4.2	108.3
505	P	32.4	Very low	30.5	Very low	125 Å²	125	163.4 Å²	163.4	81%	0.812	79%	0.793	S	S	*	*			trans	-80.4	126.6	-166.3	29.7	-34.3	0	0	0	112.8
506	T	26.8	Very low	30.9	Very low	126 Å²	126	163 Å²	163	77%	0.773	80%	0.801	S	S	*	*			trans	-97.7	103.9	164.1	51.5	0	0	0	0	108.9	S508	T506-S508 VanDerWaalsContact C-N 3.33Å; T506-S508 PolarHBondContact O-N 3.26Å
507	S	29.6	Very low	31.3	Very low	106 Å²	106	159.4 Å²	159.4	74%	0.741	79%	0.793	S	S	*	*			trans	-74.9	81.8	177.2	42	0	0	0	0	111.3	H509	S507-H509 VanDerWaalsContact C-N 3.27Å; S507-H509 PolarHBondContact O-N 3.05Å
508	S	25.7	Very low	32.4	Very low	102 Å²	102	157.1 Å²	157.1	71%	0.713	79%	0.785	S	S	*	*			trans	-74.8	72.5	178.4	49.6	0	0	0	0	112.4	T506 K510	T506-S508 VanDerWaalsContact C-N 3.33Å; T506-S508 PolarHBondContact O-N 3.26Å; S508-K510 VanDerWaalsContact C-N 3.32Å; S508-K510 PolarHBondContact O-N 3.37Å
509	H	31.1	Very low	34.2	Very low	175 Å²	175	153.6 Å²	153.6	81%	0.81	77%	0.773	S	S	*	*			trans	-65.7	94.7	164.5	-78.7	-81.2	0	0	0	109.8	S507 S511	S507-H509 VanDerWaalsContact C-N 3.27Å; S507-H509 PolarHBondContact O-N 3.05Å; H509-S511 PolarHBondContact O-N 2.84Å
510	K	26.8	Very low	35.7	Very low	194 Å²	194	151.7 Å²	151.7	84%	0.843	77%	0.774	S	S	*	*			trans	-62.9	86.9	162.8	-69.4	179.5	179	177.2	0	108	S508 T512	S508-K510 VanDerWaalsContact C-N 3.32Å; S508-K510 PolarHBondContact O-N 3.37Å; K510-T512 PolarHBondContact O-N 3.13Å
511	S	27.5	Very low	36.7	Very low	113 Å²	113	152.4 Å²	152.4	79%	0.79	77%	0.769	S	S	*	*			trans	-61.5	107.3	169.9	-169.5	0	0	0	0	107.9	H509 K513	H509-S511 PolarHBondContact O-N 2.84Å; S511-K513 PolarHBondContact O-N 2.86Å
512	T	28	Very low	37.9	Very low	113 Å²	113	146.4 Å²	146.4	69%	0.693	74%	0.744	S	S	*	*			trans	-60.2	126.2	173.8	41.4	0	0	0	0	108.1	K510 L514	K510-T512 PolarHBondContact O-N 3.13Å; T512-L514 VanDerWaalsContact C-N 3.29Å; T512-L514 PolarHBondContact O-N 3.08Å
513	K	29.1	Very low	39	Very low	209 Å²	209	140.1 Å²	140.1	91%	0.909	72%	0.72	S	S	*	*			trans	-67.4	89.6	176.6	-74.2	-174.2	174.6	-174.5	0	109	S511 K515	S511-K513 PolarHBondContact O-N 2.86Å; K513-K515 PolarHBondContact O-N 2.7Å
514	L	29.8	Very low	40.9	Very low	151 Å²	151	131.4 Å²	131.4	79%	0.791	69%	0.694	S	S	*	*			trans	-61.1	126.9	168	-73.9	171.5	0	0	0	108.3	T512 T516	T512-L514 VanDerWaalsContact C-N 3.29Å; T512-L514 PolarHBondContact O-N 3.08Å; L514-T516 PolarHBondContact O-N 2.85Å
515	K	33.9	Very low	42.2	Very low	188 Å²	188	128.1 Å²	128.1	82%	0.817	68%	0.682	S	S	*	*			trans	-87.5	92.7	-172.7	-165.9	177.8	-178.9	-171.9	0	107.7	K513 S517	K513-K515 PolarHBondContact O-N 2.7Å; K515-S517 PolarHBondContact O-N 3.41Å
516	T	39	Very low	43.4	Very low	141 Å²	141	127 Å²	127	87%	0.865	67%	0.667	S	S	*	*			trans	-74.7	62.9	-169.8	55.5	0	0	0	0	113.3	L514	L514-T516 PolarHBondContact O-N 2.85Å
517	S	36.1	Very low	45.2	Very low	76 Å²	76	128.1 Å²	128.1	53%	0.531	67%	0.667	S	S	.	*			trans	-160.9	92.3	166.8	61.1	0	0	0	0	108.7	K515 T519	K515-S517 PolarHBondContact O-N 3.41Å; S517-T519 PolarHBondContact O-N 3.25Å
518	I	55.5	Low	46.5	Very low	109 Å²	109	130.2 Å²	130.2	56%	0.559	67%	0.665	S	S	*	*			trans	-77.8	119	165.7	-145.8	161.9	0	0	0	106.6	D522 L523 M526	I518-D522 HydrophobicContact CG1-CB 3.76Å; I518-L523 HydrophobicContact CD1-CD2 3.97Å; I518-L523 HydrophobicContact CG1-CD2 4.26Å; I518-L523 HydrophobicContact CG1-CG 4.4Å; I518-L523 HydrophobicContact CG2-CD1 4.41Å; I518-L523 HydrophobicContact CG2-CD2 4.23Å; I518-L523 HydrophobicContact CG2-CG 4.23Å; I518-M526 HydrophobicContact CD1-SD 3.86Å
519	T	70.5	Confident	48	Very low	64 Å²	64	128.2 Å²	128.2	39%	0.393	65%	0.649	S	S	.	*			trans	-87.8	163.8	178.3	73.7	0	0	0	0	110	S517 R521 D522 L523	S517-T519 PolarHBondContact O-N 3.25Å; T519-R521 PolarHBondContact O-N 2.81Å; T519-R521 VanDerWaalsContact O-N 3.1Å; T519-R521 PolarHBondContact OG1-N 3.38Å; T519-D522 WeakPolarHBondContact CA-OD2 3.26Å; T519-D522 WeakPolarHBondContact CB-OD2 3.4Å; T519-D522 WeakPolarHBondContact CG2-OD2 3.26Å; T519-D522 PolarHBondContact N-OD2 2.98Å; T519-D522 PolarHBondContact O-N 3.2Å; T519-D522 PolarHBondContact OG1-N 3.12Å; T519-D522 PolarHBondContact OG1-OD2 3.16Å; T519-L523 PolarHBondContact O-N 2.97Å
520	T	63.4	Low	48.4	Very low	112 Å²	112	123.4 Å²	123.4	69%	0.687	65%	0.647	S	S	*	*	H	α-helix	trans	-56.5	-26.4	171.3	-38.5	0	0	0	0	112.1	V524	T520-V524 WeakPolarHBondContact O-CB 3.46Å; T520-V524 VanDerWaalsContact O-CG2 3.24Å; T520-V524 WeakPolarHBondContact O-CG2 3.13Å; T520-V524 PolarHBondContact O-N 3.49Å
521	R	58.4	Low	48.7	Very low	209 Å²	209	122.8 Å²	122.8	79%	0.789	65%	0.647	S	S	*	*	H	α-helix	trans	-73.6	-37.3	173.4	-68.3	-170.6	178	93.1	-1.4	112.6	T519 L523 V524 W525	T519-R521 PolarHBondContact O-N 2.81Å; T519-R521 VanDerWaalsContact O-N 3.1Å; T519-R521 PolarHBondContact OG1-N 3.38Å; R521-L523 VanDerWaalsContact C-N 3.34Å; R521-V524 PolarHBondContact O-N 3.45Å; R521-W525 WeakPolarHBondContact O-CB 3.03Å; R521-W525 PolarHBondContact O-N 3.37Å
522	D	56.4	Low	49.2	Very low	67 Å²	67	124.2 Å²	124.2	36%	0.358	65%	0.645	S	S	.	*	H	α-helix	trans	-68.8	-36.6	177.8	-53.5	-62.4	0	0	0	110.8	I518 T519 M526	I518-D522 HydrophobicContact CG1-CB 3.76Å; T519-D522 WeakPolarHBondContact CA-OD2 3.26Å; T519-D522 WeakPolarHBondContact CB-OD2 3.4Å; T519-D522 WeakPolarHBondContact CG2-OD2 3.26Å; T519-D522 PolarHBondContact N-OD2 2.98Å; T519-D522 PolarHBondContact O-N 3.2Å; T519-D522 PolarHBondContact OG1-N 3.12Å; T519-D522 PolarHBondContact OG1-OD2 3.16Å; D522-M526 WeakPolarHBondContact O-CB 3.34Å; D522-M526 WeakPolarHBondContact O-CG 3.49Å; D522-M526 PolarHBondContact O-N 2.96Å
523	L	58.5	Low	49.4	Very low	79 Å²	79	130.6 Å²	130.6	41%	0.414	66%	0.657	S	S	.	*	H	α-helix	trans	-67	-45.8	172.1	-67.5	174.4	0	0	0	112.6	I518 T519 R521 W525 M526 L527	I518-L523 HydrophobicContact CD1-CD2 3.97Å; I518-L523 HydrophobicContact CG1-CD2 4.26Å; I518-L523 HydrophobicContact CG1-CG 4.4Å; I518-L523 HydrophobicContact CG2-CD1 4.41Å; I518-L523 HydrophobicContact CG2-CD2 4.23Å; I518-L523 HydrophobicContact CG2-CG 4.23Å; T519-L523 PolarHBondContact O-N 2.97Å; R521-L523 VanDerWaalsContact C-N 3.34Å; L523-W525 VanDerWaalsContact C-N 3.31Å; L523-W525 PolarHBondContact O-N 3.04Å; L523-M526 PolarHBondContact O-N 2.76Å; L523-L527 WeakPolarHBondContact O-CB 3.47Å; L523-L527 WeakPolarHBondContact O-CG 3.37Å; L523-L527 PolarHBondContact O-N 2.81Å
524	V	69.4	Low	49.7	Very low	65 Å²	65	125.5 Å²	125.5	39%	0.394	64%	0.639	S	S	.	*	H	α-helix	trans	-63.8	-38	175.6	167	0	0	0	0	111.2	T520 R521 L527 Q528	T520-V524 WeakPolarHBondContact O-CB 3.46Å; T520-V524 VanDerWaalsContact O-CG2 3.24Å; T520-V524 WeakPolarHBondContact O-CG2 3.13Å; T520-V524 PolarHBondContact O-N 3.49Å; R521-V524 PolarHBondContact O-N 3.45Å; V524-L527 PolarHBondContact O-N 2.82Å; V524-Q528 HydrophobicContact CG1-CG 4.48Å; V524-Q528 WeakPolarHBondContact O-CB 3.39Å; V524-Q528 VanDerWaalsContact O-CG 3.26Å; V524-Q528 WeakPolarHBondContact O-CG 3.4Å; V524-Q528 PolarHBondContact O-N 3.11Å; V524-Q528 VanDerWaalsContact O-N 3.07Å
525	W	58.7	Low	50.4	Low	166 Å²	166	126.7 Å²	126.7	63%	0.629	64%	0.641	S	S	*	*	H	α-helix	trans	-63.8	-50	174.3	-171.1	75	0	0	0	111	R521 L523 L527 Q528 T529	R521-W525 WeakPolarHBondContact O-CB 3.03Å; R521-W525 PolarHBondContact O-N 3.37Å; L523-W525 VanDerWaalsContact C-N 3.31Å; L523-W525 PolarHBondContact O-N 3.04Å; W525-L527 PolarHBondContact O-N 3.07Å; W525-Q528 CarbonylContact O-C 3.43Å; W525-Q528 PolarHBondContact O-N 3.33Å; W525-T529 HydrophobicContact CD2-CG2 4.21Å; W525-T529 HydrophobicContact CG-CG2 4.39Å; W525-T529 HydrophobicContact CZ2-CG2 4.09Å; W525-T529 PolarHBondContact O-N 3.27Å; W525-T529 PolarHBondContact O-OG1 2.86Å
526	M	56.7	Low	50.5	Low	103 Å²	103	126.7 Å²	126.7	51%	0.507	64%	0.641	S	S	.	*	H	α-helix	trans	-57	-32.4	174.3	-79	172.3	51.8	0	0	114	I518 D522 L523	I518-M526 HydrophobicContact CD1-SD 3.86Å; D522-M526 WeakPolarHBondContact O-CB 3.34Å; D522-M526 WeakPolarHBondContact O-CG 3.49Å; D522-M526 PolarHBondContact O-N 2.96Å; L523-M526 PolarHBondContact O-N 2.76Å
527	L	65	Low	50.8	Low	148 Å²	148	123.3 Å²	123.3	78%	0.775	62%	0.62	S	S	*	*	H	α-helix	trans	-79.6	-18	176	-72.8	167.3	0	0	0	113.5	L523 V524 W525	L523-L527 WeakPolarHBondContact O-CB 3.47Å; L523-L527 WeakPolarHBondContact O-CG 3.37Å; L523-L527 PolarHBondContact O-N 2.81Å; V524-L527 PolarHBondContact O-N 2.82Å; W525-L527 PolarHBondContact O-N 3.07Å
528	Q	58	Low	51	Low	150 Å²	150	123.3 Å²	123.3	70%	0.701	62%	0.615	S	S	*	*	H	α-helix	trans	-102.4	-29.3	-179.3	-72.5	175.8	-23.1	0	0	112.9	V524 W525 G530	V524-Q528 HydrophobicContact CG1-CG 4.48Å; V524-Q528 WeakPolarHBondContact O-CB 3.39Å; V524-Q528 VanDerWaalsContact O-CG 3.26Å; V524-Q528 WeakPolarHBondContact O-CG 3.4Å; V524-Q528 PolarHBondContact O-N 3.11Å; V524-Q528 VanDerWaalsContact O-N 3.07Å; W525-Q528 CarbonylContact O-C 3.43Å; W525-Q528 PolarHBondContact O-N 3.33Å; Q528-G530 PolarHBondContact O-N 2.95Å
529	T	56.4	Low	50.7	Low	61 Å²	61	124.4 Å²	124.4	37%	0.374	62%	0.621	S	S	.	*			trans	-97.5	70.3	172.4	63.5	0	0	0	0	109.8	W525 E531	W525-T529 HydrophobicContact CD2-CG2 4.21Å; W525-T529 HydrophobicContact CG-CG2 4.39Å; W525-T529 HydrophobicContact CZ2-CG2 4.09Å; W525-T529 PolarHBondContact O-N 3.27Å; W525-T529 PolarHBondContact O-OG1 2.86Å; T529-E531 PolarHBondContact O-N 3.28Å
530	G	38.4	Very low	49.3	Very low	74 Å²	74	127.1 Å²	127.1	76%	0.763	63%	0.627	S	S	*	*			trans	-68.7	14	-176.3	0	0	0	0	0	116.1	Q528	Q528-G530 PolarHBondContact O-N 2.95Å
531	E	35	Very low	48.5	Very low	180 Å²	180	124.9 Å²	124.9	84%	0.841	61%	0.614	S	S	*	*			trans	-137.9	91	-170.1	-63.5	-171.3	121.7	0	0	111.7	T529	T529-E531 PolarHBondContact O-N 3.28Å
532	D	36.9	Very low	48.1	Very low	143 Å²	143	121.1 Å²	121.1	77%	0.765	60%	0.603	S	S	*	*			trans	-162.9	116.6	139	-123.6	-22	0	0	0	112	N534	D532-N534 PolarHBondContact O-N 3.1Å; D532-N534 PolarHBondContact O-ND2 2.85Å
533	R	31.7	Very low	47.5	Very low	248 Å²	248	123.9 Å²	123.9	94%	0.936	61%	0.614	S	S	*	*			trans	-85.2	113.4	-165.6	-63.7	-178.1	-178.5	-173.9	0.3	112.4
534	N	35.8	Very low	46.9	Very low	101 Å²	101	123.3 Å²	123.3	54%	0.54	61%	0.61	S	S	.	*			trans	-136.4	121	177.6	-69.4	-87.4	0	0	0	110.1	D532 K536 T537	D532-N534 PolarHBondContact O-N 3.1Å; D532-N534 PolarHBondContact O-ND2 2.85Å; N534-K536 PolarHBondContact O-N 2.77Å; N534-T537 PolarHBondContact O-N 3.14Å; N534-T537 PolarHBondContact O-OG1 3.42Å
535	E	44.6	Very low	45.6	Very low	177 Å²	177	125.1 Å²	125.1	83%	0.827	62%	0.617	S	S	*	*	H	α-helix	trans	-52.4	-14.9	-168.8	-59.3	175.6	136	0	0	116.8	D538	E535-D538 WeakPolarHBondContact O-CB 3.32Å
536	K	36.5	Very low	44.9	Very low	188 Å²	188	120.1 Å²	120.1	82%	0.817	61%	0.608	S	S	*	*	H	α-helix	trans	-78.6	-23.3	173.7	-67.4	-179.5	180	175.8	0	114.2	N534	N534-K536 PolarHBondContact O-N 2.77Å
537	T	44.4	Very low	44.1	Very low	70 Å²	70	121.6 Å²	121.6	43%	0.429	62%	0.617	S	S	.	*	H	α-helix	trans	-65.7	-36.3	170.4	58.8	0	0	0	0	109.9	N534 L539 F540 T541	N534-T537 PolarHBondContact O-N 3.14Å; N534-T537 PolarHBondContact O-OG1 3.42Å; T537-L539 VanDerWaalsContact C-N 3.35Å; T537-L539 PolarHBondContact O-N 3.23Å; T537-F540 PolarHBondContact O-N 3.28Å; T537-F540 VanDerWaalsContact O-N 3.07Å; T537-T541 WeakPolarHBondContact O-CG2 3.37Å; T537-T541 PolarHBondContact O-N 2.85Å; T537-T541 PolarHBondContact O-OG1 2.69Å; T537-T541 VanDerWaalsContact O-OG1 3.05Å
538	D	41.4	Very low	42.9	Very low	76 Å²	76	122.8 Å²	122.8	41%	0.406	62%	0.616	S	S	.	*	H	α-helix	trans	-63.5	-32.9	-171.9	-127.9	62.5	0	0	0	114.2	E535 T541 K542	E535-D538 WeakPolarHBondContact O-CB 3.32Å; D538-T541 WeakPolarHBondContact CA-OG1 3.42Å; D538-T541 PolarHBondContact O-OG1 2.93Å; D538-K542 VanDerWaalsContact O-CB 3.26Å; D538-K542 WeakPolarHBondContact O-CB 3.38Å; D538-K542 VanDerWaalsContact O-CD 3.28Å; D538-K542 WeakPolarHBondContact O-CD 3.29Å; D538-K542 WeakPolarHBondContact O-CG 3.45Å; D538-K542 PolarHBondContact O-N 2.65Å; D538-K542 VanDerWaalsContact O-N 3.13Å; D538-K542 IonicContact OD2-NZ 2.65Å; D538-K542 PolarHBondContact OD2-NZ 2.79Å
539	L	48.6	Very low	41.9	Very low	131 Å²	131	119.7 Å²	119.7	69%	0.686	61%	0.608	S	S	*	*	H	α-helix	trans	-72	-44.4	171.6	-84.5	81.8	0	0	0	111.3	T537 K542 E543	T537-L539 VanDerWaalsContact C-N 3.35Å; T537-L539 PolarHBondContact O-N 3.23Å; L539-K542 PolarHBondContact O-N 3.22Å; L539-E543 VanDerWaalsContact O-CB 3.29Å; L539-E543 WeakPolarHBondContact O-CB 3.5Å; L539-E543 PolarHBondContact O-N 2.63Å
540	F	40.9	Very low	40.9	Very low	122 Å²	122	124.5 Å²	124.5	54%	0.535	63%	0.626	S	S	.	*	H	α-helix	trans	-71.2	-33.9	-177.4	-170.9	-113.1	0	0	0	112.5	T537 L544	T537-F540 PolarHBondContact O-N 3.28Å; T537-F540 VanDerWaalsContact O-N 3.07Å; F540-L544 HydrophobicContact CD1-CD1 3.99Å; F540-L544 HydrophobicContact CE1-CD1 3.57Å; F540-L544 HydrophobicContact CE1-CG 4.44Å; F540-L544 HydrophobicContact CZ-CD1 3.9Å; F540-L544 HydrophobicContact CZ-CG 4.41Å; F540-L544 WeakPolarHBondContact O-CB 3.46Å; F540-L544 WeakPolarHBondContact O-CG 3.46Å; F540-L544 PolarHBondContact O-N 2.96Å
541	T	46.4	Very low	40.5	Very low	65 Å²	65	128.5 Å²	128.5	40%	0.399	63%	0.63	S	S	.	*	H	α-helix	trans	-73.7	-32.3	171.8	55.3	0	0	0	0	112	T537 D538 L545	T537-T541 WeakPolarHBondContact O-CG2 3.37Å; T537-T541 PolarHBondContact O-N 2.85Å; T537-T541 PolarHBondContact O-OG1 2.69Å; T537-T541 VanDerWaalsContact O-OG1 3.05Å; D538-T541 WeakPolarHBondContact CA-OG1 3.42Å; D538-T541 PolarHBondContact O-OG1 2.93Å; T541-L545 VanDerWaalsContact O-CB 3.28Å; T541-L545 WeakPolarHBondContact O-CB 3.45Å; T541-L545 VanDerWaalsContact O-CD1 3.26Å; T541-L545 WeakPolarHBondContact O-CD1 3.34Å; T541-L545 PolarHBondContact O-N 3.29Å
542	K	49.8	Very low	40.2	Very low	130 Å²	130	126.5 Å²	126.5	57%	0.565	63%	0.631	S	S	*	*	H	α-helix	trans	-69.8	-40.5	170.9	-78.3	167.6	-179.7	150	0	112.4	D538 L539 L545 S546	D538-K542 VanDerWaalsContact O-CB 3.26Å; D538-K542 WeakPolarHBondContact O-CB 3.38Å; D538-K542 VanDerWaalsContact O-CD 3.28Å; D538-K542 WeakPolarHBondContact O-CD 3.29Å; D538-K542 WeakPolarHBondContact O-CG 3.45Å; D538-K542 PolarHBondContact O-N 2.65Å; D538-K542 VanDerWaalsContact O-N 3.13Å; D538-K542 IonicContact OD2-NZ 2.65Å; D538-K542 PolarHBondContact OD2-NZ 2.79Å; L539-K542 PolarHBondContact O-N 3.22Å; K542-L545 PolarHBondContact O-N 2.73Å; K542-S546 WeakPolarHBondContact O-CB 3.41Å; K542-S546 PolarHBondContact O-N 3.25Å
543	E	44.8	Very low	39.9	Very low	125 Å²	125	124.4 Å²	124.4	58%	0.584	63%	0.633	S	S	*	*	H	α-helix	trans	-62.6	-44.9	175	-169.5	169.1	-138	0	0	110.8	L539 L547	L539-E543 VanDerWaalsContact O-CB 3.29Å; L539-E543 WeakPolarHBondContact O-CB 3.5Å; L539-E543 PolarHBondContact O-N 2.63Å; E543-L547 WeakPolarHBondContact O-CG 3.22Å; E543-L547 PolarHBondContact O-N 2.79Å
544	L	45.5	Very low	39.8	Very low	66 Å²	66	117.8 Å²	117.8	35%	0.346	63%	0.625	S	S	.	*	H	α-helix	trans	-68.9	-39.6	172.6	-72.6	175.7	0	0	0	113.6	F540 L547 F548	F540-L544 HydrophobicContact CD1-CD1 3.99Å; F540-L544 HydrophobicContact CE1-CD1 3.57Å; F540-L544 HydrophobicContact CE1-CG 4.44Å; F540-L544 HydrophobicContact CZ-CD1 3.9Å; F540-L544 HydrophobicContact CZ-CG 4.41Å; F540-L544 WeakPolarHBondContact O-CB 3.46Å; F540-L544 WeakPolarHBondContact O-CG 3.46Å; F540-L544 PolarHBondContact O-N 2.96Å; L544-L547 PolarHBondContact O-N 3.47Å; L544-F548 HydrophobicContact CD2-CE2 4.47Å; L544-F548 WeakPolarHBondContact O-CD2 3.49Å; L544-F548 PolarHBondContact O-N 3.24Å; L544-F548 VanDerWaalsContact O-N 3.14Å
545	L	42.3	Very low	39.7	Very low	103 Å²	103	119.9 Å²	119.9	54%	0.539	64%	0.641	S	S	.	*	H	α-helix	trans	-63	-44.7	175.1	-102.5	70.1	0	0	0	110.7	T541 K542 L547 F548 T549	T541-L545 VanDerWaalsContact O-CB 3.28Å; T541-L545 WeakPolarHBondContact O-CB 3.45Å; T541-L545 VanDerWaalsContact O-CD1 3.26Å; T541-L545 WeakPolarHBondContact O-CD1 3.34Å; T541-L545 PolarHBondContact O-N 3.29Å; K542-L545 PolarHBondContact O-N 2.73Å; L545-L547 PolarHBondContact O-N 2.96Å; L545-F548 CarbonylContact O-C 3.57Å; L545-F548 WeakPolarHBondContact O-CA 3.31Å; L545-F548 PolarHBondContact O-N 3.46Å; L545-T549 HydrophobicContact CB-CG2 4.47Å; L545-T549 HydrophobicContact CG-CG2 4.29Å; L545-T549 WeakPolarHBondContact O-CB 3.34Å; L545-T549 WeakPolarHBondContact O-CG2 3.4Å; L545-T549 PolarHBondContact O-N 3.19Å; L545-T549 PolarHBondContact O-OG1 3.02Å
546	S	42.9	Very low	38.8	Very low	62 Å²	62	116.1 Å²	116.1	43%	0.434	64%	0.635	S	S	.	*	H	α-helix	trans	-57.2	-37.7	177.1	-141.8	0	0	0	0	111.8	K542 F548	K542-S546 WeakPolarHBondContact O-CB 3.41Å; K542-S546 PolarHBondContact O-N 3.25Å; S546-F548 VanDerWaalsContact C-N 3.29Å; S546-F548 PolarHBondContact O-N 2.84Å
547	L	41.9	Very low	38.2	Very low	134 Å²	134	115 Å²	115	70%	0.702	64%	0.637	S	S	*	*	H	α-helix	trans	-73	-12.9	174.2	-69.6	168	0	0	0	114.7	E543 L544 L545	E543-L547 WeakPolarHBondContact O-CG 3.22Å; E543-L547 PolarHBondContact O-N 2.79Å; L544-L547 PolarHBondContact O-N 3.47Å; L545-L547 PolarHBondContact O-N 2.96Å
548	F	37.9	Very low	37.4	Very low	172 Å²	172	115.4 Å²	115.4	75%	0.754	64%	0.636	S	S	*	*	H	α-helix	trans	-117.9	-8.4	-179.4	-76.4	-58.4	0	0	0	114.9	L544 L545 S546	L544-F548 HydrophobicContact CD2-CE2 4.47Å; L544-F548 WeakPolarHBondContact O-CD2 3.49Å; L544-F548 PolarHBondContact O-N 3.24Å; L544-F548 VanDerWaalsContact O-N 3.14Å; L545-F548 CarbonylContact O-C 3.57Å; L545-F548 WeakPolarHBondContact O-CA 3.31Å; L545-F548 PolarHBondContact O-N 3.46Å; S546-F548 VanDerWaalsContact C-N 3.29Å; S546-F548 PolarHBondContact O-N 2.84Å
549	T	37.5	Very low	36.8	Very low	86 Å²	86	116.9 Å²	116.9	53%	0.528	64%	0.643	S	S	.	*	H	α-helix	trans	-124.5	0.2	-173.5	67.3	0	0	0	0	115.8	L545 N551	L545-T549 HydrophobicContact CB-CG2 4.47Å; L545-T549 HydrophobicContact CG-CG2 4.29Å; L545-T549 WeakPolarHBondContact O-CB 3.34Å; L545-T549 WeakPolarHBondContact O-CG2 3.4Å; L545-T549 PolarHBondContact O-N 3.19Å; L545-T549 PolarHBondContact O-OG1 3.02Å; T549-N551 PolarHBondContact O-N 2.8Å
550	E	35.5	Very low	35.9	Very low	162 Å²	162	119.6 Å²	119.6	76%	0.757	65%	0.652	S	S	*	*	S	Bend	trans	-71.7	123.2	171.4	-75.1	-166.4	161.9	0	0	111
551	N	30.6	Very low	35.4	Very low	157 Å²	157	121.4 Å²	121.4	84%	0.84	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-77.8	140.9	-158.4	-97.5	-38	0	0	0	114.3	T549	T549-N551 PolarHBondContact O-N 2.8Å
552	T	28.6	Very low	34.5	Very low	139 Å²	139	122 Å²	122	85%	0.853	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-69.9	128.3	169.4	52.2	0	0	0	0	112.2
553	A	29.5	Very low	33.6	Very low	98 Å²	98	126.2 Å²	126.2	81%	0.81	69%	0.693	S	S	*	*			trans	-132.9	74.7	167.7	0	0	0	0	0	111.7
554	S	30.4	Very low	32.9	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	70%	0.701	S	S	*	*			trans	32.3	104.7	152.3	-57.4	0	0	0	0	120.2
555	T	33.6	Very low	32	Very low	144 Å²	144	134.7 Å²	134.7	88%	0.883	73%	0.725	S	S	*	*				172.1	143	111.4	33.1	0	0	0	0	111.4
556	S	24.9	Very low	31.5	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	74%	0.738	S	S	*	*			cis	-153	118.7	-32	56.4	0	0	0	0	110.5
557	L	24.6	Very low	30.8	Very low	165 Å²	165	143.8 Å²	143.8	86%	0.864	76%	0.757	S	S	*	*			trans	45.2	95.1	150.6	-64.7	165.4	0	0	0	117.8
558	L	27.1	Very low	30.2	Very low	78 Å²	78	142 Å²	142	41%	0.408	76%	0.756	S	S	.	*				-151.3	171.9	112.1	-131.4	119.7	0	0	0	115.6	E560 H645 I649	L558-E560 PolarHBondContact O-N 3.37Å; L558-H645 WeakPolarHBondContact CB-CE1 3.15Å; L558-H645 WeakPolarHBondContact CB-NE2 3.38Å; L558-H645 VanDerWaalsContact CD1-CE1 3.48Å; L558-H645 WeakPolarHBondContact CD1-CE1 3.26Å; L558-H645 WeakPolarHBondContact CD1-ND1 3.19Å; L558-H645 WeakPolarHBondContact CD2-CE1 3.36Å; L558-H645 WeakPolarHBondContact CD2-ND1 3.48Å; L558-H645 VanDerWaalsContact CG-CE1 3.45Å; L558-H645 WeakPolarHBondContact CG-CE1 3.19Å; L558-I649 HydrophobicContact CD1-CD1 3.74Å; L558-I649 HydrophobicContact CD1-CG1 4.11Å; L558-I649 HydrophobicContact CD2-CD1 4.14Å; L558-I649 HydrophobicContact CD2-CG1 3.51Å; L558-I649 HydrophobicContact CG-CD1 4.37Å; L558-I649 HydrophobicContact CG-CG1 4.26Å
559	L	30.3	Very low	29.9	Very low	107 Å²	107	145.9 Å²	145.9	56%	0.56	77%	0.766	S	S	*	*			trans	-90.3	94.7	-146.9	-168.1	70	0	0	0	114
560	E	28.4	Very low	29.7	Very low	187 Å²	187	147.1 Å²	147.1	87%	0.874	78%	0.778	S	S	*	*			trans	-75.6	121.9	156.3	-178.5	178.2	-148.2	0	0	110.2	L558	L558-E560 PolarHBondContact O-N 3.37Å
561	Q	30	Very low	29.7	Very low	161 Å²	161	146.9 Å²	146.9	75%	0.752	78%	0.781	S	S	*	*			trans	-170.5	135.4	163.5	-113.3	169.9	53.9	0	0	109.8
562	G	29.2	Very low	29.9	Very low	76 Å²	76	145.6 Å²	145.6	78%	0.784	77%	0.774	S	S	*	*			trans	160.6	9.1	169.3	0	0	0	0	0	122.3
563	R	29.9	Very low	30.6	Very low	219 Å²	219	144.6 Å²	144.6	83%	0.826	77%	0.768	S	S	*	*	S	Bend	trans	-132.7	107.1	174.1	-78.3	-162.8	170.4	-161.2	-1.5	116.5
564	R	30.1	Very low	31.1	Very low	197 Å²	197	144.9 Å²	144.9	74%	0.743	76%	0.756	S	S	*	*			trans	61.9	79.1	146.6	-63.9	-177.8	169.7	173.2	-4.1	117.6
565	M	27.3	Very low	31.9	Very low	172 Å²	172	145.2 Å²	145.2	85%	0.847	75%	0.753	S	S	*	*			trans	-75.2	145.3	133.9	-74.9	-136.7	-70.2	0	0	110.2
566	H	30.7	Very low	32	Very low	177 Å²	177	142.5 Å²	142.5	82%	0.819	75%	0.745	S	S	*	*			trans	-71.6	135.5	159	-92.1	-121.1	0	0	0	108.9
567	Q	28.6	Very low	32.9	Very low	179 Å²	179	144 Å²	144	84%	0.836	74%	0.736	S	S	*	*			trans	-118	126.4	152.8	-78.2	-168.8	-11	0	0	108.9
568	S	28.7	Very low	33.6	Very low	96 Å²	96	142.1 Å²	142.1	67%	0.671	73%	0.727	S	S	*	*			trans	-161.2	117.8	175.1	-73.7	0	0	0	0	108.1
569	R	33.4	Very low	34.4	Very low	254 Å²	254	145.7 Å²	145.7	96%	0.958	75%	0.745	S	S	*	*	S	Bend	trans	85.3	137.3	-173.3	-54.2	170	-179.6	-82.2	-7.5	114.2
570	S	31.6	Very low	34.9	Very low	112 Å²	112	147.8 Å²	147.8	78%	0.783	76%	0.756	S	S	*	*			trans	-90.1	157	-170.7	47.7	0	0	0	0	113.1
571	L	36.2	Very low	35.1	Very low	157 Å²	157	144.9 Å²	144.9	82%	0.822	75%	0.746	S	S	*	*			trans	-157.1	119.7	154.2	-101.5	141.3	0	0	0	110.5
572	D	34.4	Very low	35.5	Very low	130 Å²	130	145.7 Å²	145.7	70%	0.695	75%	0.75	S	S	*	*			trans	38.2	100.6	156.5	-52	-24.9	0	0	0	121.6	N574	D572-N574 PolarHBondContact O-N 3.07Å
573	T	44.7	Very low	35.6	Very low	118 Å²	118	146.7 Å²	146.7	72%	0.724	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	39.7	176.5	53.8	0	0	0	0	114.7	R577	T573-R577 PolarHBondContact O-NH1 2.72Å; T573-R577 PolarHBondContact O-NH2 2.95Å
574	N	39	Very low	35.4	Very low	105 Å²	105	141.4 Å²	141.4	56%	0.561	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	-14.2	-170.6	-77.1	-22.8	0	0	0	116.9	D572 R577	D572-N574 PolarHBondContact O-N 3.07Å; N574-R577 PolarHBondContact OD1-NH1 3.24Å
575	V	46.9	Very low	35.5	Very low	116 Å²	116	138.6 Å²	138.6	70%	0.703	74%	0.741	S	S	*	*	S	Bend	trans	-96.1	-26.1	-179.5	-176	0	0	0	0	112.9	R577	V575-R577 PolarHBondContact O-N 2.68Å
576	A	35.1	Very low	35.7	Very low	87 Å²	87	138.6 Å²	138.6	72%	0.719	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	11.7	-175.6	0	0	0	0	0	115
577	R	43.9	Very low	35.6	Very low	131 Å²	131	135 Å²	135	49%	0.494	73%	0.734	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.1	-19.9	-177.1	-161.1	175.4	-68.5	101.8	1.4	113.2	T573 N574 V575 N581	T573-R577 PolarHBondContact O-NH1 2.72Å; T573-R577 PolarHBondContact O-NH2 2.95Å; N574-R577 PolarHBondContact OD1-NH1 3.24Å; V575-R577 PolarHBondContact O-N 2.68Å; R577-N581 PolarHBondContact O-ND2 3.11Å
578	D	41	Very low	35.9	Very low	126 Å²	126	131.8 Å²	131.8	67%	0.674	73%	0.728	S	S	*	*	S	Bend	trans	-104.4	-0.8	-168.3	-53.3	-21.5	0	0	0	113.2
579	L	42.8	Very low	36	Very low	152 Å²	152	133.4 Å²	133.4	80%	0.796	73%	0.729	S	S	*	*	S	Bend	trans	-106.6	8.5	177.3	-67.7	175.3	0	0	0	113.8
580	L	41.3	Very low	35.8	Very low	152 Å²	152	128.3 Å²	128.3	80%	0.796	72%	0.721	S	S	*	*	S	Bend	trans	-131.7	10.2	180	-68.6	173.4	0	0	0	113.2
581	N	32.8	Very low	35.8	Very low	125 Å²	125	129.9 Å²	129.9	67%	0.668	72%	0.72	S	S	*	*			trans	-121.1	57.6	179.3	-77.1	-29.6	0	0	0	110.9	R577	R577-N581 PolarHBondContact O-ND2 3.11Å
582	E	38.5	Very low	35.4	Very low	179 Å²	179	126.6 Å²	126.6	84%	0.836	71%	0.71	S	S	*	*			trans	-128	143.9	160.4	-104.3	-59.8	167.8	0	0	108.8
583	S	30.1	Very low	35.1	Very low	97 Å²	97	127.2 Å²	127.2	68%	0.678	71%	0.714	S	S	*	*			trans	-152.5	145.3	-145.5	65.6	0	0	0	0	116.6
584	S	26.6	Very low	34.4	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	72%	0.715	S	S	*	*			trans	71.1	152.6	176.7	-127.8	0	0	0	0	113.3
585	L	32.2	Very low	33.9	Very low	137 Å²	137	129.8 Å²	129.8	72%	0.717	73%	0.727	S	S	*	*			cis	-138.9	144.1	25.1	-72.8	156.8	0	0	0	114
586	Q	31.9	Very low	33	Very low	173 Å²	173	131.4 Å²	131.4	81%	0.808	73%	0.73	S	S	*	*			trans	52.3	119.7	138.2	-67.9	164.7	-30.2	0	0	123.1
587	S	28.9	Very low	32.7	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	73%	0.729	S	S	*	*			trans	-84.3	170.6	154.1	67.6	0	0	0	0	111.7
588	P	34.7	Very low	32	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	75%	0.748	S	S	*	*				-153.7	153.8	76.7	39.4	-19.4	0	0	0	119.2
589	N	29.4	Very low	31.5	Very low	129 Å²	129	134 Å²	134	69%	0.69	76%	0.756	S	S	*	*			trans	6.7	137.5	143.8	-43.7	-22.5	0	0	0	120.6
590	N	29.5	Very low	30.9	Very low	147 Å²	147	131.5 Å²	131.5	79%	0.786	76%	0.757	S	S	*	*				179.8	157.1	97.8	-97.4	-47.1	0	0	0	116.9
591	L	32.6	Very low	30.6	Very low	146 Å²	146	132.4 Å²	132.4	76%	0.764	76%	0.762	S	S	*	*			trans	62	89.9	148.6	-68	165.8	0	0	0	122.5
592	S	27.3	Very low	30.6	Very low	87 Å²	87	131 Å²	131	61%	0.608	76%	0.759	S	S	*	*				61.8	132	115.6	65.2	0	0	0	0	124.6
593	N	28.6	Very low	30.4	Very low	144 Å²	144	130.8 Å²	130.8	77%	0.77	76%	0.758	S	S	*	*			trans	92	141.8	143.3	-63	-11.9	0	0	0	121.7
594	T	30.5	Very low	30.5	Very low	124 Å²	124	131.7 Å²	131.7	76%	0.761	76%	0.76	S	S	*	*			trans	51	102.5	157	46.5	0	0	0	0	118
595	L	27.5	Very low	30.7	Very low	153 Å²	153	134.3 Å²	134.3	80%	0.801	77%	0.765	S	S	*	*				86.3	121.6	74.9	-90.9	170.7	0	0	0	114.3
596	L	28.6	Very low	30.7	Very low	149 Å²	149	132.2 Å²	132.2	78%	0.78	76%	0.761	S	S	*	*			trans	67.8	110.6	162.8	-61.2	175.8	0	0	0	118.5
597	T	28.7	Very low	30.8	Very low	114 Å²	114	129.4 Å²	129.4	70%	0.699	76%	0.756	S	S	*	*				16	119.8	129.1	54.2	0	0	0	0	118
598	D	29.1	Very low	31	Very low	166 Å²	166	130.8 Å²	130.8	89%	0.888	76%	0.756	S	S	*	*				-155.1	159	98.4	-104.9	-25.7	0	0	0	112.2
599	S	29.8	Very low	31.2	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	75%	0.75	S	S	*	*			trans	-131.9	86	-178.1	62.2	0	0	0	0	111.7
600	A	31.1	Very low	31.4	Very low	99 Å²	99	133.8 Å²	133.8	82%	0.818	75%	0.753	S	S	*	*			trans	-142.5	135	168.1	0	0	0	0	0	110.2
601	L	34.5	Very low	31.8	Very low	170 Å²	170	129.6 Å²	129.6	89%	0.89	74%	0.736	S	S	*	*			trans	-93.5	167.1	169.8	-88.3	169.7	0	0	0	109.7
602	P	33.5	Very low	31.8	Very low	95 Å²	95	127.7 Å²	127.7	62%	0.617	73%	0.725	S	S	*	*				-111.4	-167.4	-126.3	42.8	-39.8	0	0	0	115.2
603	E	33.5	Very low	32.3	Very low	175 Å²	175	125.1 Å²	125.1	82%	0.818	71%	0.712	S	S	*	*			trans	74.1	138.9	166.7	-61.4	169.6	-176	0	0	115.2
604	T	31.6	Very low	32.5	Very low	117 Å²	117	124.9 Å²	124.9	72%	0.718	72%	0.716	S	S	*	*			cis	-156.3	166.7	-11.1	11.7	0	0	0	0	109.5
605	L	31	Very low	32.6	Very low	163 Å²	163	125.5 Å²	125.5	85%	0.853	72%	0.719	S	S	*	*			trans	23.2	136.8	148.2	-60.3	159.6	0	0	0	120.1
606	S	32.1	Very low	32.7	Very low	92 Å²	92	123.5 Å²	123.5	64%	0.643	72%	0.718	S	S	*	*			cis	-178.8	158.1	-0.7	46.5	0	0	0	0	112.6
607	T	34.5	Very low	32.8	Very low	115 Å²	115	121.2 Å²	121.2	71%	0.706	71%	0.714	S	S	*	*			trans	69.3	120	155.9	34.3	0	0	0	0	123
608	D	33.9	Very low	32.9	Very low	129 Å²	129	123.6 Å²	123.6	69%	0.69	72%	0.718	S	S	*	*				63.6	147.4	129.1	-66.2	20.3	0	0	0	122.9
609	Q	37	Very low	32.8	Very low	129 Å²	129	122.7 Å²	122.7	60%	0.603	71%	0.71	S	S	*	*			cis	-166.7	143.2	-10.7	-115.1	-175	77.4	0	0	112.1
610	K	35.3	Very low	32.9	Very low	175 Å²	175	122.8 Å²	122.8	76%	0.761	71%	0.706	S	S	*	*			trans	65.6	159.8	148.7	-73.4	176.5	178.7	146.4	0	122.1
611	S	36.3	Very low	32.7	Very low	60 Å²	60	124.9 Å²	124.9	42%	0.42	70%	0.703	S	S	.	*			cis	175.7	157.2	-26.3	61.6	0	0	0	0	114.4	T339	T339-S611 CarbonylContact O-C 3.55Å
612	I	34.1	Very low	32.5	Very low	106 Å²	106	123.8 Å²	123.8	54%	0.544	70%	0.696	S	S	.	*			trans	74.9	136.8	156	-60.3	154.2	0	0	0	118	S338 T339 I340	S338-I612 PolarHBondContact O-N 3.21Å; S338-I612 WeakPolarHBondContact OG-CG1 3.47Å; T339-I612 PolarHBondContact O-N 3.34Å; I340-I612 WeakPolarHBondContact CD1-O 3.48Å
613	G	36.4	Very low	32.4	Very low	32 Å²	32	125.7 Å²	125.7	33%	0.33	70%	0.702	S	S	.	*			cis	147.8	154.9	-6.4	0	0	0	0	0	116.1
614	T	34.1	Very low	32	Very low	139 Å²	139	123 Å²	123	85%	0.853	70%	0.702	S	S	*	*			trans	61.8	167.7	172.7	45.6	0	0	0	0	118.5
615	V	31.2	Very low	31.8	Very low	137 Å²	137	124.9 Å²	124.9	83%	0.83	71%	0.707	S	S	*	*			cis	-126.9	-149.3	4.2	-132.7	0	0	0	0	110.3
616	S	31.3	Very low	31.5	Very low	111 Å²	111	120.6 Å²	120.6	78%	0.776	69%	0.689	S	S	*	*			cis	-157.2	-163.7	8.6	-156.3	0	0	0	0	112.7
617	S	30.2	Very low	31.4	Very low	101 Å²	101	125.5 Å²	125.5	71%	0.706	70%	0.702	S	S	*	*			trans	-106.8	-175.1	175.5	-54.2	0	0	0	0	112.3
618	E	30	Very low	30.9	Very low	164 Å²	164	129 Å²	129	77%	0.766	70%	0.704	S	S	*	*			cis	-166.1	151.4	20.7	-151.9	160.7	-152.6	0	0	116.1
619	M	27.8	Very low	30.6	Very low	148 Å²	148	131.6 Å²	131.6	73%	0.729	71%	0.712	S	S	*	*			trans	56	145.6	149.7	-85	165.9	47.8	0	0	126.9
620	T	31.8	Very low	30.2	Very low	122 Å²	122	130 Å²	130	75%	0.748	72%	0.715	S	S	*	*			trans	61.5	112.1	162.2	49.2	0	0	0	0	118.7
621	N	27.6	Very low	29.8	Very low	142 Å²	142	128.9 Å²	128.9	76%	0.759	72%	0.717	S	S	*	*				67.6	90.9	57.3	-173.4	20.3	0	0	0	114.8
622	I	30.7	Very low	29.5	Very low	147 Å²	147	135.3 Å²	135.3	75%	0.754	74%	0.738	S	S	*	*				-157.6	147.4	108.9	-8	165.5	0	0	0	112.3
623	N	29.4	Very low	29.1	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	75%	0.752	S	S	*	*			trans	43.4	96.7	150.6	-63.7	-9.6	0	0	0	122.3
624	S	26.2	Very low	28.8	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	78%	0.775	S	S	*	*				44.1	107.3	124	64.6	0	0	0	0	121.7
625	L	27.6	Very low	28.7	Very low	157 Å²	157	142.7 Å²	142.7	82%	0.822	77%	0.77	S	S	*	*			trans	-150.7	153.7	130.3	-167	56.9	0	0	0	109.9
626	C	24.7	Very low	28.9	Very low	73 Å²	73	142.1 Å²	142.1	49%	0.493	77%	0.769	S	S	.	*			trans	-77.6	147.7	-170.9	-50.7	0	0	0	0	114.1	D377	D377-C626 WeakPolarHBondContact OD2-CB 3.12Å; D377-C626 PolarHBondContact OD2-SG 3.11Å
627	Q	29.3	Very low	28.8	Very low	196 Å²	196	143.3 Å²	143.3	92%	0.916	77%	0.767	S	S	*	*			trans	-150	125.8	145	-114.6	171.4	12.6	0	0	110.6
628	Y	24.9	Very low	28.9	Very low	187 Å²	187	144.1 Å²	144.1	73%	0.733	77%	0.773	S	S	*	*			trans	-81.8	129.2	170	-93.4	-115.2	0	0	0	109.3
629	Q	27.3	Very low	28.9	Very low	184 Å²	184	141.6 Å²	141.6	86%	0.86	77%	0.773	S	S	*	*				-171.3	132.2	124.3	-106.9	169.1	3.9	0	0	115.4
630	S	27.7	Very low	29.4	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	78%	0.777	S	S	*	*			trans	80.6	116.7	144.3	79	0	0	0	0	121.9
631	N	28.1	Very low	29.8	Very low	151 Å²	151	140 Å²	140	81%	0.807	77%	0.767	S	S	*	*				93.5	124.1	129.4	-62.5	-11.5	0	0	0	122.8
632	K	28.6	Very low	30.7	Very low	195 Å²	195	139 Å²	139	85%	0.848	77%	0.767	S	S	*	*			trans	77.1	89.1	160.7	-65.2	-174.3	177.2	-179.1	0	119.3
633	P	27.4	Very low	31.9	Very low	130 Å²	130	136.2 Å²	136.2	84%	0.844	76%	0.76	S	S	*	*			trans	-75.1	147.7	152.1	33.5	-33	0	0	0	111.5
634	I	30.2	Very low	33.1	Very low	159 Å²	159	135.7 Å²	135.7	82%	0.815	76%	0.757	S	S	*	*			trans	-106.9	150.7	173.1	-66.7	172.2	0	0	0	108.8
635	L	31	Very low	34.6	Very low	143 Å²	143	134.4 Å²	134.4	75%	0.749	74%	0.738	S	S	*	*			trans	-57.9	144.5	-179.6	-82.2	71.9	0	0	0	113.5
636	P	34.5	Very low	36.2	Very low	125 Å²	125	132 Å²	132	81%	0.812	72%	0.723	S	S	*	*			trans	-110.7	141.2	139.9	34.9	-27.8	0	0	0	111.2
637	N	29.5	Very low	38.1	Very low	136 Å²	136	134 Å²	134	73%	0.727	72%	0.724	S	S	*	*			trans	-99.6	148.8	-177.5	-90.9	-39.4	0	0	0	113.6
638	S	32.4	Very low	39.4	Very low	118 Å²	118	127.5 Å²	127.5	83%	0.825	70%	0.7	S	S	*	*			trans	79.3	152	145.8	76.8	0	0	0	0	122.5
639	S	30.4	Very low	41.8	Very low	112 Å²	112	121.8 Å²	121.8	78%	0.783	68%	0.681	S	S	*	*			trans	108.4	23.7	149.4	-154.2	0	0	0	0	121.7
640	V	37.5	Very low	43.9	Very low	131 Å²	131	119.3 Å²	119.3	79%	0.794	67%	0.667	S	S	*	*			trans	-151.5	149.7	156.1	-108.3	0	0	0	0	107.6
641	D	41.4	Very low	45.9	Very low	104 Å²	104	119.1 Å²	119.1	56%	0.556	66%	0.656	S	S	*	*			cis	-151.3	41.3	19.8	-136.4	-30.7	0	0	0	112.8	S643	D641-S643 VanDerWaalsContact C-N 3.29Å; D641-S643 PolarHBondContact O-N 2.79Å; D641-S643 VanDerWaalsContact O-N 3.12Å
642	T	46.7	Very low	48	Very low	122 Å²	122	114.4 Å²	114.4	75%	0.748	63%	0.63	S	S	*	*	H	α-helix	trans	-67.5	-15.7	-162.9	53.9	0	0	0	0	116.5	Q646	T642-Q646 PolarHBondContact O-N 2.74Å
643	S	55.2	Low	50.2	Low	88 Å²	88	109.6 Å²	109.6	62%	0.615	62%	0.618	S	S	*	*	H	α-helix	trans	-75.2	-44.7	-176.3	61.9	0	0	0	0	112.8	D641 H645 Q646 H647	D641-S643 VanDerWaalsContact C-N 3.29Å; D641-S643 PolarHBondContact O-N 2.79Å; D641-S643 VanDerWaalsContact O-N 3.12Å; S643-H645 VanDerWaalsContact C-N 3.25Å; S643-H645 PolarHBondContact O-N 2.84Å; S643-Q646 PolarHBondContact O-N 2.98Å; S643-H647 PolarHBondContact O-N 3.07Å
644	L	54.5	Low	52.3	Low	125 Å²	125	110.3 Å²	110.3	65%	0.654	60%	0.603	S	S	*	*	H	α-helix	trans	-63.1	-37.4	178.7	-165.3	154.1	0	0	0	110.1	H647 C648	L644-H647 WeakPolarHBondContact O-CB 3.26Å; L644-H647 PolarHBondContact O-N 3.46Å; L644-C648 PolarHBondContact O-N 2.96Å
645	H	57.7	Low	54.2	Low	91 Å²	91	108.3 Å²	108.3	42%	0.421	59%	0.59	S	S	.	*	H	α-helix	trans	-69.1	-40.9	179.4	-137.7	-21	0	0	0	113.4	L558 S643 H647 C648 I649	L558-H645 WeakPolarHBondContact CB-CE1 3.15Å; L558-H645 WeakPolarHBondContact CB-NE2 3.38Å; L558-H645 VanDerWaalsContact CD1-CE1 3.48Å; L558-H645 WeakPolarHBondContact CD1-CE1 3.26Å; L558-H645 WeakPolarHBondContact CD1-ND1 3.19Å; L558-H645 WeakPolarHBondContact CD2-CE1 3.36Å; L558-H645 WeakPolarHBondContact CD2-ND1 3.48Å; L558-H645 VanDerWaalsContact CG-CE1 3.45Å; L558-H645 WeakPolarHBondContact CG-CE1 3.19Å; S643-H645 VanDerWaalsContact C-N 3.25Å; S643-H645 PolarHBondContact O-N 2.84Å; H645-H647 VanDerWaalsContact C-N 3.31Å; H645-H647 PolarHBondContact O-N 3.21Å; H645-C648 PolarHBondContact O-N 2.79Å; H645-I649 PolarHBondContact O-N 2.85Å; H645-I649 VanDerWaalsContact O-N 3.13Å
646	Q	61	Low	56.3	Low	107 Å²	107	105.6 Å²	105.6	50%	0.5	58%	0.577	S	S	.	*	H	α-helix	trans	-61.9	-37.2	170.1	-85.8	-154.2	19.5	0	0	112.6	T642 S643 C648 I649 K650	T642-Q646 PolarHBondContact O-N 2.74Å; S643-Q646 PolarHBondContact O-N 2.98Å; Q646-C648 VanDerWaalsContact C-N 3.33Å; Q646-I649 PolarHBondContact O-N 3.44Å; Q646-K650 WeakPolarHBondContact O-CB 3.29Å; Q646-K650 WeakPolarHBondContact O-CG 3.28Å; Q646-K650 PolarHBondContact O-N 2.7Å
647	H	64.7	Low	58.1	Low	114 Å²	114	106.8 Å²	106.8	53%	0.528	57%	0.565	S	S	.	*	H	α-helix	trans	-62	-44.2	176.8	-167.2	98.1	0	0	0	110.7	S643 L644 H645 I649 K650 Q651	S643-H647 PolarHBondContact O-N 3.07Å; L644-H647 WeakPolarHBondContact O-CB 3.26Å; L644-H647 PolarHBondContact O-N 3.46Å; H645-H647 VanDerWaalsContact C-N 3.31Å; H645-H647 PolarHBondContact O-N 3.21Å; H647-I649 PolarHBondContact O-N 3.26Å; H647-K650 PolarHBondContact O-N 2.84Å; H647-Q651 PolarHBondContact NE2-NE2 2.99Å; H647-Q651 WeakPolarHBondContact O-CG 3.26Å; H647-Q651 PolarHBondContact O-N 2.89Å
648	C	57.8	Low	60.2	Low	59 Å²	59	103.6 Å²	103.6	40%	0.399	55%	0.548	S	S	.	.	H	α-helix	trans	-60.3	-45.5	176.7	-163.9	0	0	0	0	112.4	L644 H645 Q646 K650 Q651 L652	L644-C648 PolarHBondContact O-N 2.96Å; H645-C648 PolarHBondContact O-N 2.79Å; Q646-C648 VanDerWaalsContact C-N 3.33Å; C648-K650 PolarHBondContact O-N 3.3Å; C648-Q651 PolarHBondContact O-N 3.49Å; C648-L652 PolarHBondContact O-N 3.44Å
649	I	74.1	Confident	62.1	Low	68 Å²	68	102.6 Å²	102.6	35%	0.349	53%	0.533	S	S	.	.	H	α-helix	trans	-56.7	-50.7	173	-65	161.8	0	0	0	110.8	L558 H645 Q646 H647 Q651 L652 V653	L558-I649 HydrophobicContact CD1-CD1 3.74Å; L558-I649 HydrophobicContact CD1-CG1 4.11Å; L558-I649 HydrophobicContact CD2-CD1 4.14Å; L558-I649 HydrophobicContact CD2-CG1 3.51Å; L558-I649 HydrophobicContact CG-CD1 4.37Å; L558-I649 HydrophobicContact CG-CG1 4.26Å; H645-I649 PolarHBondContact O-N 2.85Å; H645-I649 VanDerWaalsContact O-N 3.13Å; Q646-I649 PolarHBondContact O-N 3.44Å; H647-I649 PolarHBondContact O-N 3.26Å; I649-Q651 VanDerWaalsContact C-N 3.27Å; I649-Q651 PolarHBondContact O-N 2.96Å; I649-L652 PolarHBondContact O-N 3.38Å; I649-L652 VanDerWaalsContact O-N 3.12Å; I649-V653 HydrophobicContact CG2-CG2 4.03Å; I649-V653 WeakPolarHBondContact O-CG2 3.28Å; I649-V653 PolarHBondContact O-N 2.83Å
650	K	72	Confident	64.3	Low	131 Å²	131	105.7 Å²	105.7	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-61	-36.7	-175.8	-76.9	165.1	173.3	163.6	0	111.7	Q646 H647 C648 R654	Q646-K650 WeakPolarHBondContact O-CB 3.29Å; Q646-K650 WeakPolarHBondContact O-CG 3.28Å; Q646-K650 PolarHBondContact O-N 2.7Å; H647-K650 PolarHBondContact O-N 2.84Å; C648-K650 PolarHBondContact O-N 3.3Å; K650-R654 VanDerWaalsContact O-CB 3.29Å; K650-R654 WeakPolarHBondContact O-CB 3.42Å; K650-R654 PolarHBondContact O-N 3.13Å
651	Q	69.6	Low	66.3	Low	92 Å²	92	101.7 Å²	101.7	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-68.5	-44.4	172.7	-65.1	-68.8	0.2	0	0	112.6	H647 C648 I649 R654 Q655	H647-Q651 PolarHBondContact NE2-NE2 2.99Å; H647-Q651 WeakPolarHBondContact O-CG 3.26Å; H647-Q651 PolarHBondContact O-N 2.89Å; C648-Q651 PolarHBondContact O-N 3.49Å; I649-Q651 VanDerWaalsContact C-N 3.27Å; I649-Q651 PolarHBondContact O-N 2.96Å; Q651-R654 PolarHBondContact O-N 3.17Å; Q651-Q655 WeakPolarHBondContact O-CG 3.17Å; Q651-Q655 PolarHBondContact O-N 3.43Å
652	L	72.7	Confident	68.1	Low	52 Å²	52	103.2 Å²	103.2	27%	0.272	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-43	177.2	-93.6	162.4	0	0	0	112.7	C648 I649 N656	C648-L652 PolarHBondContact O-N 3.44Å; I649-L652 PolarHBondContact O-N 3.38Å; I649-L652 VanDerWaalsContact O-N 3.12Å; L652-N656 PolarHBondContact O-N 3.18Å; L652-N656 VanDerWaalsContact O-N 3.1Å; L652-N656 PolarHBondContact O-ND2 2.93Å
653	V	74.8	Confident	69.5	Low	95 Å²	95	102.1 Å²	102.1	58%	0.576	49%	0.491	S	S	*	.	H	α-helix	trans	-64.5	-41.8	174.7	173	0	0	0	0	110.5	I649 N656 W657	I649-V653 HydrophobicContact CG2-CG2 4.03Å; I649-V653 WeakPolarHBondContact O-CG2 3.28Å; I649-V653 PolarHBondContact O-N 2.83Å; V653-N656 PolarHBondContact O-N 3.22Å; V653-W657 PolarHBondContact O-N 2.82Å
654	R	71.8	Confident	70.5	Confident	144 Å²	144	103.5 Å²	103.5	54%	0.543	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-49.3	177.5	-172	68.2	-169.6	-147.4	2.7	112	K650 Q651 N656 W657 D658	K650-R654 VanDerWaalsContact O-CB 3.29Å; K650-R654 WeakPolarHBondContact O-CB 3.42Å; K650-R654 PolarHBondContact O-N 3.13Å; Q651-R654 PolarHBondContact O-N 3.17Å; R654-N656 VanDerWaalsContact C-N 3.3Å; R654-N656 PolarHBondContact O-N 2.76Å; R654-W657 PolarHBondContact O-N 2.99Å; R654-W657 VanDerWaalsContact O-N 3.09Å; R654-D658 IonicContact NE-OD1 2.96Å; R654-D658 IonicContact NE-OD2 2.79Å; R654-D658 PolarHBondContact O-N 2.88Å
655	Q	69.3	Low	71.5	Confident	117 Å²	117	103 Å²	103	55%	0.547	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-36.1	178.4	-70.6	-173.9	15.3	0	0	112.6	Q651 L659	Q651-Q655 WeakPolarHBondContact O-CG 3.17Å; Q651-Q655 PolarHBondContact O-N 3.43Å; Q655-L659 VanDerWaalsContact O-CB 3.28Å; Q655-L659 WeakPolarHBondContact O-CB 3.15Å; Q655-L659 WeakPolarHBondContact O-CG 3.24Å; Q655-L659 PolarHBondContact O-N 3.26Å
656	N	74.9	Confident	72.1	Confident	87 Å²	87	102 Å²	102	47%	0.465	48%	0.482	S	S	.	.	H	α-helix	trans	-66.1	-36.3	173.4	-86.5	-81.8	0	0	0	112.9	L652 V653 R654 R660	L652-N656 PolarHBondContact O-N 3.18Å; L652-N656 VanDerWaalsContact O-N 3.1Å; L652-N656 PolarHBondContact O-ND2 2.93Å; V653-N656 PolarHBondContact O-N 3.22Å; R654-N656 VanDerWaalsContact C-N 3.3Å; R654-N656 PolarHBondContact O-N 2.76Å; N656-R660 WeakPolarHBondContact O-CB 3.32Å; N656-R660 WeakPolarHBondContact O-CG 3.19Å; N656-R660 PolarHBondContact O-N 3.07Å
657	W	73.2	Confident	72.9	Confident	150 Å²	150	100.2 Å²	100.2	57%	0.568	48%	0.481	S	S	*	.	H	α-helix	trans	-71.3	-42	175.9	-172.8	87.3	0	0	0	112.3	V653 R654 R660 T661	V653-W657 PolarHBondContact O-N 2.82Å; R654-W657 PolarHBondContact O-N 2.99Å; R654-W657 VanDerWaalsContact O-N 3.09Å; W657-R660 PolarHBondContact O-N 3.32Å; W657-T661 WeakPolarHBondContact O-CB 3.42Å; W657-T661 PolarHBondContact O-N 3.05Å; W657-T661 PolarHBondContact O-OG1 2.65Å
658	D	72	Confident	73.5	Confident	68 Å²	68	97.7 Å²	97.7	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-63.8	-40.7	174.7	-64.3	-32.7	0	0	0	110.7	R654 T661 W662	R654-D658 IonicContact NE-OD1 2.96Å; R654-D658 IonicContact NE-OD2 2.79Å; R654-D658 PolarHBondContact O-N 2.88Å; D658-T661 PolarHBondContact O-N 3.4Å; D658-W662 WeakPolarHBondContact O-CB 3.21Å; D658-W662 PolarHBondContact O-N 2.79Å
659	L	73.2	Confident	74.4	Confident	97 Å²	97	102.3 Å²	102.3	51%	0.508	48%	0.48	S	S	.	.	H	α-helix	trans	-62.3	-45.1	173.6	-85	164.8	0	0	0	113	Q655 T661 W662 L663	Q655-L659 VanDerWaalsContact O-CB 3.28Å; Q655-L659 WeakPolarHBondContact O-CB 3.15Å; Q655-L659 WeakPolarHBondContact O-CG 3.24Å; Q655-L659 PolarHBondContact O-N 3.26Å; L659-T661 VanDerWaalsContact C-N 3.34Å; L659-W662 PolarHBondContact O-N 3.39Å; L659-L663 WeakPolarHBondContact O-CB 3.46Å; L659-L663 WeakPolarHBondContact O-CG 3.44Å; L659-L663 PolarHBondContact O-N 3.44Å
660	R	77.4	Confident	74.5	Confident	178 Å²	178	104.3 Å²	104.3	67%	0.672	49%	0.491	S	S	*	.	H	α-helix	trans	-61.6	-43.2	175.2	-77.8	172.3	174.6	-113.1	2.8	111.5	N656 W657 W662 L663 N664	N656-R660 WeakPolarHBondContact O-CB 3.32Å; N656-R660 WeakPolarHBondContact O-CG 3.19Å; N656-R660 PolarHBondContact O-N 3.07Å; W657-R660 PolarHBondContact O-N 3.32Å; R660-W662 PolarHBondContact O-N 3.28Å; R660-L663 PolarHBondContact O-N 3.26Å; R660-N664 VanDerWaalsContact O-CG 3.27Å; R660-N664 PolarHBondContact O-N 2.98Å; R660-N664 PolarHBondContact O-OD1 3.32Å
661	T	78.1	Confident	74.6	Confident	46 Å²	46	103.6 Å²	103.6	28%	0.282	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-43.5	176.7	-56.9	0	0	0	0	111.5	W657 D658 L659 N664 Q665	W657-T661 WeakPolarHBondContact O-CB 3.42Å; W657-T661 PolarHBondContact O-N 3.05Å; W657-T661 PolarHBondContact O-OG1 2.65Å; D658-T661 PolarHBondContact O-N 3.4Å; L659-T661 VanDerWaalsContact C-N 3.34Å; T661-N664 PolarHBondContact O-N 2.76Å; T661-Q665 WeakPolarHBondContact O-CG 3.37Å; T661-Q665 PolarHBondContact O-N 2.93Å
662	W	79.6	Confident	75	Confident	136 Å²	136	106.1 Å²	106.1	52%	0.515	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-39.1	177.2	-175.6	85.1	0	0	0	113.2	D658 L659 R660 Q665 M666	D658-W662 WeakPolarHBondContact O-CB 3.21Å; D658-W662 PolarHBondContact O-N 2.79Å; L659-W662 PolarHBondContact O-N 3.39Å; R660-W662 PolarHBondContact O-N 3.28Å; W662-Q665 PolarHBondContact O-N 2.82Å; W662-M666 HydrophobicContact CD2-CG 4.2Å; W662-M666 HydrophobicContact CE3-CG 4.3Å; W662-M666 HydrophobicContact CH2-CE 3.98Å; W662-M666 HydrophobicContact CH2-CG 3.89Å; W662-M666 HydrophobicContact CZ2-CE 3.48Å; W662-M666 VanDerWaalsContact CZ2-CE 3.48Å; W662-M666 HydrophobicContact CZ2-CG 3.77Å; W662-M666 HydrophobicContact CZ3-CG 4.15Å; W662-M666 WeakPolarHBondContact O-CB 3.37Å; W662-M666 PolarHBondContact O-N 2.92Å
663	L	76.3	Confident	74.9	Confident	100 Å²	100	108.2 Å²	108.2	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-63.6	-43.8	174.5	-76.2	169.4	0	0	0	111.5	L659 R660 Q665 M666 S667	L659-L663 WeakPolarHBondContact O-CB 3.46Å; L659-L663 WeakPolarHBondContact O-CG 3.44Å; L659-L663 PolarHBondContact O-N 3.44Å; R660-L663 PolarHBondContact O-N 3.26Å; L663-Q665 PolarHBondContact O-N 3.17Å; L663-M666 PolarHBondContact O-N 3.31Å; L663-S667 PolarHBondContact O-N 2.88Å
664	N	76.5	Confident	74.6	Confident	116 Å²	116	110 Å²	110	62%	0.62	51%	0.509	S	S	*	.	H	α-helix	trans	-61.8	-43.5	175.5	-69.2	1.3	0	0	0	111.5	R660 T661 M666 S667 D668	R660-N664 VanDerWaalsContact O-CG 3.27Å; R660-N664 PolarHBondContact O-N 2.98Å; R660-N664 PolarHBondContact O-OD1 3.32Å; T661-N664 PolarHBondContact O-N 2.76Å; N664-M666 VanDerWaalsContact C-N 3.34Å; N664-M666 PolarHBondContact O-N 3.18Å; N664-S667 WeakPolarHBondContact O-CB 3.38Å; N664-S667 PolarHBondContact O-N 2.97Å; N664-D668 PolarHBondContact O-N 3.4Å
665	Q	75.1	Confident	74.4	Confident	115 Å²	115	107.6 Å²	107.6	54%	0.537	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-35.4	174	-74.3	-179.7	1.8	0	0	113	T661 W662 L663 R669	T661-Q665 WeakPolarHBondContact O-CG 3.37Å; T661-Q665 PolarHBondContact O-N 2.93Å; W662-Q665 PolarHBondContact O-N 2.82Å; L663-Q665 PolarHBondContact O-N 3.17Å; Q665-R669 VanDerWaalsContact O-CB 3.31Å; Q665-R669 WeakPolarHBondContact O-CB 3.49Å; Q665-R669 VanDerWaalsContact O-CG 3.22Å; Q665-R669 WeakPolarHBondContact O-CG 3.2Å; Q665-R669 PolarHBondContact O-N 2.97Å
666	M	70.3	Confident	74.1	Confident	70 Å²	70	107.7 Å²	107.7	35%	0.345	51%	0.509	S	S	.	.	H	α-helix	trans	-72.1	-32.8	173.9	-86	-63.5	-153.3	0	0	112.5	W662 L663 N664 R669 L670	W662-M666 HydrophobicContact CD2-CG 4.2Å; W662-M666 HydrophobicContact CE3-CG 4.3Å; W662-M666 HydrophobicContact CH2-CE 3.98Å; W662-M666 HydrophobicContact CH2-CG 3.89Å; W662-M666 HydrophobicContact CZ2-CE 3.48Å; W662-M666 VanDerWaalsContact CZ2-CE 3.48Å; W662-M666 HydrophobicContact CZ2-CG 3.77Å; W662-M666 HydrophobicContact CZ3-CG 4.15Å; W662-M666 WeakPolarHBondContact O-CB 3.37Å; W662-M666 PolarHBondContact O-N 2.92Å; L663-M666 PolarHBondContact O-N 3.31Å; N664-M666 VanDerWaalsContact C-N 3.34Å; N664-M666 PolarHBondContact O-N 3.18Å; M666-R669 PolarHBondContact O-N 3.46Å; M666-L670 WeakPolarHBondContact O-CB 3.38Å; M666-L670 WeakPolarHBondContact O-CG 3.5Å; M666-L670 PolarHBondContact O-N 3.02Å
667	S	77.9	Confident	73.3	Confident	70 Å²	70	107.2 Å²	107.2	49%	0.49	51%	0.51	S	S	.	.	H	α-helix	trans	-64.9	-53.7	173.5	-159.5	0	0	0	0	110.6	L663 N664 R669 L670 E671	L663-S667 PolarHBondContact O-N 2.88Å; N664-S667 WeakPolarHBondContact O-CB 3.38Å; N664-S667 PolarHBondContact O-N 2.97Å; S667-R669 PolarHBondContact O-N 3.33Å; S667-L670 PolarHBondContact O-N 3.1Å; S667-E671 WeakPolarHBondContact O-CB 3.46Å; S667-E671 PolarHBondContact O-N 3.07Å
668	D	78	Confident	72.3	Confident	61 Å²	61	102.4 Å²	102.4	33%	0.326	50%	0.499	S	S	.	.	H	α-helix	trans	-56	-37.9	174.8	172.3	46.3	0	0	0	111.9	N664 R672	N664-D668 PolarHBondContact O-N 3.4Å; D668-R672 VanDerWaalsContact CG-NE 3.32Å; D668-R672 VanDerWaalsContact CG-NH2 3.28Å; D668-R672 VanDerWaalsContact O-CB 3.32Å; D668-R672 WeakPolarHBondContact O-CB 3.42Å; D668-R672 WeakPolarHBondContact O-CG 3.21Å; D668-R672 PolarHBondContact O-N 3.03Å; D668-R672 IonicContact OD1-CZ 3.03Å; D668-R672 VanDerWaalsContact OD1-CZ 3.27Å; D668-R672 IonicContact OD1-NE 2.7Å; D668-R672 PolarHBondContact OD1-NE 3.37Å; D668-R672 IonicContact OD1-NH2 3.13Å; D668-R672 PolarHBondContact OD1-NH2 3.49Å; D668-R672 IonicContact OD2-CZ 2.69Å; D668-R672 IonicContact OD2-NE 3.18Å; D668-R672 PolarHBondContact OD2-NE 2.98Å; D668-R672 IonicContact OD2-NH2 2.84Å; D668-R672 PolarHBondContact OD2-NH2 2.77Å
669	R	75.5	Confident	71.1	Confident	155 Å²	155	104.2 Å²	104.2	59%	0.585	51%	0.509	S	S	*	.	H	α-helix	trans	-73.6	-29	174.6	-75.5	-171.9	69.4	-159.4	-1.5	114.6	Q665 M666 S667 L673	Q665-R669 VanDerWaalsContact O-CB 3.31Å; Q665-R669 WeakPolarHBondContact O-CB 3.49Å; Q665-R669 VanDerWaalsContact O-CG 3.22Å; Q665-R669 WeakPolarHBondContact O-CG 3.2Å; Q665-R669 PolarHBondContact O-N 2.97Å; M666-R669 PolarHBondContact O-N 3.46Å; S667-R669 PolarHBondContact O-N 3.33Å; R669-L673 WeakPolarHBondContact O-CB 3.33Å; R669-L673 WeakPolarHBondContact O-CD1 3.42Å; R669-L673 WeakPolarHBondContact O-CG 3.4Å; R669-L673 PolarHBondContact O-N 3.22Å; R669-L673 VanDerWaalsContact O-N 3.17Å
670	L	75.9	Confident	69.7	Low	111 Å²	111	108.1 Å²	108.1	58%	0.581	52%	0.522	S	S	*	.	H	α-helix	trans	-74.2	-46.6	172.9	-80.7	167.8	0	0	0	110.3	M666 S667 R672 L673 E674	M666-L670 WeakPolarHBondContact O-CB 3.38Å; M666-L670 WeakPolarHBondContact O-CG 3.5Å; M666-L670 PolarHBondContact O-N 3.02Å; S667-L670 PolarHBondContact O-N 3.1Å; L670-R672 PolarHBondContact O-N 3.45Å; L670-L673 CarbonylContact O-C 3.55Å; L670-L673 WeakPolarHBondContact O-CA 3.24Å; L670-L673 WeakPolarHBondContact O-CB 3.49Å; L670-L673 PolarHBondContact O-N 2.79Å; L670-E674 WeakPolarHBondContact O-CB 3.28Å; L670-E674 PolarHBondContact O-N 2.96Å
671	E	75.7	Confident	68	Low	115 Å²	115	105.8 Å²	105.8	54%	0.537	52%	0.521	S	S	.	.	H	α-helix	trans	-58.5	-45.1	176	-172.8	172.4	-173.5	0	0	111.5	S667 L673 E674 L675	S667-E671 WeakPolarHBondContact O-CB 3.46Å; S667-E671 PolarHBondContact O-N 3.07Å; E671-L673 VanDerWaalsContact C-N 3.34Å; E671-L673 PolarHBondContact O-N 3.24Å; E671-E674 PolarHBondContact O-N 3.34Å; E671-L675 WeakPolarHBondContact O-CB 3.41Å; E671-L675 VanDerWaalsContact O-CG 3.28Å; E671-L675 WeakPolarHBondContact O-CG 3.49Å; E671-L675 PolarHBondContact O-N 2.75Å
672	R	76.7	Confident	66	Low	146 Å²	146	110.4 Å²	110.4	55%	0.551	54%	0.54	S	S	*	.	H	α-helix	trans	-64.4	-33	171.2	-71.9	177.8	-154.1	-138.9	11.3	113.8	D668 L670 L676	D668-R672 VanDerWaalsContact CG-NE 3.32Å; D668-R672 VanDerWaalsContact CG-NH2 3.28Å; D668-R672 VanDerWaalsContact O-CB 3.32Å; D668-R672 WeakPolarHBondContact O-CB 3.42Å; D668-R672 WeakPolarHBondContact O-CG 3.21Å; D668-R672 PolarHBondContact O-N 3.03Å; D668-R672 IonicContact OD1-CZ 3.03Å; D668-R672 VanDerWaalsContact OD1-CZ 3.27Å; D668-R672 IonicContact OD1-NE 2.7Å; D668-R672 PolarHBondContact OD1-NE 3.37Å; D668-R672 IonicContact OD1-NH2 3.13Å; D668-R672 PolarHBondContact OD1-NH2 3.49Å; D668-R672 IonicContact OD2-CZ 2.69Å; D668-R672 IonicContact OD2-NE 3.18Å; D668-R672 PolarHBondContact OD2-NE 2.98Å; D668-R672 IonicContact OD2-NH2 2.84Å; D668-R672 PolarHBondContact OD2-NH2 2.77Å; L670-R672 PolarHBondContact O-N 3.45Å; R672-L676 VanDerWaalsContact O-CB 3.24Å; R672-L676 WeakPolarHBondContact O-CB 3.39Å; R672-L676 WeakPolarHBondContact O-CD1 3.48Å; R672-L676 WeakPolarHBondContact O-CG 3.47Å; R672-L676 PolarHBondContact O-N 3.47Å
673	L	70.1	Confident	63.8	Low	95 Å²	95	111.9 Å²	111.9	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-73.5	-36.7	175.6	-81.3	170.1	0	0	0	111.5	R669 L670 E671 L676 T677	R669-L673 WeakPolarHBondContact O-CB 3.33Å; R669-L673 WeakPolarHBondContact O-CD1 3.42Å; R669-L673 WeakPolarHBondContact O-CG 3.4Å; R669-L673 PolarHBondContact O-N 3.22Å; R669-L673 VanDerWaalsContact O-N 3.17Å; L670-L673 CarbonylContact O-C 3.55Å; L670-L673 WeakPolarHBondContact O-CA 3.24Å; L670-L673 WeakPolarHBondContact O-CB 3.49Å; L670-L673 PolarHBondContact O-N 2.79Å; E671-L673 VanDerWaalsContact C-N 3.34Å; E671-L673 PolarHBondContact O-N 3.24Å; L673-L676 CarbonylContact O-C 3.58Å; L673-L676 PolarHBondContact O-N 2.89Å; L673-T677 PolarHBondContact O-N 3.08Å; L673-T677 PolarHBondContact O-OG1 2.89Å
674	E	70	Confident	61.7	Low	133 Å²	133	113.7 Å²	113.7	62%	0.621	56%	0.562	S	S	*	*	H	α-helix	trans	-64.9	-49.7	176	-168.4	155.5	-154.1	0	0	109.9	L670 E671 L676 T677 S678	L670-E674 WeakPolarHBondContact O-CB 3.28Å; L670-E674 PolarHBondContact O-N 2.96Å; E671-E674 PolarHBondContact O-N 3.34Å; E674-L676 VanDerWaalsContact C-N 3.34Å; E674-L676 PolarHBondContact O-N 2.87Å; E674-T677 WeakPolarHBondContact CA-OG1 3.34Å; E674-T677 CarbonylContact O-C 3.58Å; E674-T677 WeakPolarHBondContact O-CA 3.32Å; E674-T677 PolarHBondContact O-N 3.17Å; E674-T677 PolarHBondContact O-OG1 3.26Å; E674-S678 PolarHBondContact O-N 2.82Å; E674-S678 PolarHBondContact O-OG 2.84Å
675	L	67.2	Low	59.7	Low	94 Å²	94	115.3 Å²	115.3	49%	0.492	57%	0.571	S	S	.	*	H	α-helix	trans	-55.6	-43.9	168.6	-69.7	168.3	0	0	0	112.3	E671 T677 S678 N679	E671-L675 WeakPolarHBondContact O-CB 3.41Å; E671-L675 VanDerWaalsContact O-CG 3.28Å; E671-L675 WeakPolarHBondContact O-CG 3.49Å; E671-L675 PolarHBondContact O-N 2.75Å; L675-T677 PolarHBondContact O-N 2.9Å; L675-S678 PolarHBondContact O-N 2.86Å; L675-N679 WeakPolarHBondContact O-CB 3.45Å; L675-N679 PolarHBondContact O-N 2.91Å; L675-N679 PolarHBondContact O-OD1 3.26Å
676	L	62.3	Low	57.6	Low	118 Å²	118	113.3 Å²	113.3	62%	0.618	56%	0.564	S	S	*	*	H	α-helix	trans	-70.5	-10.7	175.8	-76.3	169.7	0	0	0	114.3	R672 L673 E674	R672-L676 VanDerWaalsContact O-CB 3.24Å; R672-L676 WeakPolarHBondContact O-CB 3.39Å; R672-L676 WeakPolarHBondContact O-CD1 3.48Å; R672-L676 WeakPolarHBondContact O-CG 3.47Å; R672-L676 PolarHBondContact O-N 3.47Å; L673-L676 CarbonylContact O-C 3.58Å; L673-L676 PolarHBondContact O-N 2.89Å; E674-L676 VanDerWaalsContact C-N 3.34Å; E674-L676 PolarHBondContact O-N 2.87Å
677	T	57.8	Low	55.8	Low	78 Å²	78	113.1 Å²	113.1	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-95.3	-42.5	169	48	0	0	0	0	112.6	L673 E674 L675 K680 I681	L673-T677 PolarHBondContact O-N 3.08Å; L673-T677 PolarHBondContact O-OG1 2.89Å; E674-T677 WeakPolarHBondContact CA-OG1 3.34Å; E674-T677 CarbonylContact O-C 3.58Å; E674-T677 WeakPolarHBondContact O-CA 3.32Å; E674-T677 PolarHBondContact O-N 3.17Å; E674-T677 PolarHBondContact O-OG1 3.26Å; L675-T677 PolarHBondContact O-N 2.9Å; T677-K680 CarbonylContact O-C 3.59Å; T677-K680 WeakPolarHBondContact O-CA 3.19Å; T677-K680 WeakPolarHBondContact O-CB 3.26Å; T677-K680 PolarHBondContact O-N 3.27Å; T677-K680 VanDerWaalsContact O-N 3.08Å; T677-I681 WeakPolarHBondContact O-CD1 3.36Å; T677-I681 WeakPolarHBondContact O-CG1 3.39Å; T677-I681 PolarHBondContact O-N 3.07Å
678	S	53.2	Low	53.6	Low	48 Å²	48	116.7 Å²	116.7	34%	0.336	58%	0.58	S	S	.	*	H	α-helix	trans	-60.9	-50.8	175.3	-57.3	0	0	0	0	111	E674 L675 K680 I681 E682	E674-S678 PolarHBondContact O-N 2.82Å; E674-S678 PolarHBondContact O-OG 2.84Å; L675-S678 PolarHBondContact O-N 2.86Å; S678-K680 PolarHBondContact O-N 2.82Å; S678-I681 PolarHBondContact O-N 2.96Å; S678-E682 PolarHBondContact O-N 2.6Å; S678-E682 VanDerWaalsContact O-N 3.17Å
679	N	46.8	Very low	51.4	Low	107 Å²	107	120.9 Å²	120.9	57%	0.572	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	6.1	176	-55.5	23.5	0	0	0	113.2	L675	L675-N679 WeakPolarHBondContact O-CB 3.45Å; L675-N679 PolarHBondContact O-N 2.91Å; L675-N679 PolarHBondContact O-OD1 3.26Å
680	K	44	Very low	49.2	Very low	178 Å²	178	122 Å²	122	77%	0.774	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	-2.9	171.8	-118.5	-178.2	179.2	-177.8	0	113.9	T677 S678	T677-K680 CarbonylContact O-C 3.59Å; T677-K680 WeakPolarHBondContact O-CA 3.19Å; T677-K680 WeakPolarHBondContact O-CB 3.26Å; T677-K680 PolarHBondContact O-N 3.27Å; T677-K680 VanDerWaalsContact O-N 3.08Å; S678-K680 PolarHBondContact O-N 2.82Å
681	I	41.8	Very low	47	Very low	130 Å²	130	122.1 Å²	122.1	67%	0.667	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-27.7	178.7	-69	166.8	0	0	0	110.3	T677 S678 H683	T677-I681 WeakPolarHBondContact O-CD1 3.36Å; T677-I681 WeakPolarHBondContact O-CG1 3.39Å; T677-I681 PolarHBondContact O-N 3.07Å; S678-I681 PolarHBondContact O-N 2.96Å; I681-H683 PolarHBondContact O-N 3.35Å
682	E	34.4	Very low	44.7	Very low	142 Å²	142	123 Å²	123	66%	0.664	64%	0.637	S	S	*	*	S	Bend	trans	-71	12	178	-67.8	173.1	168.7	0	0	115.5	S678	S678-E682 PolarHBondContact O-N 2.6Å; S678-E682 VanDerWaalsContact O-N 3.17Å
683	H	35.3	Very low	42.4	Very low	167 Å²	167	123.1 Å²	123.1	77%	0.773	65%	0.648	S	S	*	*	S	Bend	trans	-130.6	54.5	176.2	-81.8	-1.4	0	0	0	112.1	I681	I681-H683 PolarHBondContact O-N 3.35Å
684	N	32.1	Very low	40.6	Very low	138 Å²	138	125.3 Å²	125.3	74%	0.738	67%	0.666	S	S	*	*	S	Bend	trans	-174.8	153.9	140.4	-100.2	-52.1	0	0	0	112.2
685	N	32.7	Very low	38.9	Very low	151 Å²	151	126.4 Å²	126.4	81%	0.807	68%	0.675	S	S	*	*			trans	75.3	100.2	175.7	-38.2	-67.6	0	0	0	115.7
686	N	31	Very low	37.3	Very low	73 Å²	73	129.4 Å²	129.4	39%	0.39	69%	0.692	S	S	.	*				-129.8	150.7	129.1	-118.9	-5.6	0	0	0	108.8	D841	N686-D841 PolarHBondContact ND2-OD2 2.9Å
687	P	34	Very low	36.1	Very low	65 Å²	65	127.9 Å²	127.9	42%	0.422	69%	0.689	S	S	.	*			trans	-111.5	169	-161.5	41.6	-37.5	0	0	0	115.8	D840	P687-D840 WeakPolarHBondContact CD-O 3.29Å; P687-D840 VanDerWaalsContact CG-O 3.29Å; P687-D840 WeakPolarHBondContact CG-O 3.21Å; P687-D840 PolarHBondContact O-N 3.02Å; P687-D840 VanDerWaalsContact O-N 3.12Å
688	I	31.6	Very low	34.8	Very low	146 Å²	146	130.8 Å²	130.8	75%	0.749	70%	0.702	S	S	*	*			trans	-134.7	137.9	157.7	-64.3	-177.8	0	0	0	109.4
689	I	30.8	Very low	34	Very low	148 Å²	148	135.2 Å²	135.2	76%	0.759	72%	0.722	S	S	*	*			trans	-114.2	128.6	173.3	-57.8	170.9	0	0	0	108.5
690	Q	29.7	Very low	33.2	Very low	178 Å²	178	137 Å²	137	83%	0.832	73%	0.731	S	S	*	*			trans	178.5	173.5	131.4	-101.7	-179.2	50	0	0	114.8
691	S	29.3	Very low	32.8	Very low	115 Å²	115	134 Å²	134	80%	0.804	73%	0.728	S	S	*	*			trans	60	95.5	165.9	52.8	0	0	0	0	119.3
692	T	28	Very low	32.2	Very low	134 Å²	134	134.8 Å²	134.8	82%	0.822	73%	0.733	S	S	*	*			trans	-64.7	127.2	156.7	49.1	0	0	0	0	112.3
693	N	28.6	Very low	32.3	Very low	147 Å²	147	135.6 Å²	135.6	79%	0.786	74%	0.74	S	S	*	*			trans	-172.7	118.4	138.3	-106	-28.2	0	0	0	112.6
694	T	31.5	Very low	32.2	Very low	142 Å²	142	132 Å²	132	87%	0.871	73%	0.734	S	S	*	*			trans	-142	87.6	169.4	40.8	0	0	0	0	110.5
695	N	35.6	Very low	32.4	Very low	155 Å²	155	134.5 Å²	134.5	83%	0.829	74%	0.744	S	S	*	*			trans	-99	88.9	174.3	-94.1	-22.4	0	0	0	111.5
696	N	33.2	Very low	32.5	Very low	157 Å²	157	133.2 Å²	133.2	84%	0.84	74%	0.737	S	S	*	*			trans	63	-179.7	148.5	-117.2	-0.5	0	0	0	116.7
697	P	36.7	Very low	32.7	Very low	87 Å²	87	137.2 Å²	137.2	57%	0.565	75%	0.753	S	S	*	*			trans	-135	-162.7	-130.8	39.8	-17.1	0	0	0	115.3
698	N	30.8	Very low	32.4	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	77%	0.766	S	S	*	*			trans	87.6	157.3	163.1	-56.4	-26.1	0	0	0	118
699	N	35.7	Very low	32.5	Very low	140 Å²	140	141.3 Å²	141.3	75%	0.749	77%	0.771	S	S	*	*			trans	74.2	112.8	-179.5	-55.4	-36.4	0	0	0	114.6
700	N	30.2	Very low	32.2	Very low	145 Å²	145	141.1 Å²	141.1	78%	0.775	77%	0.771	S	S	*	*			cis	90	157.2	46.5	-71.5	-32.7	0	0	0	113.2
701	V	36	Very low	32.2	Very low	115 Å²	115	141.6 Å²	141.6	70%	0.697	77%	0.771	S	S	*	*			trans	88.6	87.4	165.9	-168	0	0	0	0	117
702	N	29.9	Very low	32.1	Very low	147 Å²	147	141 Å²	141	79%	0.786	76%	0.763	S	S	*	*			trans	65	166.2	130.4	-52.4	-11.7	0	0	0	117.4
703	I	36.3	Very low	32.2	Very low	158 Å²	158	141.5 Å²	141.5	81%	0.81	77%	0.766	S	S	*	*			cis	-146.7	136.9	33	-73.1	172.3	0	0	0	112.3
704	S	31.7	Very low	32.4	Very low	92 Å²	92	138 Å²	138	64%	0.643	77%	0.765	S	S	*	*			trans	27	128.2	146.6	-163.5	0	0	0	0	121.8
705	M	38.1	Very low	32.3	Very low	191 Å²	191	138.4 Å²	138.4	94%	0.941	76%	0.761	S	S	*	*				-155.7	168.6	107.1	-105.9	-177.3	-169.6	0	0	113.3
706	N	33.4	Very low	32.2	Very low	123 Å²	123	136.5 Å²	136.5	66%	0.658	75%	0.751	S	S	*	*			trans	-95.5	153.1	-146.1	-99.8	-63.5	0	0	0	117.9
707	Q	35.1	Very low	32.3	Very low	157 Å²	157	136.1 Å²	136.1	73%	0.734	74%	0.742	S	S	*	*			trans	65.8	95.2	138.7	-68.9	165.2	49.8	0	0	122.2
708	S	29.1	Very low	32	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	75%	0.751	S	S	*	*				9.8	132.4	122.3	62.7	0	0	0	0	121.1
709	K	32.4	Very low	32.1	Very low	197 Å²	197	140.2 Å²	140.2	86%	0.857	75%	0.75	S	S	*	*				-171.7	173.6	100.5	-104.9	172.9	-177.9	174.4	0	113.7
710	L	25.5	Very low	32.1	Very low	145 Å²	145	138.9 Å²	138.9	76%	0.759	75%	0.751	S	S	*	*			trans	-73.7	-176.5	-178.7	-82.8	67.9	0	0	0	113.2
711	F	29.3	Very low	32.3	Very low	188 Å²	188	138.1 Å²	138.1	83%	0.825	75%	0.747	S	S	*	*			trans	97	129.9	167.4	-62.5	-72.4	0	0	0	114.7
712	T	27.9	Very low	32.1	Very low	103 Å²	103	141.1 Å²	141.1	63%	0.632	75%	0.746	S	S	*	*			cis	170.9	155.5	-15.5	16.1	0	0	0	0	104.8
713	T	29.1	Very low	32.1	Very low	144 Å²	144	144.4 Å²	144.4	88%	0.883	75%	0.747	S	S	*	*			trans	56.5	144.9	155.3	53.6	0	0	0	0	120.3
714	G	32.7	Very low	31.7	Very low	74 Å²	74	145 Å²	145	76%	0.763	75%	0.752	S	S	*	*			trans	149.9	105.3	159.4	0	0	0	0	0	115.6
715	N	30.6	Very low	31.8	Very low	149 Å²	149	148.5 Å²	148.5	80%	0.797	76%	0.762	S	S	*	*			trans	-67.9	173	-176	-57.7	-19.4	0	0	0	116.3
716	D	33	Very low	31.6	Very low	115 Å²	115	144 Å²	144	62%	0.615	75%	0.747	S	S	*	*			trans	89.6	113.8	142.1	-73.6	-46.4	0	0	0	122.5
717	K	34.3	Very low	31.4	Very low	149 Å²	149	145 Å²	145	65%	0.648	75%	0.753	S	S	*	*			trans	39.9	129.8	133.4	-43.2	179.4	-175.2	84.1	0	118.4
718	F	31.5	Very low	31.2	Very low	174 Å²	174	143 Å²	143	76%	0.763	76%	0.756	S	S	*	*				-172.1	164.2	53.4	-103.1	-68.2	0	0	0	112
719	I	32.6	Very low	31.3	Very low	139 Å²	139	142.8 Å²	142.8	71%	0.713	76%	0.76	S	S	*	*			trans	58.5	98.9	146.6	-70.9	163.2	0	0	0	116.8
720	S	35	Very low	31.2	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	75%	0.753	S	S	*	*				89.8	143.2	91.9	-64	0	0	0	0	113.8
721	D	34.3	Very low	31.4	Very low	130 Å²	130	140.9 Å²	140.9	70%	0.695	76%	0.759	S	S	*	*			cis	-155.3	164.2	-13.9	177.1	30.5	0	0	0	108.1
722	R	31.9	Very low	31.4	Very low	177 Å²	177	136.2 Å²	136.2	67%	0.668	75%	0.749	S	S	*	*			trans	83.9	103.2	163.6	-51.7	-158.4	168.4	-165.7	-3.3	121.2
723	R	31.1	Very low	31.6	Very low	216 Å²	216	137.2 Å²	137.2	82%	0.815	76%	0.755	S	S	*	*				82.9	84	126.2	-65.1	176.1	-170.7	-158.3	-1.1	118.2
724	L	28.1	Very low	31.6	Very low	172 Å²	172	138 Å²	138	90%	0.901	75%	0.749	S	S	*	*			trans	-72.8	145.4	160.9	-62	162.3	0	0	0	113.3
725	L	31.9	Very low	31.6	Very low	165 Å²	165	140.4 Å²	140.4	86%	0.864	75%	0.754	S	S	*	*			trans	-156.7	154.6	142.6	-81.5	-178.6	0	0	0	106.6
726	P	34.8	Very low	31.7	Very low	97 Å²	97	136.7 Å²	136.7	63%	0.63	75%	0.751	S	S	*	*			cis	-139.1	-167.3	-31.3	38.4	-19.7	0	0	0	113.3
727	N	29.7	Very low	31.5	Very low	144 Å²	144	138.7 Å²	138.7	77%	0.77	76%	0.762	S	S	*	*			trans	85.2	118.6	153.3	-63	-12.3	0	0	0	122.7
728	S	29.6	Very low	31.4	Very low	115 Å²	115	140.9 Å²	140.9	80%	0.804	77%	0.771	S	S	*	*			trans	58.2	116.9	135.5	63.3	0	0	0	0	123.1
729	A	32.6	Very low	31.3	Very low	95 Å²	95	137.5 Å²	137.5	79%	0.785	77%	0.769	S	S	*	*				-173	110.2	115.2	0	0	0	0	0	114.8
730	S	29.1	Very low	31.3	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	77%	0.771	S	S	*	*				37.1	148.8	127.5	-42.7	0	0	0	0	125.7
731	F	29.8	Very low	31.3	Very low	200 Å²	200	138 Å²	138	88%	0.877	77%	0.767	S	S	*	*			trans	70.8	149	165.1	-64.9	-89.9	0	0	0	118.3
732	S	29.8	Very low	31	Very low	89 Å²	89	138.3 Å²	138.3	62%	0.622	77%	0.769	S	S	*	*			cis	-174.2	-173.6	-23.6	59.3	0	0	0	0	111.4
733	V	31.5	Very low	31.1	Very low	125 Å²	125	137.2 Å²	137.2	76%	0.758	77%	0.771	S	S	*	*			trans	74.5	142.1	156.3	156.2	0	0	0	0	117
734	Q	29.6	Very low	31	Very low	160 Å²	160	133.7 Å²	133.7	75%	0.748	77%	0.769	S	S	*	*			cis	-170.5	162.5	-18.9	-174.8	167.6	7.4	0	0	110.5
735	S	33.6	Very low	31.3	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	76%	0.764	S	S	*	*			trans	70.4	155.8	171.4	80.8	0	0	0	0	117
736	G	32.5	Very low	31.3	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	76%	0.759	S	S	*	*			cis	-177.6	133.7	-7.8	0	0	0	0	0	112.3
737	N	28.5	Very low	31	Very low	158 Å²	158	133.1 Å²	133.1	85%	0.845	77%	0.766	S	S	*	*			trans	-95.8	140.9	-176.5	-64.3	-24.4	0	0	0	112.6
738	K	32.9	Very low	31	Very low	195 Å²	195	131.8 Å²	131.8	85%	0.848	77%	0.768	S	S	*	*				165.1	146.8	121	-90.8	162.4	-177.8	-179.1	0	116.3
739	S	28.3	Very low	31.1	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	78%	0.776	S	S	*	*			trans	78.3	161.2	144.2	73.4	0	0	0	0	121.6
740	I	33.3	Very low	30.8	Very low	145 Å²	145	135.3 Å²	135.3	74%	0.744	77%	0.771	S	S	*	*			trans	70.2	91.2	164.9	-68.8	168.1	0	0	0	114.1
741	T	34.2	Very low	30.8	Very low	116 Å²	116	139.9 Å²	139.9	71%	0.712	78%	0.778	S	S	*	*				83.8	116.4	69	59.6	0	0	0	0	115.5
742	D	27.7	Very low	30.9	Very low	136 Å²	136	135.1 Å²	135.1	73%	0.727	77%	0.77	S	S	*	*			trans	71.6	138.7	136.9	-76.1	28.3	0	0	0	124.3
743	Q	34.4	Very low	30.9	Very low	154 Å²	154	134.1 Å²	134.1	72%	0.72	77%	0.774	S	S	*	*			trans	74.9	112	150.5	-70.1	172.8	54.9	0	0	121.1
744	N	29	Very low	30.8	Very low	141 Å²	141	140.4 Å²	140.4	75%	0.754	78%	0.784	S	S	*	*				47.3	120.3	124.6	-53.8	-22.5	0	0	0	120.2
745	V	34.2	Very low	30.7	Very low	132 Å²	132	137.3 Å²	137.3	80%	0.8	77%	0.772	S	S	*	*				-173.4	135.3	124.3	134	0	0	0	0	111.7
746	L	32.1	Very low	30.4	Very low	144 Å²	144	137.3 Å²	137.3	75%	0.754	76%	0.763	S	S	*	*			trans	43.1	119.6	161.8	-60	170	0	0	0	119.7
747	N	28.2	Very low	30.2	Very low	147 Å²	147	139 Å²	139	79%	0.786	76%	0.763	S	S	*	*				57.6	97	72.2	-73.8	-17.5	0	0	0	115.9
748	S	31.4	Very low	30.2	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	75%	0.754	S	S	*	*				178.8	103.8	122.2	58.1	0	0	0	0	113.3
749	L	31.3	Very low	29.9	Very low	186 Å²	186	134.7 Å²	134.7	97%	0.974	75%	0.753	S	S	*	*			trans	179.5	124.6	139.4	-100.7	163.4	0	0	0	109.2
750	S	26.6	Very low	30.3	Very low	99 Å²	99	134.2 Å²	134.2	69%	0.692	75%	0.747	S	S	*	*			trans	-120.7	153.2	-167.7	51.1	0	0	0	0	112.4
751	F	29.1	Very low	30.1	Very low	197 Å²	197	134.1 Å²	134.1	86%	0.864	75%	0.748	S	S	*	*			trans	172	82.4	145.4	-109.4	-81.7	0	0	0	107.5
752	S	30.1	Very low	30	Very low	101 Å²	101	135.5 Å²	135.5	71%	0.706	75%	0.752	S	S	*	*				75.6	117.3	71.8	78	0	0	0	0	116.1
753	G	30.1	Very low	30.1	Very low	67 Å²	67	137.3 Å²	137.3	69%	0.691	76%	0.756	S	S	*	*			trans	107.6	136.5	155.4	0	0	0	0	0	116.1
754	W	29.6	Very low	30.1	Very low	258 Å²	258	135.2 Å²	135.2	98%	0.977	75%	0.753	S	S	*	*			cis	-147.5	168.5	-5.3	-88.6	-34	0	0	0	111.4
755	N	27.7	Very low	30.2	Very low	94 Å²	94	134.6 Å²	134.6	50%	0.503	75%	0.75	S	S	.	*			trans	-93.3	172.7	175.1	-79.6	-77.4	0	0	0	112.5	N920	N755-N920 PolarHBondContact OD1-ND2 2.92Å
756	N	28.3	Very low	30	Very low	125 Å²	125	139.7 Å²	139.7	67%	0.668	76%	0.757	S	S	*	*			trans	94.9	117.3	150.1	-60.3	-23.7	0	0	0	120.8	N920	N756-N920 PolarHBondContact OD1-ND2 2.8Å
757	S	27.5	Very low	30	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	76%	0.761	S	S	*	*				71.2	107.7	125.8	-161.5	0	0	0	0	121.9
758	V	28.5	Very low	30.2	Very low	107 Å²	107	140.5 Å²	140.5	65%	0.648	76%	0.759	S	S	*	*				37.7	106.8	129.6	-170.4	0	0	0	0	118.7
759	N	27.4	Very low	30.2	Very low	156 Å²	156	143.8 Å²	143.8	83%	0.834	77%	0.766	S	S	*	*				-159.2	150.9	117.7	-130.9	1.8	0	0	0	110.6
760	P	36.4	Very low	30.2	Very low	93 Å²	93	139.9 Å²	139.9	60%	0.604	76%	0.755	S	S	*	*			trans	-93.1	178.4	172	37	-31.3	0	0	0	112.5
761	N	29.3	Very low	30.3	Very low	143 Å²	143	143.4 Å²	143.4	77%	0.765	77%	0.766	S	S	*	*			trans	95.1	138.4	171.3	-50.7	-28	0	0	0	116.8
762	N	31.5	Very low	30.6	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	76%	0.762	S	S	*	*			trans	63	107.8	171.9	-55.2	-4.3	0	0	0	116
763	E	29.5	Very low	30.8	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	75%	0.751	S	S	*	*				64.1	118	73.1	-69.5	-154	151.6	0	0	112.4
764	T	35.1	Very low	31.3	Very low	109 Å²	109	141.3 Å²	141.3	67%	0.669	76%	0.755	S	S	*	*			cis	-160	166.6	34	46.6	0	0	0	0	114.8
765	N	31.1	Very low	31.6	Very low	128 Å²	128	135.5 Å²	135.5	68%	0.684	74%	0.737	S	S	*	*			trans	56.6	92.8	145.6	-74.2	-50.4	0	0	0	121.4
766	Y	30.3	Very low	32	Very low	240 Å²	240	142.1 Å²	142.1	94%	0.941	76%	0.755	S	S	*	*				-131.9	141.6	123.3	-98.8	-88.5	0	0	0	109.4
767	K	31.1	Very low	32.7	Very low	194 Å²	194	141.8 Å²	141.8	84%	0.843	75%	0.751	S	S	*	*			trans	-85.4	128.9	-168.3	-68.8	-178.6	178.2	178.9	0	113.4
768	P	32	Very low	33.1	Very low	113 Å²	113	142.5 Å²	142.5	73%	0.734	75%	0.753	S	S	*	*			trans	-82	147.6	158.2	33.5	-32.2	0	0	0	111.3	S770	P768-S770 PolarHBondContact O-N 3.36Å; P768-S770 VanDerWaalsContact O-N 3.14Å
769	L	32.4	Very low	33.5	Very low	184 Å²	184	148.1 Å²	148.1	96%	0.963	76%	0.762	S	S	*	*			trans	-78.2	91.6	174.4	-82.4	137.1	0	0	0	111.1	N771	L769-N771 PolarHBondContact O-N 3.45Å
770	S	30.1	Very low	34	Very low	105 Å²	105	145.5 Å²	145.5	73%	0.734	76%	0.756	S	S	*	*			trans	-86.4	96	178.8	58.9	0	0	0	0	112.6	P768	P768-S770 PolarHBondContact O-N 3.36Å; P768-S770 VanDerWaalsContact O-N 3.14Å
771	N	29.3	Very low	33.9	Very low	173 Å²	173	148.3 Å²	148.3	93%	0.925	76%	0.764	S	S	*	*			trans	-162.3	59.6	155.6	-112.9	-12.5	0	0	0	113.2	L769	L769-N771 PolarHBondContact O-N 3.45Å
772	S	35.7	Very low	33.9	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	76%	0.762	S	S	*	*			trans	-128	118.6	166.7	56.3	0	0	0	0	109.9
773	N	34.7	Very low	34	Very low	89 Å²	89	142.9 Å²	142.9	48%	0.476	75%	0.753	S	S	.	*			trans	-76.8	121.9	-166.8	-156.4	-20.7	0	0	0	110.6	F775	N773-F775 PolarHBondContact O-N 3.44Å
774	P	39.9	Very low	34	Very low	119 Å²	119	142.5 Å²	142.5	77%	0.773	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	1.1	-175.1	27.7	-36.1	0	0	0	114.5
775	F	36.7	Very low	33.9	Very low	136 Å²	136	144.2 Å²	144.2	60%	0.596	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	9.8	-177.5	-71.5	-77.4	0	0	0	115.2	N773 M777	N773-F775 PolarHBondContact O-N 3.44Å; F775-M777 VanDerWaalsContact C-N 3.29Å; F775-M777 PolarHBondContact O-N 3.31Å
776	R	36	Very low	34	Very low	234 Å²	234	141.5 Å²	141.5	88%	0.883	77%	0.769	S	S	*	*			trans	-78.2	71.4	177.9	-159.6	180	-164.7	-176.4	5.5	112.8
777	M	42.2	Very low	34.1	Very low	117 Å²	117	136.4 Å²	136.4	58%	0.576	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-59	135	166.3	-78.2	-176.6	68.7	0	0	110.5	F175 F775 R779	F175-M777 WeakPolarHBondContact O-CE 3.34Å; F775-M777 VanDerWaalsContact C-N 3.29Å; F775-M777 PolarHBondContact O-N 3.31Å; M777-R779 PolarHBondContact O-N 2.97Å
778	P	34.9	Very low	34.3	Very low	120 Å²	120	134.8 Å²	134.8	78%	0.779	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-60	124.6	168.3	-21.9	33.3	0	0	0	109.9	S780	P778-S780 PolarHBondContact O-N 2.94Å
779	R	38.9	Very low	34.3	Very low	225 Å²	225	137 Å²	137	85%	0.849	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-60.1	135.6	168.7	-74.6	-177.9	172.5	137.2	-0.9	108.4	M777 I781	M777-R779 PolarHBondContact O-N 2.97Å; R779-I781 PolarHBondContact O-N 2.86Å
780	S	37.6	Very low	34.6	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	76%	0.76	S	S	*	*			trans	-62.9	104	-178.6	53.8	0	0	0	0	110.6	P778 S782	P778-S780 PolarHBondContact O-N 2.94Å; S780-S782 PolarHBondContact O-N 2.99Å
781	I	33.8	Very low	34.8	Very low	152 Å²	152	139.5 Å²	139.5	78%	0.779	77%	0.765	S	S	*	*			trans	-58.5	126.2	170.8	-60.6	175.1	0	0	0	107.7	R779	R779-I781 PolarHBondContact O-N 2.86Å
782	S	29.3	Very low	34.8	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	76%	0.76	S	S	*	*			trans	-146.6	51.7	177.7	-70.1	0	0	0	0	109.2	S780	S780-S782 PolarHBondContact O-N 2.99Å
783	A	32.6	Very low	34.7	Very low	71 Å²	71	140.1 Å²	140.1	59%	0.587	76%	0.758	S	S	*	*	S	Bend	trans	-153.9	143.7	173.4	0	0	0	0	0	109.7
784	L	30.4	Very low	34.5	Very low	168 Å²	168	143.8 Å²	143.8	88%	0.88	78%	0.776	S	S	*	*			trans	54.4	81	153.1	-61.3	166.2	0	0	0	118.7
785	T	33.4	Very low	33.9	Very low	144 Å²	144	149 Å²	149	88%	0.883	78%	0.78	S	S	*	*			trans	-137.9	110.1	136.6	51.1	0	0	0	0	108.9
786	G	33.8	Very low	33.4	Very low	72 Å²	72	146.9 Å²	146.9	74%	0.742	78%	0.782	S	S	*	*			trans	-77.6	152.5	167.1	0	0	0	0	0	110.9	I788	G786-I788 PolarHBondContact O-N 3.4Å
787	T	32.2	Very low	32.9	Very low	133 Å²	133	143.6 Å²	143.6	82%	0.816	78%	0.777	S	S	*	*			trans	-39.1	119.5	175.9	48.1	0	0	0	0	116
788	I	34.9	Very low	32.4	Very low	160 Å²	160	148 Å²	148	82%	0.821	79%	0.793	S	S	*	*				-134.6	113.2	120.5	-67.5	96.3	0	0	0	106.6	G786	G786-I788 PolarHBondContact O-N 3.4Å
789	D	32.2	Very low	31.9	Very low	159 Å²	159	148.9 Å²	148.9	85%	0.85	79%	0.791	S	S	*	*			trans	-109.9	105.6	161.5	-95.3	-44.2	0	0	0	106.4
790	E	38	Very low	31.5	Very low	170 Å²	170	144 Å²	144	79%	0.794	79%	0.787	S	S	*	*			trans	-172	164.9	150.3	-114.1	172.1	-149.2	0	0	112.1
791	M	33.8	Very low	31.3	Very low	171 Å²	171	144.3 Å²	144.3	84%	0.842	79%	0.786	S	S	*	*			trans	63.7	54.9	171.6	-55.9	-167	-172.6	0	0	118.3
792	N	30	Very low	31.1	Very low	152 Å²	152	148.4 Å²	148.4	81%	0.813	79%	0.794	S	S	*	*				-15.8	128	123.5	-159.5	18.4	0	0	0	115.1
793	I	32.8	Very low	31	Very low	147 Å²	147	148.4 Å²	148.4	75%	0.754	79%	0.794	S	S	*	*			trans	161.2	141.5	143	-86.3	159.6	0	0	0	113.8
794	I	31	Very low	30.8	Very low	165 Å²	165	149.8 Å²	149.8	85%	0.846	80%	0.795	S	S	*	*			trans	71.5	153.2	169.4	-77	160.8	0	0	0	118.4
795	R	28	Very low	30.9	Very low	230 Å²	230	152.1 Å²	152.1	87%	0.868	79%	0.793	S	S	*	*			trans	-124.2	178.6	-166.8	-96.4	-176.9	172.5	172.1	-4	111.3
796	S	26.6	Very low	30.6	Very low	91 Å²	91	153.1 Å²	153.1	64%	0.636	79%	0.793	S	S	*	*			trans	85	126.1	148	62.4	0	0	0	0	119.3
797	E	25.5	Very low	30.5	Very low	165 Å²	165	155.4 Å²	155.4	77%	0.771	79%	0.792	S	S	*	*			trans	50.9	120.2	134.2	-67.3	141.8	-121.7	0	0	119.2
798	F	30.5	Very low	30.5	Very low	210 Å²	210	156.3 Å²	156.3	92%	0.921	79%	0.792	S	S	*	*				-145.4	164.7	86.4	-112	-83	0	0	0	111.2
799	N	25.7	Very low	30.4	Very low	137 Å²	137	158 Å²	158	73%	0.733	79%	0.793	S	S	*	*			trans	-129.8	177.1	-166.2	-156.9	-5	0	0	0	110.9
800	T	28.9	Very low	30.5	Very low	124 Å²	124	155.4 Å²	155.4	76%	0.761	79%	0.785	S	S	*	*			trans	74.6	152.6	164.8	54.3	0	0	0	0	119.7
801	P	34.3	Very low	30.1	Very low	107 Å²	107	151.4 Å²	151.4	70%	0.695	78%	0.776	S	S	*	*			trans	-128.3	-172.7	-157.7	43.3	-26.4	0	0	0	114
802	Y	29.9	Very low	30.1	Very low	238 Å²	238	150.9 Å²	150.9	93%	0.933	78%	0.775	S	S	*	*			trans	-127.7	151.2	156	-93.1	-86.4	0	0	0	112.5
803	S	25.9	Very low	30.2	Very low	103 Å²	103	148.6 Å²	148.6	72%	0.72	77%	0.768	S	S	*	*			trans	-115.6	-165.6	-178.9	-173.3	0	0	0	0	109.7
804	T	29.6	Very low	30	Very low	100 Å²	100	146.4 Å²	146.4	61%	0.613	77%	0.766	S	S	*	*			trans	77.5	144.5	177.4	79.2	0	0	0	0	114.7
805	Y	31.4	Very low	29.8	Very low	216 Å²	216	143.2 Å²	143.2	85%	0.847	76%	0.758	S	S	*	*			cis	-129.2	165	5.3	-83.8	-77.3	0	0	0	113.8
806	L	28.3	Very low	29.9	Very low	166 Å²	166	139.6 Å²	139.6	87%	0.869	76%	0.756	S	S	*	*			trans	-106	123.9	171	-107.5	163.7	0	0	0	110.4
807	T	31.9	Very low	29.9	Very low	119 Å²	119	141.3 Å²	141.3	73%	0.73	76%	0.758	S	S	*	*			trans	177.7	150.2	156.1	42	0	0	0	0	108.2
808	N	31	Very low	30.2	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	76%	0.755	S	S	*	*			cis	-159	159.7	-19.6	-105.6	-18.5	0	0	0	109.4
809	K	32.3	Very low	30	Very low	196 Å²	196	137.1 Å²	137.1	85%	0.852	75%	0.745	S	S	*	*			trans	-56.9	177.9	168.3	-95	-179.6	178.1	-177.8	0	114.6
810	P	34.8	Very low	29.9	Very low	104 Å²	104	134.3 Å²	134.3	68%	0.675	74%	0.736	S	S	*	*			cis	-142.6	-166.8	-13.7	28.1	-2.4	0	0	0	115.9
811	S	29.2	Very low	30	Very low	87 Å²	87	136.9 Å²	136.9	61%	0.608	74%	0.736	S	S	*	*			trans	69.5	114	136.6	51.8	0	0	0	0	120.6
812	I	34.1	Very low	29.6	Very low	160 Å²	160	138.2 Å²	138.2	82%	0.821	74%	0.736	S	S	*	*				92.9	143.8	80.9	-86.1	164.9	0	0	0	112.5
813	P	33.3	Very low	29.6	Very low	103 Å²	103	133.9 Å²	133.9	67%	0.669	73%	0.728	S	S	*	*			cis	-136.1	-171.3	-14.9	35.9	-14.4	0	0	0	115.6
814	S	27	Very low	29.5	Very low	101 Å²	101	135.9 Å²	135.9	71%	0.706	73%	0.731	S	S	*	*			trans	20.3	141.7	143.2	68.7	0	0	0	0	120.5
815	S	28.2	Very low	29.4	Very low	98 Å²	98	134.5 Å²	134.5	69%	0.685	73%	0.725	S	S	*	*				-179.6	178.1	53.8	53.6	0	0	0	0	111.7
816	L	30.4	Very low	29.2	Very low	154 Å²	154	130.2 Å²	130.2	81%	0.806	72%	0.717	S	S	*	*			trans	65.9	106.7	170.2	-57.5	169.3	0	0	0	113.8
817	N	25.8	Very low	29.1	Very low	128 Å²	128	128.7 Å²	128.7	68%	0.684	71%	0.71	S	S	*	*				72.8	143.1	51.9	-163.8	41	0	0	0	113
818	E	31	Very low	28.9	Very low	154 Å²	154	127.9 Å²	127.9	72%	0.72	71%	0.709	S	S	*	*			trans	65	146.6	175	-75.2	169.6	-119	0	0	116.5
819	N	26.4	Very low	28.7	Very low	132 Å²	132	128.6 Å²	128.6	71%	0.706	71%	0.707	S	S	*	*			cis	-166.2	174.1	-29.1	-140.6	-34.4	0	0	0	107.5
820	C	25.2	Very low	28.5	Very low	79 Å²	79	126 Å²	126	53%	0.534	70%	0.701	S	S	.	*			trans	58.3	131.3	144.2	-82	0	0	0	0	122.1
821	K	29	Very low	28.2	Very low	178 Å²	178	126.6 Å²	126.6	77%	0.774	70%	0.703	S	S	*	*			trans	74.4	156.5	131.2	-65.3	172.9	-171.8	169.6	0	117.1
822	I	26.5	Very low	28.2	Very low	135 Å²	135	126.8 Å²	126.8	69%	0.692	70%	0.704	S	S	*	*			cis	-164.9	173.5	-18.7	-110.5	169.7	0	0	0	105.9
823	L	30	Very low	28.1	Very low	146 Å²	146	127 Å²	127	76%	0.764	70%	0.7	S	S	*	*			trans	65.5	111.3	173.8	-72.3	153	0	0	0	113.8
824	N	25.1	Very low	27.9	Very low	145 Å²	145	128.8 Å²	128.8	78%	0.775	70%	0.699	S	S	*	*			cis	67.6	134.7	33.3	-158.8	24.6	0	0	0	115.4
825	S	27	Very low	28.1	Very low	71 Å²	71	129.4 Å²	129.4	50%	0.497	70%	0.698	S	S	.	*			trans	82.9	143.1	149.9	75.6	0	0	0	0	120.6
826	N	26.2	Very low	28.3	Very low	127 Å²	127	129.6 Å²	129.6	68%	0.679	70%	0.696	S	S	*	*			trans	91.8	93.4	144.9	-61.3	-20.8	0	0	0	122
827	N	26.6	Very low	28.3	Very low	133 Å²	133	128.6 Å²	128.6	71%	0.711	69%	0.691	S	S	*	*				89.6	153	109.5	-67.8	-12.3	0	0	0	121.4
828	S	27.8	Very low	28.6	Very low	103 Å²	103	127.3 Å²	127.3	72%	0.72	68%	0.684	S	S	*	*			trans	76	137.9	148.7	74	0	0	0	0	117.2
829	H	27.4	Very low	28.7	Very low	167 Å²	167	125 Å²	125	77%	0.773	67%	0.673	S	S	*	*			cis	-169.3	172.2	-16.7	-125.3	-69.1	0	0	0	107.8
830	I	27.9	Very low	29.1	Very low	142 Å²	142	123.5 Å²	123.5	73%	0.728	67%	0.665	S	S	*	*			trans	67.7	128.5	146.3	-71.7	162.6	0	0	0	116.3
831	T	28.8	Very low	29.4	Very low	116 Å²	116	124.8 Å²	124.8	71%	0.712	67%	0.667	S	S	*	*			cis	-154.9	167.6	-3.7	13.2	0	0	0	0	111.3
832	S	27.5	Very low	29.6	Very low	91 Å²	91	119.4 Å²	119.4	64%	0.636	66%	0.662	S	S	*	*			trans	-28	155.9	156.1	48.1	0	0	0	0	116.5
833	K	33.5	Very low	29.8	Very low	165 Å²	165	122.3 Å²	122.3	72%	0.717	67%	0.669	S	S	*	*				-156.4	137.9	65.5	-88.9	-175	171.1	-94.5	0	111.7
834	E	28	Very low	29.9	Very low	139 Å²	139	122.4 Å²	122.4	65%	0.65	67%	0.67	S	S	*	*				57.8	134.7	99.5	-66.2	179.7	111.2	0	0	113.3
835	T	32	Very low	30.1	Very low	114 Å²	114	123 Å²	123	70%	0.699	67%	0.668	S	S	*	*			cis	-160.6	165.5	12.2	29.9	0	0	0	0	106.9
836	T	33	Very low	30.2	Very low	103 Å²	103	127.5 Å²	127.5	63%	0.632	69%	0.686	S	S	*	*			cis	-169.2	146.9	1.1	21.1	0	0	0	0	109.4
837	N	29.6	Very low	30.3	Very low	132 Å²	132	124.9 Å²	124.9	71%	0.706	68%	0.681	S	S	*	*			trans	64.5	151.6	135.4	-59.4	14.8	0	0	0	121.5
838	L	32.5	Very low	30.4	Very low	101 Å²	101	126.5 Å²	126.5	53%	0.529	69%	0.69	S	S	.	*			cis	-161.6	154.3	-30.4	-125.5	66.2	0	0	0	104.3
839	E	31.8	Very low	30.5	Very low	106 Å²	106	133.9 Å²	133.9	50%	0.495	70%	0.702	S	S	.	*				54.6	138.8	80.7	-39.4	175.7	160.3	0	0	112.5
840	D	34.9	Very low	30.6	Very low	101 Å²	101	134.3 Å²	134.3	54%	0.54	70%	0.702	S	S	.	*				-150.5	146.8	52.1	-73.3	-49	0	0	0	115.8	P687	P687-D840 WeakPolarHBondContact CD-O 3.29Å; P687-D840 VanDerWaalsContact CG-O 3.29Å; P687-D840 WeakPolarHBondContact CG-O 3.21Å; P687-D840 PolarHBondContact O-N 3.02Å; P687-D840 VanDerWaalsContact O-N 3.12Å
841	D	32.1	Very low	30.5	Very low	106 Å²	106	134.9 Å²	134.9	57%	0.567	70%	0.702	S	S	*	*			trans	-36.6	156.8	169.7	-62	-107.2	0	0	0	117.3	N686	N686-D841 PolarHBondContact ND2-OD2 2.9Å
842	G	33.2	Very low	30.5	Very low	65 Å²	65	135.3 Å²	135.3	67%	0.67	70%	0.703	S	S	*	*				136	-179.8	82.8	0	0	0	0	0	110.6
843	F	30.1	Very low	30.6	Very low	195 Å²	195	135.5 Å²	135.5	86%	0.855	71%	0.705	S	S	*	*			cis	-141.9	157.6	16.5	-114.4	-99.4	0	0	0	112.5
844	L	31.9	Very low	30.3	Very low	148 Å²	148	136.1 Å²	136.1	78%	0.775	71%	0.71	S	S	*	*			trans	-90	-172.2	165.5	-86.6	161.8	0	0	0	111.2
845	Q	30.4	Very low	30.6	Very low	159 Å²	159	137.6 Å²	137.6	74%	0.743	72%	0.722	S	S	*	*			trans	68.1	150.2	-175.8	-79	72.1	11.2	0	0	113.1
846	L	29.3	Very low	30.4	Very low	165 Å²	165	140 Å²	140	86%	0.864	73%	0.725	S	S	*	*			cis	-117.9	147.4	15.5	-64.3	156.7	0	0	0	110.2
847	A	28.3	Very low	30.2	Very low	71 Å²	71	141.5 Å²	141.5	59%	0.587	73%	0.729	S	S	*	*			cis	71.2	94.4	40.3	0	0	0	0	0	114.3
848	N	27.6	Very low	30.2	Very low	167 Å²	167	144.4 Å²	144.4	89%	0.893	74%	0.736	S	S	*	*			trans	38.6	96.8	157.5	-64.3	-24	0	0	0	118.8
849	R	30.4	Very low	30.2	Very low	259 Å²	259	149.8 Å²	149.8	98%	0.977	76%	0.755	S	S	*	*			trans	-146.9	159.3	143.8	-120.1	167.1	-176.2	155.1	2.2	112.5
850	K	30	Very low	30.1	Very low	176 Å²	176	154.4 Å²	154.4	77%	0.765	77%	0.773	S	S	*	*			trans	-84	175.4	-175.6	-60.6	-179.6	179.1	176.7	0	111.9
851	E	26.4	Very low	29.9	Very low	154 Å²	154	155.8 Å²	155.8	72%	0.72	79%	0.786	S	S	*	*			trans	85.8	137.6	140.6	-86.8	149.9	-132.2	0	0	120.6
852	V	29	Very low	29.8	Very low	124 Å²	124	157.9 Å²	157.9	75%	0.752	80%	0.796	S	S	*	*			trans	69.1	103	149.9	179.7	0	0	0	0	119
853	S	28.1	Very low	29.6	Very low	95 Å²	95	163.4 Å²	163.4	66%	0.664	80%	0.802	S	S	*	*				48.7	142.4	123.4	-47.9	0	0	0	0	123
854	E	28.6	Very low	29.8	Very low	178 Å²	178	161.7 Å²	161.7	83%	0.832	80%	0.796	S	S	*	*			trans	58.5	110.7	147.3	-67.4	173.8	123.3	0	0	119.3
855	L	33.3	Very low	29.6	Very low	170 Å²	170	159.1 Å²	159.1	89%	0.89	79%	0.79	S	S	*	*				-160.4	138.2	98.3	-102.8	169.4	0	0	0	112.2
856	Q	27.4	Very low	29.5	Very low	165 Å²	165	164 Å²	164	77%	0.771	80%	0.802	S	S	*	*			trans	-88.3	169.7	165.6	-75.6	-170.6	-27.9	0	0	111
857	D	29.2	Very low	29.4	Very low	135 Å²	135	160.8 Å²	160.8	72%	0.722	79%	0.794	S	S	*	*			trans	53	95.9	156	-71.4	-7.9	0	0	0	118.6
858	K	30.8	Very low	29.6	Very low	193 Å²	193	166.5 Å²	166.5	84%	0.839	81%	0.81	S	S	*	*				-166.6	112.3	125.1	-89.8	128.8	-159	167.7	0	111.3
859	F	32	Very low	29.8	Very low	214 Å²	214	168.3 Å²	168.3	94%	0.939	81%	0.81	S	S	*	*			trans	174.4	85.8	132.4	-100	-65.4	0	0	0	109.5
860	K	29.2	Very low	29.8	Very low	202 Å²	202	159.7 Å²	159.7	88%	0.878	80%	0.803	S	S	*	*			trans	-149.5	44.7	-178.1	-157.7	-174.4	178.8	177.5	0	113.3
861	T	30	Very low	29.9	Very low	130 Å²	130	154.7 Å²	154.7	80%	0.798	80%	0.8	S	S	*	*			trans	-149.1	94.7	-179.8	31.3	0	0	0	0	112.3
862	L	31.5	Very low	30	Very low	151 Å²	151	154.6 Å²	154.6	79%	0.791	81%	0.805	S	S	*	*			trans	-178.5	112.1	151.2	-96	151.1	0	0	0	102.8
863	K	28.9	Very low	30.1	Very low	180 Å²	180	156 Å²	156	78%	0.783	81%	0.808	S	S	*	*				49.8	126.4	60	-59.3	-174.6	177.8	179.8	0	109.7
864	H	33.5	Very low	30.4	Very low	160 Å²	160	159.8 Å²	159.8	74%	0.741	82%	0.82	S	S	*	*			cis	-126.5	151.8	31.7	-69.1	-105	0	0	0	114.8
865	S	27.1	Very low	30.4	Very low	93 Å²	93	156 Å²	156	65%	0.65	81%	0.813	S	S	*	*				12.3	136.6	129.8	-163.1	0	0	0	0	118.6
866	W	29.2	Very low	30.3	Very low	262 Å²	262	154.4 Å²	154.4	99%	0.992	80%	0.804	S	S	*	*				-145.8	138.4	108	-100.5	21.1	0	0	0	108.9
867	S	27.2	Very low	30.5	Very low	98 Å²	98	154 Å²	154	69%	0.685	80%	0.802	S	S	*	*			trans	-150.2	109.7	179	158.4	0	0	0	0	107.3
868	M	32.9	Very low	30.6	Very low	190 Å²	190	152.9 Å²	152.9	94%	0.936	80%	0.796	S	S	*	*			trans	-132	161.9	171.4	-93.4	-64.1	113.5	0	0	111.4
869	K	30.4	Very low	30.7	Very low	205 Å²	205	150.8 Å²	150.8	89%	0.891	79%	0.79	S	S	*	*			trans	-141	130.9	-147.4	-174.1	-178.4	-178.7	-175	0	109.6
870	G	30.6	Very low	30.7	Very low	79 Å²	79	146.8 Å²	146.8	81%	0.814	78%	0.777	S	S	*	*			trans	157	146.6	179.9	0	0	0	0	0	109.3
871	G	32.9	Very low	30.8	Very low	70 Å²	70	146.2 Å²	146.2	72%	0.722	78%	0.775	S	S	*	*			cis	148.2	100	2.3	0	0	0	0	0	108.5
872	N	28.3	Very low	30.9	Very low	153 Å²	153	143.7 Å²	143.7	82%	0.818	77%	0.774	S	S	*	*			trans	-69	154.3	-174.6	-59.3	-1.6	0	0	0	111.1
873	N	31.4	Very low	30.8	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	77%	0.774	S	S	*	*			trans	106.8	91.9	169.2	-54.7	-14.9	0	0	0	114.7
874	L	32.9	Very low	30.9	Very low	175 Å²	175	140.5 Å²	140.5	92%	0.916	78%	0.776	S	S	*	*				-156.7	143.7	110.1	-134.3	64.6	0	0	0	114
875	S	29.2	Very low	30.8	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	78%	0.775	S	S	*	*			trans	-48.7	158.6	172.9	-114.8	0	0	0	0	117.4
876	I	32.4	Very low	31.1	Very low	137 Å²	137	140.1 Å²	140.1	70%	0.703	78%	0.78	S	S	*	*			trans	89.5	117.6	138.9	-75.5	164.9	0	0	0	119.9
877	Q	30.7	Very low	31.4	Very low	156 Å²	156	133 Å²	133	73%	0.729	77%	0.767	S	S	*	*			trans	73.7	129.8	148.8	-80.1	176.4	-83.6	0	0	123.5
878	D	31.6	Very low	31.4	Very low	111 Å²	111	139.9 Å²	139.9	59%	0.594	78%	0.778	S	S	*	*			trans	65.8	133.5	140	-60.1	-34.5	0	0	0	120.3
879	Q	33.4	Very low	31.2	Very low	150 Å²	150	135.8 Å²	135.8	70%	0.701	77%	0.768	S	S	*	*			cis	-162.3	167.1	-16	-132.1	175.1	77.7	0	0	110.5
880	I	32.2	Very low	31.4	Very low	130 Å²	130	133.6 Å²	133.6	67%	0.667	76%	0.764	S	S	*	*			trans	70.5	110.3	154	-69.9	167.5	0	0	0	119.5
881	F	31.3	Very low	31.4	Very low	190 Å²	190	134.5 Å²	134.5	83%	0.833	76%	0.758	S	S	*	*			trans	53	115.1	143.5	-75.9	-101.2	0	0	0	122.4
882	G	31	Very low	31.3	Very low	77 Å²	77	135.5 Å²	135.5	79%	0.794	76%	0.759	S	S	*	*			trans	-164.8	46.8	168.2	0	0	0	0	0	113.8	T884	G882-T884 PolarHBondContact O-N 3.16Å
883	V	29.7	Very low	31.4	Very low	130 Å²	130	134.2 Å²	134.2	79%	0.788	76%	0.757	S	S	*	*			trans	-76.6	114.1	-169.4	-76	0	0	0	0	114.7
884	T	31.1	Very low	31.4	Very low	134 Å²	134	134.2 Å²	134.2	82%	0.822	76%	0.757	S	S	*	*			trans	-149.7	153.5	147.9	52.3	0	0	0	0	113.7	G882	G882-T884 PolarHBondContact O-N 3.16Å
885	S	31.5	Very low	31.2	Very low	103 Å²	103	131.2 Å²	131.2	72%	0.72	75%	0.751	S	S	*	*			trans	93.8	145	152.1	86.4	0	0	0	0	120.5
886	L	34.2	Very low	31.6	Very low	142 Å²	142	131.8 Å²	131.8	74%	0.743	75%	0.752	S	S	*	*			trans	77.5	150.8	166.9	-91.4	72.2	0	0	0	117.1
887	P	34.1	Very low	31.5	Very low	111 Å²	111	131.6 Å²	131.6	72%	0.721	75%	0.752	S	S	*	*				-138.3	175.3	-97.7	40.3	-22.8	0	0	0	117.2
888	R	28.7	Very low	31.5	Very low	243 Å²	243	132.5 Å²	132.5	92%	0.917	76%	0.756	S	S	*	*			trans	8	116.7	156.3	-79.6	-178.6	163.5	144.8	-2.7	117.5
889	S	28.6	Very low	31.6	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	76%	0.757	S	S	*	*				171.6	173.2	104.3	51.3	0	0	0	0	111.4
890	I	33.9	Very low	31.6	Very low	159 Å²	159	131.8 Å²	131.8	82%	0.815	76%	0.764	S	S	*	*			trans	71.6	151.6	172.9	-50	172.8	0	0	0	113.7
891	S	30.8	Very low	31.6	Very low	99 Å²	99	129.1 Å²	129.1	69%	0.692	76%	0.761	S	S	*	*				-168.6	135.3	-77.1	52.7	0	0	0	0	111.5
892	A	29.6	Very low	31.7	Very low	90 Å²	90	128.7 Å²	128.7	74%	0.744	76%	0.759	S	S	*	*			trans	68.7	169.1	157.1	0	0	0	0	0	119.4
893	V	30.6	Very low	31.8	Very low	127 Å²	127	131.8 Å²	131.8	77%	0.77	75%	0.753	S	S	*	*			trans	72.8	135.6	169.9	-52.1	0	0	0	0	120.4
894	N	32.8	Very low	31.6	Very low	152 Å²	152	132.6 Å²	132.6	81%	0.813	76%	0.758	S	S	*	*			trans	75.3	99.4	158.5	-55.9	-9.8	0	0	0	120.1
895	S	28.2	Very low	31.5	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	75%	0.75	S	S	*	*			trans	-59.6	167.3	137.4	-18.5	0	0	0	0	110.4
896	P	36.6	Very low	31.6	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	75%	0.751	S	S	*	*			cis	-149	-175.3	48.7	42.9	-22.3	0	0	0	117.5
897	L	31.4	Very low	31.5	Very low	134 Å²	134	130.5 Å²	130.5	70%	0.702	75%	0.752	S	S	*	*			trans	62.3	146.6	147.8	-106.5	58	0	0	0	121.8
898	E	31	Very low	31.2	Very low	174 Å²	174	130.1 Å²	130.1	81%	0.813	75%	0.752	S	S	*	*			trans	55.9	141.5	151.5	-71.3	152.1	-160.4	0	0	119.8
899	A	32.5	Very low	31.2	Very low	74 Å²	74	125.8 Å²	125.8	61%	0.612	75%	0.747	S	S	*	*			cis	-147.6	158.1	-16.3	0	0	0	0	0	106.8
900	M	33.9	Very low	31.5	Very low	173 Å²	173	128.9 Å²	128.9	85%	0.852	75%	0.75	S	S	*	*				179.1	139.4	85.1	-83.6	162.3	-79	0	0	106.7
901	A	32	Very low	31.3	Very low	74 Å²	74	128.3 Å²	128.3	61%	0.612	75%	0.747	S	S	*	*				38.7	130.7	101.8	0	0	0	0	0	115.2
902	F	34.3	Very low	31.3	Very low	181 Å²	181	130.6 Å²	130.6	79%	0.794	75%	0.749	S	S	*	*			cis	-123.6	130.2	20.2	-77.9	-100.2	0	0	0	111
903	E	31.4	Very low	31.3	Very low	141 Å²	141	132.1 Å²	132.1	66%	0.659	75%	0.745	S	S	*	*				71.3	120.1	81.2	-67	-162.2	128.7	0	0	115.7
904	T	26.7	Very low	31.5	Very low	147 Å²	147	133.8 Å²	133.8	90%	0.902	74%	0.744	S	S	*	*			trans	-130.5	92.3	156.3	-56.9	0	0	0	0	108.4
905	T	29.6	Very low	31.4	Very low	106 Å²	106	132.3 Å²	132.3	65%	0.65	74%	0.741	S	S	*	*			trans	-105.5	162.6	157.8	53	0	0	0	0	106.4
906	V	32.3	Very low	31.5	Very low	123 Å²	123	132.9 Å²	132.9	75%	0.745	74%	0.743	S	S	*	*			cis	-149.5	146.8	41.3	164.4	0	0	0	0	111.1
907	S	32	Very low	31.3	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	74%	0.737	S	S	*	*			trans	17.9	133.4	153.6	-50.4	0	0	0	0	122.5
908	S	28.1	Very low	31.6	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	74%	0.738	S	S	*	*			trans	-72.3	144.4	130.7	-42.1	0	0	0	0	108.1
909	N	29.5	Very low	31.8	Very low	152 Å²	152	128.5 Å²	128.5	81%	0.813	72%	0.722	S	S	*	*				-171.6	175.6	54	-115.1	-38.2	0	0	0	112.8
910	Q	33.5	Very low	32	Very low	169 Å²	169	129.1 Å²	129.1	79%	0.79	72%	0.715	S	S	*	*			trans	80.3	129.8	161.7	-72	179.7	8.6	0	0	121.3
911	L	31	Very low	32	Very low	146 Å²	146	125.4 Å²	125.4	76%	0.764	71%	0.705	S	S	*	*			trans	46.6	126.9	151.9	-86.4	59.3	0	0	0	118.4
912	M	29.4	Very low	32	Very low	147 Å²	147	128.7 Å²	128.7	72%	0.724	71%	0.706	S	S	*	*			cis	-171.5	158	47.2	-162.2	73.8	152.2	0	0	110.5
913	N	31.6	Very low	32	Very low	123 Å²	123	127 Å²	127	66%	0.658	70%	0.7	S	S	*	*			trans	63.9	110.2	160	-69.4	-26.3	0	0	0	122.2
914	Q	34.4	Very low	31.8	Very low	162 Å²	162	125.6 Å²	125.6	76%	0.757	70%	0.701	S	S	*	*				82.5	117.2	126.3	-62.2	-179.4	24.6	0	0	122.6
915	T	30.3	Very low	32.1	Very low	121 Å²	121	125.8 Å²	125.8	74%	0.742	70%	0.695	S	S	*	*			trans	71.9	111	141.6	54.4	0	0	0	0	122.5
916	C	29.7	Very low	32	Very low	123 Å²	123	127.7 Å²	127.7	83%	0.831	70%	0.701	S	S	*	*			trans	64.7	146.3	135.4	-67.2	0	0	0	0	122.1
917	S	33.8	Very low	32	Very low	85 Å²	85	126.9 Å²	126.9	59%	0.594	70%	0.701	S	S	*	*			cis	-174.7	156.1	-18.8	61.4	0	0	0	0	112.1
918	Q	37	Very low	31.8	Very low	152 Å²	152	128.4 Å²	128.4	71%	0.71	70%	0.701	S	S	*	*			trans	70.6	152.1	159.6	-59.9	-170.8	39.7	0	0	117.8
919	N	35.2	Very low	32	Very low	90 Å²	90	132.5 Å²	132.5	48%	0.481	71%	0.711	S	S	.	*			cis	-166.5	148	-18.7	-104.3	-13.8	0	0	0	111
920	N	36	Very low	31.9	Very low	87 Å²	87	132.8 Å²	132.8	47%	0.465	71%	0.713	S	S	.	*			trans	62.5	158.6	148.5	-63.7	-20.6	0	0	0	118.9	N755 N756	N755-N920 PolarHBondContact OD1-ND2 2.92Å; N756-N920 PolarHBondContact OD1-ND2 2.8Å
921	C	33.4	Very low	31.6	Very low	94 Å²	94	130.2 Å²	130.2	64%	0.635	71%	0.712	S	S	*	*			cis	-157.6	138.7	-1.2	-130.4	0	0	0	0	112.2
922	F	33.8	Very low	31.7	Very low	144 Å²	144	129.6 Å²	129.6	63%	0.632	71%	0.714	S	S	*	*			trans	52.6	148.7	132.4	-80.1	-121.3	0	0	0	122.5
923	Q	33	Very low	31.6	Very low	146 Å²	146	130.5 Å²	130.5	68%	0.682	72%	0.716	S	S	*	*			cis	-172.5	158.1	-20.2	-122.9	-161.6	9.7	0	0	110.8
924	T	28.2	Very low	31.4	Very low	110 Å²	110	131.3 Å²	131.3	68%	0.675	73%	0.726	S	S	*	*			trans	35.3	150.6	141.9	-2.1	0	0	0	0	120.9
925	I	31.5	Very low	31.1	Very low	151 Å²	151	130.6 Å²	130.6	77%	0.774	73%	0.726	S	S	*	*			cis	-141.9	146.2	24.5	-53.5	168.4	0	0	0	111.1
926	N	28.6	Very low	31.2	Very low	147 Å²	147	134.6 Å²	134.6	79%	0.786	74%	0.737	S	S	*	*			trans	-127	136.8	167.5	-168.2	5.3	0	0	0	108.9
927	S	31.5	Very low	31.1	Very low	106 Å²	106	134 Å²	134	74%	0.741	73%	0.734	S	S	*	*			trans	-149.9	78.6	-178.1	67.8	0	0	0	0	113.2
928	N	28.9	Very low	31.1	Very low	139 Å²	139	134.1 Å²	134.1	74%	0.743	74%	0.735	S	S	*	*			trans	-66	139.4	151.2	-83.6	-33.7	0	0	0	108.9
929	M	31.2	Very low	30.9	Very low	188 Å²	188	136.6 Å²	136.6	93%	0.926	74%	0.743	S	S	*	*			trans	-143.4	139.8	142.3	-88.5	-52	149.4	0	0	110.9
930	N	28.3	Very low	30.8	Very low	159 Å²	159	135.3 Å²	135.3	85%	0.85	75%	0.751	S	S	*	*			trans	-145.6	171	176.4	-125.4	-7.2	0	0	0	106.3
931	C	27.8	Very low	30.7	Very low	115 Å²	115	137.1 Å²	137.1	78%	0.777	77%	0.766	S	S	*	*			trans	72.8	105.7	172.4	-97.4	0	0	0	0	119.1
932	V	32.5	Very low	30.5	Very low	132 Å²	132	140.4 Å²	140.4	80%	0.8	77%	0.771	S	S	*	*				65	136	111.1	175.1	0	0	0	0	119.7
933	Q	26.3	Very low	30.5	Very low	166 Å²	166	140 Å²	140	78%	0.776	77%	0.771	S	S	*	*			trans	-69.9	156.7	178.1	-55.4	144.4	-61.8	0	0	112.9
934	T	28.8	Very low	30.5	Very low	140 Å²	140	140 Å²	140	86%	0.859	77%	0.771	S	S	*	*				-159.9	141.9	118.3	-76.1	0	0	0	0	108.9
935	L	26.5	Very low	30.6	Very low	147 Å²	147	139.5 Å²	139.5	77%	0.77	76%	0.764	S	S	*	*			trans	-89.7	149.2	174	-69.7	78.9	0	0	0	109.9
936	Q	32.5	Very low	30.7	Very low	206 Å²	206	140 Å²	140	96%	0.963	76%	0.76	S	S	*	*			trans	-151.6	173	133.6	-114.1	166.7	20.8	0	0	110.9
937	S	28.1	Very low	30.9	Very low	110 Å²	110	139 Å²	139	77%	0.769	75%	0.754	S	S	*	*			trans	-138.2	151.9	-154.7	176	0	0	0	0	111.6
938	S	33.8	Very low	31	Very low	88 Å²	88	139.6 Å²	139.6	62%	0.615	75%	0.754	S	S	*	*				154.5	159.9	113.9	62.1	0	0	0	0	114.1
939	K	33	Very low	31	Very low	204 Å²	204	137.5 Å²	137.5	89%	0.887	75%	0.746	S	S	*	*			trans	71.1	127.2	166.3	-52.8	167.2	-168.3	178.8	0	115.4
940	G	33.5	Very low	31.1	Very low	63 Å²	63	136.3 Å²	136.3	65%	0.649	74%	0.743	S	S	*	*			cis	161.7	163.3	-7.7	0	0	0	0	0	111.6
941	T	33.1	Very low	31.2	Very low	125 Å²	125	133.7 Å²	133.7	77%	0.767	73%	0.732	S	S	*	*			trans	48.6	137.9	148.5	52.5	0	0	0	0	120.5
942	E	30.3	Very low	31.4	Very low	162 Å²	162	132.8 Å²	132.8	76%	0.757	73%	0.727	S	S	*	*			cis	-178.8	168.6	-7.6	-120.1	-171.9	-106.6	0	0	106.4
943	H	32.5	Very low	31.3	Very low	136 Å²	136	133 Å²	133	63%	0.63	72%	0.724	S	S	*	*			cis	-163.1	-167.7	-8.8	-164.7	24.1	0	0	0	108.9
944	Q	33.5	Very low	31.5	Very low	146 Å²	146	131.5 Å²	131.5	68%	0.682	72%	0.717	S	S	*	*			trans	76.6	149.4	154	-57.9	-136.3	48.1	0	0	121.2
945	I	31.1	Very low	31.7	Very low	100 Å²	100	134.3 Å²	134.3	51%	0.513	71%	0.711	S	S	.	*			cis	-169	157.3	-36.6	-139.3	156.2	0	0	0	110.9
946	K	32.9	Very low	32	Very low	162 Å²	162	134.9 Å²	134.9	70%	0.704	72%	0.715	S	S	*	*			trans	65.9	153.7	164.7	-68.6	167.5	-164.1	155.5	0	117
947	D	32.8	Very low	32	Very low	124 Å²	124	127.9 Å²	127.9	66%	0.663	70%	0.698	S	S	*	*			cis	-157.3	-179.5	-10.7	-106.9	-25	0	0	0	107.1
948	V	34.6	Very low	32.3	Very low	120 Å²	120	129.6 Å²	129.6	73%	0.727	71%	0.705	S	S	*	*			cis	-148.3	126	9.4	96	0	0	0	0	106.2
949	T	28.7	Very low	32.2	Very low	94 Å²	94	131.1 Å²	131.1	58%	0.577	72%	0.715	S	S	*	*				60.5	110.3	86.7	-50.4	0	0	0	0	116
950	L	31.8	Very low	32.2	Very low	164 Å²	164	126 Å²	126	86%	0.859	71%	0.705	S	S	*	*			trans	172.4	151.6	131.5	-109.6	114.5	0	0	0	110.1
951	V	31.8	Very low	32.1	Very low	103 Å²	103	131.8 Å²	131.8	62%	0.624	71%	0.713	S	S	*	*			cis	-170.5	147.9	-44	117.4	0	0	0	0	108.5
952	S	30.6	Very low	32	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	72%	0.718	S	S	*	*			trans	61.9	153.5	166.1	67.8	0	0	0	0	118.7
953	N	31.5	Very low	32.3	Very low	138 Å²	138	134.1 Å²	134.1	74%	0.738	72%	0.717	S	S	*	*			cis	-151.3	157.5	-15.2	-110.2	1.1	0	0	0	111.1
954	E	30.4	Very low	32.4	Very low	134 Å²	134	135.1 Å²	135.1	63%	0.626	73%	0.726	S	S	*	*			trans	3.2	152.1	149.8	-31	-177.5	149.4	0	0	120.6
955	R	33.3	Very low	32.5	Very low	198 Å²	198	136 Å²	136	75%	0.747	73%	0.734	S	S	*	*			cis	-149.6	144.8	30.8	-72.6	176.4	-179.4	141	10.3	113.9
956	N	31.6	Very low	33	Very low	159 Å²	159	137.3 Å²	137.3	85%	0.85	75%	0.749	S	S	*	*			trans	40	133.6	135	-46.6	-10.1	0	0	0	120
957	G	33.9	Very low	33.6	Very low	59 Å²	59	138 Å²	138	61%	0.608	76%	0.755	S	S	*	*			cis	-164.6	152.9	2.1	0	0	0	0	0	110.2
958	T	32.8	Very low	34	Very low	147 Å²	147	137.5 Å²	137.5	90%	0.902	76%	0.759	S	S	*	*				50.6	128.3	84.7	66.6	0	0	0	0	113.8
959	S	32.7	Very low	34.3	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	76%	0.763	S	S	*	*			cis	-146	177.4	29.4	64.1	0	0	0	0	115.1
960	S	33.2	Very low	34.9	Very low	97 Å²	97	143 Å²	143	68%	0.678	78%	0.778	S	S	*	*			trans	-80.1	150.7	-173.1	54.5	0	0	0	0	115.5
961	F	30.7	Very low	35	Very low	184 Å²	184	146.5 Å²	146.5	81%	0.807	78%	0.779	S	S	*	*			trans	-137.1	107.8	144.9	-118.2	-74.7	0	0	0	112.3	K963	F961-K963 HydrophobicContact CD1-CD 4.41Å
962	L	32.1	Very low	35.1	Very low	170 Å²	170	151.1 Å²	151.1	89%	0.89	79%	0.791	S	S	*	*			trans	-79	124	163.1	-76.5	166.6	0	0	0	108.6
963	K	36.3	Very low	35.3	Very low	167 Å²	167	154.2 Å²	154.2	73%	0.726	80%	0.8	S	S	*	*			trans	-148.2	93.5	172.9	-138.4	166.5	-172.7	173.9	0	115	F961	F961-K963 HydrophobicContact CD1-CD 4.41Å
964	L	33.3	Very low	35.3	Very low	156 Å²	156	153.3 Å²	153.3	82%	0.817	80%	0.804	S	S	*	*			trans	46.9	109.5	138.7	-69.1	157.9	0	0	0	119.3
965	L	37.6	Very low	35.7	Very low	165 Å²	165	151.8 Å²	151.8	86%	0.864	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-55.7	130.6	156.5	-84.3	153.9	0	0	0	111.5	Q967	L965-Q967 PolarHBondContact O-N 3.46Å
966	P	41.2	Very low	35.7	Very low	127 Å²	127	148.3 Å²	148.3	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.2	125.2	175.1	-20.9	33.2	0	0	0	112.9
967	Q	44	Very low	36	Very low	178 Å²	178	147.4 Å²	147.4	83%	0.832	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-85.4	151.6	167.2	-71.7	-165.6	11.2	0	0	111.7	L965	L965-Q967 PolarHBondContact O-N 3.46Å
968	P	41	Very low	35.9	Very low	113 Å²	113	153.1 Å²	153.1	73%	0.734	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-69.7	143	179.3	28.5	-35.1	0	0	0	112.5	K970	P968-K970 PolarHBondContact O-N 2.77Å
969	P	41.7	Very low	36.3	Very low	125 Å²	125	153.4 Å²	153.4	81%	0.812	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.5	120.4	-168.3	28.5	-35.5	0	0	0	113.7
970	K	40.7	Very low	36.4	Very low	204 Å²	204	153.4 Å²	153.4	89%	0.887	81%	0.812	S	S	*	*			trans	-84.5	110	165.1	-69	178.6	-179.2	173.5	0	109.8	P968	P968-K970 PolarHBondContact O-N 2.77Å
971	R	34.9	Very low	36.7	Very low	238 Å²	238	156.4 Å²	156.4	90%	0.898	82%	0.815	S	S	*	*			trans	-77.7	121.1	167.7	-78.1	-177.3	170.9	146.4	-1.7	110.4
972	K	34	Very low	37.1	Very low	199 Å²	199	155.7 Å²	155.7	87%	0.865	81%	0.812	S	S	*	*			trans	-110.1	136.4	152.3	-74.5	-173.2	175.6	-174.8	0	107.3
973	N	35.5	Very low	37.3	Very low	161 Å²	161	155.4 Å²	155.4	86%	0.861	81%	0.808	S	S	*	*			trans	-99.5	129.7	159.4	-74.4	21.2	0	0	0	107.2
974	S	30.6	Very low	37.3	Very low	119 Å²	119	154.3 Å²	154.3	83%	0.832	81%	0.81	S	S	*	*			trans	-111.1	133.5	172.2	48	0	0	0	0	109.3
975	A	38.4	Very low	37.6	Very low	103 Å²	103	153.2 Å²	153.2	85%	0.851	81%	0.805	S	S	*	*			trans	-123.5	107.1	172.1	0	0	0	0	0	109.3
976	T	34.6	Very low	37.6	Very low	125 Å²	125	152.2 Å²	152.2	77%	0.767	80%	0.795	S	S	*	*			trans	-29	129.7	169.9	-50.7	0	0	0	0	116.9
977	T	37	Very low	37.3	Very low	139 Å²	139	153.3 Å²	153.3	85%	0.853	79%	0.79	S	S	*	*				-162.5	156.5	116.3	14	0	0	0	0	110.3
978	Q	32.6	Very low	37.1	Very low	179 Å²	179	151.9 Å²	151.9	84%	0.836	78%	0.783	S	S	*	*			trans	-106.1	162.9	-179.2	-62.7	170	-7.4	0	0	109.9
979	I	39.5	Very low	36.9	Very low	154 Å²	154	152.1 Å²	152.1	79%	0.79	78%	0.782	S	S	*	*				171.7	104.7	129.8	-85.9	155.1	0	0	0	109.8
980	D	35.4	Very low	36.6	Very low	119 Å²	119	150.6 Å²	150.6	64%	0.636	77%	0.774	S	S	*	*			trans	57.5	130.5	137.9	-66.9	-60.5	0	0	0	127.4
981	H	40.3	Very low	36.4	Very low	159 Å²	159	147.3 Å²	147.3	74%	0.736	77%	0.765	S	S	*	*			trans	74.2	148.8	142.9	-60	5.7	0	0	0	118.2
982	K	37.6	Very low	36.5	Very low	169 Å²	169	144.6 Å²	144.6	74%	0.735	76%	0.763	S	S	*	*			cis	-159.1	148.6	-5.2	-124	-178.5	178.3	177.6	0	110.2
983	M	38.1	Very low	36.6	Very low	164 Å²	164	139.2 Å²	139.2	81%	0.808	76%	0.756	S	S	*	*			trans	37.2	126.2	158.4	-47.3	-165.2	-55.4	0	0	120.3
984	N	35.4	Very low	36.6	Very low	144 Å²	144	137.2 Å²	137.2	77%	0.77	75%	0.749	S	S	*	*			cis	90.1	114.9	37.3	-158.8	85.2	0	0	0	115
985	N	39.4	Very low	36.8	Very low	133 Å²	133	139.5 Å²	139.5	71%	0.711	75%	0.751	S	S	*	*			trans	168.4	153.6	137.7	-84.1	-1.9	0	0	0	115.2
986	H	38.7	Very low	36.7	Very low	144 Å²	144	138 Å²	138	67%	0.667	75%	0.746	S	S	*	*			trans	-5.9	149.9	169.3	-62.8	-63.9	0	0	0	122.6
987	E	35	Very low	36.8	Very low	151 Å²	151	140 Å²	140	71%	0.706	75%	0.75	S	S	*	*			cis	100.9	160.7	25.8	-74	-174.3	127.6	0	0	116.4
988	H	39.7	Very low	36.7	Very low	148 Å²	148	137 Å²	137	69%	0.685	75%	0.746	S	S	*	*			trans	79.5	120.2	171.6	-64.9	-66.2	0	0	0	117.7
989	T	35.9	Very low	36.7	Very low	117 Å²	117	137 Å²	137	72%	0.718	75%	0.746	S	S	*	*				76	137.9	57	64	0	0	0	0	114
990	S	35	Very low	36.4	Very low	93 Å²	93	136.3 Å²	136.3	65%	0.65	74%	0.743	S	S	*	*			cis	179.8	-174.1	-1.9	46.7	0	0	0	0	112.1
991	I	37.7	Very low	36.5	Very low	135 Å²	135	135.8 Å²	135.8	69%	0.692	74%	0.744	S	S	*	*			trans	94.9	123.6	147.3	-77.9	164.1	0	0	0	120.5
992	E	35.7	Very low	35.9	Very low	181 Å²	181	134.8 Å²	134.8	85%	0.846	75%	0.745	S	S	*	*			trans	47.4	160	143.4	-61.2	174.5	163.4	0	0	120.7
993	A	36.4	Very low	35.7	Very low	87 Å²	87	136 Å²	136	72%	0.719	75%	0.746	S	S	*	*			cis	-167.9	177	-2.6	0	0	0	0	0	108.7
994	T	35	Very low	35.4	Very low	118 Å²	118	134.7 Å²	134.7	72%	0.724	74%	0.742	S	S	*	*			cis	-176.9	144.3	-30.3	-82.2	0	0	0	0	109.3
995	L	35.6	Very low	35.2	Very low	168 Å²	168	133.3 Å²	133.3	88%	0.88	74%	0.739	S	S	*	*			trans	68.5	151.8	175.7	-70.1	161.1	0	0	0	117.9
996	G	36.1	Very low	35	Very low	71 Å²	71	132.2 Å²	132.2	73%	0.732	74%	0.737	S	S	*	*			trans	-176	-50.1	-179.9	0	0	0	0	0	120.5
997	I	36.1	Very low	34.8	Very low	168 Å²	168	132.2 Å²	132.2	86%	0.862	74%	0.742	S	S	*	*			trans	57.4	116	175.3	-48.6	176.4	0	0	0	118.7
998	G	35.1	Very low	34.8	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	74%	0.742	S	S	*	*			trans	80.3	161.3	154.9	0	0	0	0	0	117.4
999	E	32.5	Very low	34.6	Very low	180 Å²	180	132.2 Å²	132.2	84%	0.841	75%	0.746	S	S	*	*			cis	-159.9	162.3	-20	-153.6	179.8	-165.4	0	0	109.5
1000	L	34	Very low	34.8	Very low	139 Å²	139	130.1 Å²	130.1	73%	0.728	74%	0.737	S	S	*	*			trans	72.4	149.2	164.2	-108.1	69.4	0	0	0	122
1001	T	37.1	Very low	34.9	Very low	108 Å²	108	134.3 Å²	134.3	66%	0.663	74%	0.743	S	S	*	*			trans	56	104.1	153.7	51.9	0	0	0	0	121.9
1002	D	29.1	Very low	34.9	Very low	138 Å²	138	135 Å²	135	74%	0.738	75%	0.748	S	S	*	*				46.9	153.5	114.5	-55.1	-22.7	0	0	0	124
1003	Y	32.9	Very low	35	Very low	196 Å²	196	132.4 Å²	132.4	77%	0.769	74%	0.744	S	S	*	*			trans	76.1	90.4	164.6	-68.9	-73.6	0	0	0	120.4
1004	N	30.7	Very low	35	Very low	136 Å²	136	133.2 Å²	133.2	73%	0.727	75%	0.745	S	S	*	*				71.7	161	121	-77.2	-2.9	0	0	0	122.5
1005	T	31.9	Very low	35.1	Very low	115 Å²	115	134.4 Å²	134.4	71%	0.706	75%	0.745	S	S	*	*			trans	78	84.5	151.1	25.6	0	0	0	0	119.9
1006	T	34.2	Very low	35.2	Very low	109 Å²	109	133.7 Å²	133.7	67%	0.669	74%	0.737	S	S	*	*				70.6	152	115.8	53.9	0	0	0	0	122
1007	N	34.5	Very low	35.3	Very low	144 Å²	144	137.3 Å²	137.3	77%	0.77	74%	0.735	S	S	*	*			trans	74.9	143.5	147.9	-74.1	7.2	0	0	0	117.6
1008	E	35.3	Very low	35.3	Very low	152 Å²	152	134.8 Å²	134.8	71%	0.71	73%	0.728	S	S	*	*			cis	-168	-160.2	-19.8	-126.5	-79.7	155.4	0	0	106.1
1009	L	36.1	Very low	35.4	Very low	147 Å²	147	135.8 Å²	135.8	77%	0.77	72%	0.723	S	S	*	*			trans	81.2	134.1	161.5	-53.2	173.5	0	0	0	116.8
1010	S	39.3	Very low	35.7	Very low	74 Å²	74	133.9 Å²	133.9	52%	0.517	72%	0.719	S	S	.	*			cis	-170.8	167.8	-12.3	55.6	0	0	0	0	112.5
1011	K	38.6	Very low	35.9	Very low	181 Å²	181	133.8 Å²	133.8	79%	0.787	72%	0.718	S	S	*	*			trans	69.9	132.6	144.5	-78.9	163.7	-170.7	170.6	0	116.9
1012	L	36.1	Very low	35.8	Very low	149 Å²	149	134.9 Å²	134.9	78%	0.78	72%	0.72	S	S	*	*			cis	-138.3	174.7	0.8	-66.3	165.5	0	0	0	108
1013	T	38.8	Very low	36.1	Very low	126 Å²	126	135.8 Å²	135.8	77%	0.773	72%	0.72	S	S	*	*			cis	-153.4	163.8	17.7	-29.9	0	0	0	0	110.6
1014	S	36.3	Very low	36	Very low	105 Å²	105	134.4 Å²	134.4	73%	0.734	73%	0.725	S	S	*	*			trans	-60.2	167.9	179.1	-38.9	0	0	0	0	114.5
1015	I	37.3	Very low	36.2	Very low	142 Å²	142	131.5 Å²	131.5	73%	0.728	73%	0.727	S	S	*	*				-162.8	131.2	68.4	-80.8	173.4	0	0	0	111.1
1016	E	37.1	Very low	36.3	Very low	154 Å²	154	133.1 Å²	133.1	72%	0.72	73%	0.732	S	S	*	*			trans	44.8	150.7	141.9	-57.5	-174	114.6	0	0	122.7
1017	Q	38.2	Very low	36.2	Very low	146 Å²	146	136.1 Å²	136.1	68%	0.682	74%	0.736	S	S	*	*			cis	-156.5	133.6	2.8	-126.1	169.1	38.4	0	0	112.6
1018	T	36.2	Very low	36.4	Very low	115 Å²	115	137.3 Å²	137.3	71%	0.706	73%	0.734	S	S	*	*			trans	40.1	134.6	140.5	57.9	0	0	0	0	126
1019	S	38	Very low	36.2	Very low	96 Å²	96	137.1 Å²	137.1	67%	0.671	74%	0.738	S	S	*	*			trans	67.1	145.7	132.9	63	0	0	0	0	122.3
1020	D	37.7	Very low	36	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	74%	0.741	S	S	*	*			cis	-162.7	156.2	-11.5	-104.3	-24.1	0	0	0	113.5
1021	L	37.6	Very low	35.7	Very low	137 Å²	137	140 Å²	140	72%	0.717	76%	0.758	S	S	*	*			trans	41.5	135.7	145.5	-62.4	170.4	0	0	0	124.5
1022	N	35.3	Very low	35.5	Very low	131 Å²	131	137.4 Å²	137.4	70%	0.701	76%	0.758	S	S	*	*			trans	67.9	152.5	144.1	-62.1	3.7	0	0	0	119.3
1023	E	35.2	Very low	35.3	Very low	157 Å²	157	140.6 Å²	140.6	73%	0.734	76%	0.761	S	S	*	*			cis	-153.9	160.9	-10.3	-126.3	-176.7	129.4	0	0	112.3
1024	L	31.8	Very low	35.3	Very low	166 Å²	166	141.7 Å²	141.7	87%	0.869	76%	0.762	S	S	*	*			trans	34.2	119.1	146.2	-146.2	73	0	0	0	121.7
1025	G	34.5	Very low	35.3	Very low	75 Å²	75	141.6 Å²	141.6	77%	0.773	76%	0.759	S	S	*	*			trans	-177.4	107.5	166.6	0	0	0	0	0	116.8
1026	N	34.1	Very low	35.4	Very low	150 Å²	150	140.9 Å²	140.9	80%	0.802	76%	0.761	S	S	*	*			trans	-60.6	143.5	180	-67.6	-62.2	0	0	0	114.8
1027	F	33.3	Very low	35.5	Very low	172 Å²	172	140.6 Å²	140.6	75%	0.754	76%	0.764	S	S	*	*				173.4	123.9	103.3	-103.6	-81.6	0	0	0	115.6
1028	K	36.8	Very low	35.3	Very low	169 Å²	169	138.6 Å²	138.6	74%	0.735	77%	0.766	S	S	*	*			trans	34.4	106.7	148.2	-64.7	177	-172.6	173.7	0	121.7
1029	N	31.9	Very low	35.4	Very low	148 Å²	148	148.4 Å²	148.4	79%	0.791	79%	0.791	S	S	*	*				75.1	152.4	128.1	-69	7.5	0	0	0	123.2
1030	T	32.5	Very low	35.2	Very low	138 Å²	138	151.1 Å²	151.1	85%	0.847	80%	0.796	S	S	*	*			trans	72.7	84.5	163.1	41.3	0	0	0	0	119.1	T1032	T1030-T1032 PolarHBondContact O-N 3.12Å
1031	T	32.9	Very low	35.1	Very low	142 Å²	142	151.6 Å²	151.6	87%	0.871	80%	0.799	S	S	*	*			trans	-39.8	123.9	157.3	-46.2	0	0	0	0	114.3
1032	T	33.4	Very low	35	Very low	127 Å²	127	152.4 Å²	152.4	78%	0.779	80%	0.804	S	S	*	*			trans	-161.9	104.4	155.3	-71.1	0	0	0	0	110.5	T1030	T1030-T1032 PolarHBondContact O-N 3.12Å
1033	Y	32.9	Very low	34.9	Very low	217 Å²	217	153.7 Å²	153.7	85%	0.851	81%	0.81	S	S	*	*			trans	-166.5	147.4	171.8	-83.9	-38.2	0	0	0	107.3
1034	L	37.6	Very low	34.9	Very low	149 Å²	149	153.5 Å²	153.5	78%	0.78	81%	0.814	S	S	*	*			cis	-144.4	174	-9	-99.1	170.3	0	0	0	108.5
1035	P	37	Very low	35.1	Very low	103 Å²	103	152.7 Å²	152.7	67%	0.669	81%	0.811	S	S	*	*			trans	-96.8	-148.3	-175.9	42.2	-37.6	0	0	0	112.7
1036	T	38.9	Very low	35.2	Very low	127 Å²	127	158.2 Å²	158.2	78%	0.779	81%	0.813	S	S	*	*			trans	80.7	150.1	-169.4	86.8	0	0	0	0	114
1037	D	39	Very low	35.3	Very low	147 Å²	147	158.8 Å²	158.8	79%	0.786	81%	0.814	S	S	*	*			cis	-136.4	174.2	6.4	-136.4	-38.4	0	0	0	114.1
1038	S	33.9	Very low	35.4	Very low	104 Å²	104	157.8 Å²	157.8	73%	0.727	82%	0.819	S	S	*	*			trans	-103.7	138.5	-171.6	63.3	0	0	0	0	114.8
1039	R	38.4	Very low	35.3	Very low	322 Å²	322	156.7 Å²	156.7	100%	1.215	83%	0.827	S	S	*	*			trans	-160.3	0	154.8	-118.1	179.1	-174.2	-176.5	3.4	111.9

Retrieved 1,039 of 1,039 residues in 404.5 ms (Link to these results)

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