A0A087XE40_POEFO Loading...

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase

Catalyzes the hydrolysis of 1-phosphatidylinositol 4,5-bisphosphate into diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) and mediates intracellular signaling downstream of G protein-coupled receptors. Regulates the function of the endothelial barrier.

AlphaFold DB , UniProt , Accession A0A087XE40, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,248 aa.

						>A0A087XE40_POEFO|A0A087XE40
MAGAQPGVHALQLKPVSVPECLRKGSKFMKWDDDSTTVTPVTLTVDPKGYFLYWIDQNKDTDLLDITYIKDARNGKCTKTPKDAKLRELLDVSTLPGKLENRMLTVVSGTDMVNITYMNFMAFQEEIAKEWAEELFSLASNLLAQNMSREACLEKAYTRLKLQLNPEGRIPVKNIFRMFSADRKRVETALENCNLPAGRNDSIPQEDFTPEVYSMFLSNICSRPELDNIFSEVGAKSRPYLTVEQMTEFINSKQRDPRLNEILYPPLKPEQVQLLVDKYEPNISLAQKGQISMDGFARYLNGEENSIIPPEKLDQSEDMTFPLSHYFINSSHNTYLTAAGQLAGNSSVEMYKQVLLSGCRCIELDCWKGRTTEEEPVITHGFTMTTEISFKEVIEAIAECAFKTSPFPVILSFENHVDSPKQQAKMAEYCRSIFGDALLMEPLEKYPLDAGVPLPSPMELLGKILVKNKKKHQKAEGSTKKKLSEQVSNTYSDSSSVCEPSSPSAGSTKEEMADSSQPSDGAELNLRPHGRKSIGEVEAESDDEDDDDDDCKKGSMDEGTAGSEAFATEEMSNLVIYIQPVKFYCFETSKKINRSFHMSSFVETKALEQLTKSPVEFVEYNKLQLSRIYPKGTRVDSSNYNPQLFWNAGCQLVALNFQTIDLSMQLNLGMYEYNGKCGYRLKPEFMRRPDKHFDPFTESTVDGIVANTLSVKIVSGQFLTDKKVGTYVEIDMFGLPVDTKRKAFKTKTSQGNAINPLWEEEAIVFKKVVLPTLASLRIAVFEEGGKFIGHRIMPVSAIRPGYRYISLRNEKNQSLMLPALFVYVEVKDYVPDTFADVIEALSNPIRYVNLMEQRANQLAALTLEEGGEEEGDKEVEAGSDAPSESTVDQRPVVPAENGVSRTPIIAPKPPSLVGHQPQSAGTGSLKPSVKTEDIIQSVLTELEAQTVEELKQQKGFVREQRKQYKEMKELVKKHHRKTSELIKEQTARVSELQSQHQRRRSTLQKSHKRDGKKSRSENSLSTLDQELCELDQECGQKLAELKEQQQQQLLKLRQEQYYSEKYLKREHIPQLVEKLTTIAEECQSAQLKKIKDICEKEKKDLKKKMDKKRQEKINEAKAKDKNLTEEEKLEINRSFVNEVVQYIKRMEDAQCKRQERLQEKHKDIRQQILDEKPKLQSDLDQEYQDKFRRLPVEIQEFVQDSSKTKLCDDSLPGNLVSSSTTERLNHKASQSEDDMEEGSSEHAFDTAL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	45.9	Very low	235 Å²	235	104.5 Å²	104.5	100%	1.158	69%	0.688	S	S	*	*				0	60	0	-66.2	-59.9	-92.1	0	0	111.7
2	A	24.6	Very low	49.3	Very low	89 Å²	89	106.4 Å²	106.4	74%	0.736	68%	0.68	S	S	*	*			trans	-166.9	114	166	0	0	0	0	0	106.2
3	G	25.8	Very low	52.2	Low	75 Å²	75	100.7 Å²	100.7	77%	0.773	64%	0.641	S	S	*	*			trans	142.6	-13.8	-174.9	0	0	0	0	0	116.1	Q5	G3-Q5 PolarHBondContact O-N 3.19Å
4	A	27.1	Very low	54.8	Low	101 Å²	101	105.1 Å²	105.1	84%	0.835	65%	0.645	S	S	*	*			trans	-73.7	117	167.5	0	0	0	0	0	109.5
5	Q	34	Very low	56.9	Low	168 Å²	168	104.9 Å²	104.9	79%	0.785	65%	0.647	S	S	*	*			trans	-68.5	137.3	165.6	-70.2	-166.2	10.6	0	0	109.4	G3 G7	G3-Q5 PolarHBondContact O-N 3.19Å; Q5-G7 PolarHBondContact O-N 3.43Å
6	P	33.7	Very low	59	Low	133 Å²	133	101.4 Å²	101.4	86%	0.864	62%	0.624	S	S	*	*	S	Bend	trans	-80.2	89.5	179	32	-33.8	0	0	0	110.9
7	G	46.8	Very low	60.9	Low	62 Å²	62	100.4 Å²	100.4	64%	0.639	62%	0.622	S	S	*	*			trans	-165.7	132	171.9	0	0	0	0	0	111.6	Q5	Q5-G7 PolarHBondContact O-N 3.43Å
8	V	58.4	Low	62.8	Low	78 Å²	78	94.8 Å²	94.8	47%	0.473	59%	0.588	S	S	.	*			trans	-73.6	125.8	165.7	179.2	0	0	0	0	107	A10 L263 Y264	V8-A10 PolarHBondContact O-N 2.97Å; V8-A10 VanDerWaalsContact O-N 3.14Å; V8-L263 HydrophobicContact CG2-CB 4.47Å; V8-Y264 HydrophobicContact CG1-CE1 4.25Å
9	H	70.2	Confident	64.4	Low	52 Å²	52	91.3 Å²	91.3	24%	0.241	57%	0.567	C	S	.	*			trans	-57.3	118.3	178.8	177.7	81.1	0	0	0	110.6	L11 D314 Q315 S316	H9-L11 PolarHBondContact O-N 3.09Å; H9-D314 IonicContact CD2-OD2 2.78Å; H9-D314 IonicContact CE1-OD2 3.54Å; H9-D314 IonicContact NE2-OD2 3.6Å; H9-D314 PolarHBondContact NE2-OD2 3.02Å; H9-Q315 PolarHBondContact CE1-O 3.27Å; H9-S316 VanDerWaalsContact CG-CB 3.47Å; H9-S316 WeakPolarHBondContact ND1-CB 3.46Å
10	A	71.3	Confident	65.8	Low	80 Å²	80	91.7 Å²	91.7	66%	0.661	56%	0.561	S	S	*	*			trans	-76.1	114.2	176.8	0	0	0	0	0	109.4	V8 Q12	V8-A10 PolarHBondContact O-N 2.97Å; V8-A10 VanDerWaalsContact O-N 3.14Å; A10-Q12 WeakPolarHBondContact O-CG 3.38Å; A10-Q12 PolarHBondContact O-N 2.99Å
11	L	81	Confident	67	Low	77 Å²	77	89 Å²	89	40%	0.403	55%	0.546	S	S	.	.			trans	-57.1	117.6	-176.5	-173.8	69.4	0	0	0	111.5	H9 L13 P310 E311 D314	H9-L11 PolarHBondContact O-N 3.09Å; L11-L13 HydrophobicContact CD1-CB 4.05Å; L11-L13 HydrophobicContact CD1-CD1 4.43Å; L11-L13 HydrophobicContact CD1-CG 4.35Å; L11-L13 HydrophobicContact CG-CB 4.3Å; L11-P310 HydrophobicContact CD1-CB 3.77Å; L11-P310 HydrophobicContact CD2-CB 3.86Å; L11-E311 HydrophobicContact CD1-CG 4.48Å; L11-D314 HydrophobicContact CD1-CB 3.92Å
12	Q	86.6	Confident	70	Confident	127 Å²	127	77.8 Å²	77.8	59%	0.593	49%	0.491	S	S	*	.			trans	-92.9	-23.1	178.1	-53.2	-171.7	26.1	0	0	112.1	A10 K14 D314	A10-Q12 WeakPolarHBondContact O-CG 3.38Å; A10-Q12 PolarHBondContact O-N 2.99Å; Q12-K14 PolarHBondContact O-N 3.22Å; Q12-D314 PolarHBondContact N-OD2 3.29Å
13	L	87.9	Confident	73.3	Confident	32 Å²	32	78.3 Å²	78.3	17%	0.168	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-59.5	118.2	174.9	-66.1	-178.8	0	0	0	111	L11 L142 L143 L313 D314	L11-L13 HydrophobicContact CD1-CB 4.05Å; L11-L13 HydrophobicContact CD1-CD1 4.43Å; L11-L13 HydrophobicContact CD1-CG 4.35Å; L11-L13 HydrophobicContact CG-CB 4.3Å; L13-L142 HydrophobicContact CD1-CB 4.31Å; L13-L142 HydrophobicContact CD2-CB 4.32Å; L13-L142 HydrophobicContact CD2-CD1 4.27Å; L13-L143 HydrophobicContact CB-CD1 4.03Å; L13-L143 HydrophobicContact CB-CD2 4.19Å; L13-L143 HydrophobicContact CB-CG 4.03Å; L13-L143 HydrophobicContact CD1-CD2 3.79Å; L13-L143 HydrophobicContact CD1-CG 4.27Å; L13-L313 HydrophobicContact CD1-CB 4.09Å; L13-D314 HydrophobicContact CD1-CB 3.91Å; L13-D314 HydrophobicContact CG-CB 3.82Å
14	K	87.6	Confident	76.6	Confident	162 Å²	162	82 Å²	82	70%	0.704	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-89.3	139.1	178.6	-64	176.3	-175.1	172	0	110.9	Q12 N141	Q12-K14 PolarHBondContact O-N 3.22Å; K14-N141 PolarHBondContact O-ND2 2.72Å
15	P	87.4	Confident	79.7	Confident	103 Å²	103	78 Å²	78	67%	0.669	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-53.4	155	166.7	-25.7	35.1	0	0	0	112.2	S17	P15-S17 PolarHBondContact O-N 2.81Å
16	V	89.2	Confident	82.6	Confident	48 Å²	48	70.8 Å²	70.8	29%	0.291	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-63.5	127.7	178.1	-174.8	0	0	0	0	110	V18 K48 L138 A144	V16-V18 HydrophobicContact CG1-CG2 4.45Å; V16-K48 WeakPolarHBondContact CG1-O 3.4Å; V16-L138 HydrophobicContact CG1-CD2 3.56Å; V16-A144 HydrophobicContact CG2-CB 3.77Å
17	S	91.8	Very high	85.4	Confident	84 Å²	84	71.7 Å²	71.7	59%	0.587	40%	0.395	S	S	*	.			trans	-138	93.7	178.2	171.1	0	0	0	0	109.8	P15 P19	P15-S17 PolarHBondContact O-N 2.81Å; S17-P19 WeakPolarHBondContact O-CD 3.36Å
18	V	94.7	Very high	87.7	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.006	37%	0.365	C	S	.	.			trans	-68.2	129.2	177.6	-175.1	0	0	0	0	110	V16 L22 R23 V45 D46 G49 L138	V16-V18 HydrophobicContact CG1-CG2 4.45Å; V18-L22 HydrophobicContact CG1-CB 3.71Å; V18-L22 HydrophobicContact CG1-CD2 4.48Å; V18-R23 HydrophobicContact CB-CG 4.19Å; V18-R23 HydrophobicContact CG1-CG 3.85Å; V18-R23 PolarHBondContact O-NE 3.23Å; V18-R23 PolarHBondContact O-NH2 2.93Å; V18-V45 HydrophobicContact CG1-CB 3.94Å; V18-V45 HydrophobicContact CG1-CG1 3.79Å; V18-V45 HydrophobicContact CG2-CG1 4.03Å; V18-D46 WeakPolarHBondContact CG2-O 3.38Å; V18-G49 VanDerWaalsContact CG2-CA 3.44Å; V18-L138 HydrophobicContact CG1-CD1 4.4Å; V18-L138 HydrophobicContact CG2-CD1 4.12Å; V18-L138 HydrophobicContact CG2-CD2 3.94Å
19	P	93.9	Very high	89.3	Confident	28 Å²	28	66.5 Å²	66.5	18%	0.182	35%	0.35	C	S	.	.			trans	-62.6	153.9	174.4	-26.5	36	0	0	0	114.3	S17 C21 L22 R23 E134	S17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-C21 VanDerWaalsContact C-N 3.31Å; P19-C21 VanDerWaalsContact CB-SG 3.56Å; P19-C21 PolarHBondContact O-N 3.41Å; P19-L22 PolarHBondContact O-N 2.81Å; P19-L22 VanDerWaalsContact O-N 3.13Å; P19-R23 WeakPolarHBondContact O-CG 3.39Å; P19-R23 PolarHBondContact O-N 3.44Å; P19-E134 HydrophobicContact CG-CB 4.18Å; P19-E134 VanDerWaalsContact CG-CD 3.48Å; P19-E134 HydrophobicContact CG-CG 3.74Å; P19-E134 VanDerWaalsContact CG-OE2 3.32Å; P19-E134 WeakPolarHBondContact CG-OE2 3.23Å
20	E	92.2	Very high	90.4	Very high	99 Å²	99	65.4 Å²	65.4	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-67.5	-28.2	-175	-173.8	63.2	-173.7	0	0	113.6	R23 K24	E20-R23 PolarHBondContact O-N 3.34Å; E20-K24 HydrophobicContact CG-CD 4.44Å; E20-K24 HydrophobicContact CG-CG 4.48Å; E20-K24 WeakPolarHBondContact O-CB 3.4Å; E20-K24 WeakPolarHBondContact O-CG 3.49Å; E20-K24 PolarHBondContact O-N 3.44Å; E20-K24 IonicContact OE1-NZ 3.7Å; E20-K24 PolarHBondContact OE1-NZ 3.05Å
21	C	91.6	Very high	91.4	Very high	34 Å²	34	61.6 Å²	61.6	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-39	171.6	49.5	0	0	0	0	112.5	P19 G25 E130	P19-C21 VanDerWaalsContact C-N 3.31Å; P19-C21 VanDerWaalsContact CB-SG 3.56Å; P19-C21 PolarHBondContact O-N 3.41Å; C21-G25 PolarHBondContact O-N 2.9Å; C21-E130 PolarHBondContact SG-OE1 2.81Å; C21-E130 PolarHBondContact SG-OE2 2.93Å
22	L	94.9	Very high	91.7	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-72.1	-37.2	175	-89.9	65.1	0	0	0	111.7	V18 P19 G25 V45 W131 E134 L138	V18-L22 HydrophobicContact CG1-CB 3.71Å; V18-L22 HydrophobicContact CG1-CD2 4.48Å; P19-L22 PolarHBondContact O-N 2.81Å; P19-L22 VanDerWaalsContact O-N 3.13Å; L22-G25 PolarHBondContact O-N 3.35Å; L22-V45 HydrophobicContact CB-CB 4.23Å; L22-V45 HydrophobicContact CB-CG2 4.32Å; L22-V45 HydrophobicContact CD2-CG2 4.1Å; L22-V45 HydrophobicContact CG-CG2 4.31Å; L22-V45 PolarHBondContact O-N 3.36Å; L22-W131 HydrophobicContact CB-CH2 4.27Å; L22-W131 HydrophobicContact CB-CZ2 4.33Å; L22-W131 HydrophobicContact CD1-CD2 3.84Å; L22-W131 HydrophobicContact CD1-CE3 4.33Å; L22-W131 HydrophobicContact CD1-CG 4.09Å; L22-W131 HydrophobicContact CD1-CZ2 4.1Å; L22-W131 HydrophobicContact CG-CD2 4.01Å; L22-W131 HydrophobicContact CG-CE3 4Å; L22-W131 HydrophobicContact CG-CH2 3.89Å; L22-W131 HydrophobicContact CG-CZ2 3.92Å; L22-W131 HydrophobicContact CG-CZ3 3.93Å; L22-E134 HydrophobicContact CD1-CB 4.44Å; L22-E134 HydrophobicContact CD2-CB 3.92Å; L22-L138 HydrophobicContact CD2-CD1 4.06Å
23	R	94.3	Very high	91.4	Very high	101 Å²	101	57.6 Å²	57.6	38%	0.381	30%	0.296	S	S	.	.	H	α-helix	trans	-70.4	-42	176.9	-65.2	-179.5	-157.8	-171.4	3.4	114	V18 P19 E20 G25 T44	V18-R23 HydrophobicContact CB-CG 4.19Å; V18-R23 HydrophobicContact CG1-CG 3.85Å; V18-R23 PolarHBondContact O-NE 3.23Å; V18-R23 PolarHBondContact O-NH2 2.93Å; P19-R23 WeakPolarHBondContact O-CG 3.39Å; P19-R23 PolarHBondContact O-N 3.44Å; E20-R23 PolarHBondContact O-N 3.34Å; R23-G25 PolarHBondContact O-N 2.83Å; R23-T44 WeakPolarHBondContact O-CG2 3.29Å
24	K	93.4	Very high	91	Very high	152 Å²	152	64.3 Å²	64.3	66%	0.661	33%	0.332	S	S	*	.	H	α-helix	trans	-71.3	-20	175.6	-77	-173.5	165.7	84	0	112.6	E20	E20-K24 HydrophobicContact CG-CD 4.44Å; E20-K24 HydrophobicContact CG-CG 4.48Å; E20-K24 WeakPolarHBondContact O-CB 3.4Å; E20-K24 WeakPolarHBondContact O-CG 3.49Å; E20-K24 PolarHBondContact O-N 3.44Å; E20-K24 IonicContact OE1-NZ 3.7Å; E20-K24 PolarHBondContact OE1-NZ 3.05Å
25	G	93.3	Very high	90.6	Very high	17 Å²	17	58.4 Å²	58.4	18%	0.175	31%	0.311	C	S	.	.			trans	79.4	154.4	-175.3	0	0	0	0	0	112.9	C21 L22 R23 L43	C21-G25 PolarHBondContact O-N 2.9Å; L22-G25 PolarHBondContact O-N 3.35Å; R23-G25 PolarHBondContact O-N 2.83Å; G25-L43 CarbonylContact C-O 3.58Å; G25-L43 WeakPolarHBondContact CA-O 3.23Å
26	S	94.6	Very high	90.1	Very high	17 Å²	17	57.7 Å²	57.7	12%	0.119	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.2	179.8	-70.4	0	0	0	0	110.6	L43 W131	S26-L43 PolarHBondContact N-O 3.36Å; S26-L43 PolarHBondContact O-N 3.45Å; S26-W131 PolarHBondContact OG-NE1 3.42Å; S26-W131 VanDerWaalsContact OG-NE1 3.13Å
27	K	93.2	Very high	89.7	Confident	151 Å²	151	59.3 Å²	59.3	66%	0.657	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.6	-178.8	-63.8	-172.2	177.8	-178.2	0	110.5	F123	K27-F123 HydrophobicContact CB-CD2 4.09Å; K27-F123 HydrophobicContact CB-CE2 3.86Å; K27-F123 WeakPolarHBondContact O-CD2 3.39Å
28	F	93.9	Very high	89.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	159.4	178.1	-77.1	-94.7	0	0	0	110.9	V41 L43 L104 F120 M121 A122 I127 W131	F28-V41 HydrophobicContact CB-CG2 4.12Å; F28-V41 PolarHBondContact N-O 2.84Å; F28-V41 PolarHBondContact O-N 2.84Å; F28-L43 HydrophobicContact CD2-CB 3.61Å; F28-L43 HydrophobicContact CD2-CD2 3.87Å; F28-L43 HydrophobicContact CD2-CG 4.4Å; F28-L43 HydrophobicContact CE2-CB 4.06Å; F28-L43 HydrophobicContact CE2-CD2 3.82Å; F28-L43 HydrophobicContact CG-CB 4.46Å; F28-L43 HydrophobicContact CG-CD2 4.39Å; F28-L43 HydrophobicContact CZ-CD2 4.32Å; F28-L104 HydrophobicContact CE1-CB 4.08Å; F28-L104 HydrophobicContact CE1-CD2 3.79Å; F28-L104 HydrophobicContact CZ-CD2 3.87Å; F28-F120 HydrophobicContact CB-CB 4.13Å; F28-F120 HydrophobicContact CB-CD1 4.29Å; F28-F120 HydrophobicContact CD1-CB 3.64Å; F28-F120 HydrophobicContact CE1-CB 4.34Å; F28-F120 HydrophobicContact CG-CB 4.15Å; F28-M121 CarbonylContact C-O 3.51Å; F28-M121 WeakPolarHBondContact CA-O 3.39Å; F28-A122 HydrophobicContact CD1-CB 3.96Å; F28-A122 HydrophobicContact CE1-CB 3.65Å; F28-A122 HydrophobicContact CZ-CB 4.27Å; F28-I127 HydrophobicContact CE2-CG2 4.26Å; F28-I127 HydrophobicContact CZ-CG2 3.96Å; F28-W131 AromaticContact CE2-CD2 3.89Å; F28-W131 HydrophobicContact CE2-CD2 3.89Å; F28-W131 AromaticContact CE2-CE2 3.92Å; F28-W131 HydrophobicContact CE2-CE3 4.42Å; F28-W131 HydrophobicContact CE2-CG 4.06Å; F28-W131 HydrophobicContact CE2-CZ2 4.46Å; F28-W131 HydrophobicContact CZ-CB 4.09Å; F28-W131 AromaticContact CZ-CD1 3.98Å; F28-W131 HydrophobicContact CZ-CD2 4.02Å; F28-W131 AromaticContact CZ-CG 3.73Å; F28-W131 HydrophobicContact CZ-CG 3.73Å
29	M	92.4	Very high	89.3	Confident	32 Å²	32	59 Å²	59	16%	0.158	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	104.2	170.1	-62.9	-64.4	-90.9	0	0	108.1	V38 P40 L90 F120 M121 F123	M29-V38 HydrophobicContact CB-CG1 3.68Å; M29-V38 HydrophobicContact CE-CG1 3.79Å; M29-V38 HydrophobicContact CG-CG1 4.43Å; M29-V38 HydrophobicContact SD-CG1 4.43Å; M29-P40 HydrophobicContact CE-CG 4.15Å; M29-P40 HydrophobicContact SD-CB 3.91Å; M29-P40 HydrophobicContact SD-CG 3.73Å; M29-L90 HydrophobicContact CB-CD2 4.35Å; M29-F120 CarbonylContact O-C 3.56Å; M29-F120 WeakPolarHBondContact O-CA 3.49Å; M29-M121 HydrophobicContact CB-CB 4.37Å; M29-M121 HydrophobicContact CB-CE 4.19Å; M29-M121 HydrophobicContact CG-CE 4.16Å; M29-M121 PolarHBondContact N-O 3.46Å; M29-M121 PolarHBondContact O-N 3.16Å; M29-F123 HydrophobicContact CG-CE1 4.31Å; M29-F123 HydrophobicContact CG-CE2 4.32Å; M29-F123 HydrophobicContact CG-CZ 3.74Å; M29-F123 HydrophobicContact SD-CZ 3.82Å
30	K	93.6	Very high	89.2	Confident	29 Å²	29	60.1 Å²	60.1	13%	0.126	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.2	175.8	-171.9	-167.1	179.1	-55.2	0	109.9	D32 T39 V41 N119 F120	K30-D32 IonicContact NZ-OD1 2.88Å; K30-D32 PolarHBondContact NZ-OD1 2.71Å; K30-D32 IonicContact NZ-OD2 3.71Å; K30-D32 PolarHBondContact NZ-OD2 3.22Å; K30-T39 PolarHBondContact N-O 3.41Å; K30-T39 PolarHBondContact O-N 2.63Å; K30-V41 HydrophobicContact CB-CG1 4.25Å; K30-V41 HydrophobicContact CB-CG2 4.12Å; K30-N119 WeakPolarHBondContact CA-O 3.49Å; K30-F120 HydrophobicContact CB-CD1 3.9Å; K30-F120 HydrophobicContact CB-CE1 4.01Å; K30-F120 HydrophobicContact CD-CE1 4.27Å; K30-F120 HydrophobicContact CG-CD1 4.04Å; K30-F120 HydrophobicContact CG-CE1 3.82Å
31	W	91.5	Very high	89.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	164	172.1	64.1	-86.4	0	0	0	111.3	V38 K79 P81 L86 L90 M103 N119	W31-V38 HydrophobicContact CB-CG2 4.46Å; W31-K79 HydrophobicContact CH2-CB 4.2Å; W31-K79 WeakPolarHBondContact CZ2-O 3.14Å; W31-P81 HydrophobicContact CE3-CB 4.37Å; W31-P81 HydrophobicContact CH2-CB 3.95Å; W31-P81 HydrophobicContact CZ2-CB 4.3Å; W31-P81 HydrophobicContact CZ3-CB 4Å; W31-L86 HydrophobicContact CB-CD1 4.16Å; W31-L86 HydrophobicContact CD2-CD2 4.37Å; W31-L86 HydrophobicContact CE3-CD2 3.67Å; W31-L86 HydrophobicContact CZ3-CD2 4.21Å; W31-L90 HydrophobicContact CB-CD1 4.47Å; W31-L90 HydrophobicContact CD2-CD1 4.11Å; W31-L90 HydrophobicContact CG-CD1 3.87Å; W31-L90 HydrophobicContact CG-CD2 4.5Å; W31-M103 HydrophobicContact CZ2-CE 3.37Å; W31-M103 VanDerWaalsContact NE1-CE 3.29Å; W31-N119 HydrophobicContact CD2-CB 3.73Å; W31-N119 HydrophobicContact CE3-CB 4.22Å; W31-N119 HydrophobicContact CG-CB 4.23Å; W31-N119 HydrophobicContact CH2-CB 4.04Å; W31-N119 VanDerWaalsContact CH2-ND2 3.3Å; W31-N119 WeakPolarHBondContact CH2-ND2 3.5Å; W31-N119 HydrophobicContact CZ2-CB 3.47Å; W31-N119 VanDerWaalsContact CZ2-CB 3.47Å; W31-N119 HydrophobicContact CZ3-CB 4.38Å; W31-N119 WeakPolarHBondContact CZ3-ND2 3.42Å; W31-N119 PolarHBondContact N-O 2.85Å
32	D	88	Confident	89.4	Confident	64 Å²	64	56.9 Å²	56.9	34%	0.342	30%	0.303	S	S	.	.			trans	-136.4	146.1	-179	-59.3	-70.3	0	0	0	109.6	K30 D34 S35	K30-D32 IonicContact NZ-OD1 2.88Å; K30-D32 PolarHBondContact NZ-OD1 2.71Å; K30-D32 IonicContact NZ-OD2 3.71Å; K30-D32 PolarHBondContact NZ-OD2 3.22Å; D32-D34 PolarHBondContact O-N 2.87Å; D32-S35 PolarHBondContact O-N 3.04Å; D32-S35 VanDerWaalsContact O-N 3.17Å
33	D	80.5	Confident	89.4	Confident	56 Å²	56	56.9 Å²	56.9	30%	0.299	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.6	-175.8	-77.7	-57.7	0	0	0	113.3	K79	D33-K79 WeakPolarHBondContact OD2-CD 3.29Å; D33-K79 IonicContact OD2-NZ 3.21Å; D33-K79 PolarHBondContact OD2-NZ 3.13Å
34	D	78.9	Confident	89.5	Confident	172 Å²	172	52.6 Å²	52.6	92%	0.92	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	3.1	-176.9	-58.4	-59.4	0	0	0	113.7	D32	D32-D34 PolarHBondContact O-N 2.87Å
35	S	79.2	Confident	89.7	Confident	38 Å²	38	45.4 Å²	45.4	27%	0.266	26%	0.257	S	S	.	.			trans	-125.2	140.7	-177.8	-169.9	0	0	0	0	113.5	D32 T37	D32-S35 PolarHBondContact O-N 3.04Å; D32-S35 VanDerWaalsContact O-N 3.17Å; S35-T37 VanDerWaalsContact C-N 3.32Å; S35-T37 PolarHBondContact OG-N 2.9Å; S35-T37 VanDerWaalsContact OG-N 3.16Å; S35-T37 PolarHBondContact OG-OG1 3.29Å
36	T	77.5	Confident	89.9	Confident	88 Å²	88	44.8 Å²	44.8	54%	0.54	25%	0.25	S	C	.	.	S	Bend	trans	-88.6	4.1	171.1	54.6	0	0	0	0	113.3	L89	T36-L89 WeakPolarHBondContact O-CD1 3.43Å
37	T	79.9	Confident	89.8	Confident	83 Å²	83	48.1 Å²	48.1	51%	0.509	27%	0.271	S	S	.	.			trans	-99.6	133.8	178.6	63.8	0	0	0	0	111.8	S35	S35-T37 VanDerWaalsContact C-N 3.32Å; S35-T37 PolarHBondContact OG-N 2.9Å; S35-T37 VanDerWaalsContact OG-N 3.16Å; S35-T37 PolarHBondContact OG-OG1 3.29Å
38	V	87.6	Confident	89.8	Confident	29 Å²	29	45.4 Å²	45.4	18%	0.176	26%	0.259	C	S	.	.			trans	-106.1	127.6	170.4	-175.3	0	0	0	0	109.1	M29 W31 L86 L89 L90	M29-V38 HydrophobicContact CB-CG1 3.68Å; M29-V38 HydrophobicContact CE-CG1 3.79Å; M29-V38 HydrophobicContact CG-CG1 4.43Å; M29-V38 HydrophobicContact SD-CG1 4.43Å; W31-V38 HydrophobicContact CB-CG2 4.46Å; V38-L86 HydrophobicContact CG2-CD1 3.57Å; V38-L89 HydrophobicContact CG2-CB 3.97Å; V38-L90 HydrophobicContact CG1-CD2 3.84Å; V38-L90 HydrophobicContact CG2-CD2 4.01Å; V38-L90 HydrophobicContact CG2-CG 4.14Å
39	T	90.4	Very high	89.9	Confident	49 Å²	49	45.7 Å²	45.7	30%	0.301	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.7	-176.4	-56.5	0	0	0	0	110.5	K30 V41	K30-T39 PolarHBondContact N-O 3.41Å; K30-T39 PolarHBondContact O-N 2.63Å; T39-V41 HydrophobicContact CG2-CG1 4.04Å; T39-V41 PolarHBondContact O-N 3.08Å
40	P	92	Very high	90	Very high	52 Å²	52	45.3 Å²	45.3	34%	0.338	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	126	167.3	-20.3	30.3	0	0	0	111	M29	M29-P40 HydrophobicContact CE-CG 4.15Å; M29-P40 HydrophobicContact SD-CB 3.91Å; M29-P40 HydrophobicContact SD-CG 3.73Å
41	V	94.3	Very high	90.2	Very high	7 Å²	7	44 Å²	44	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.6	179.8	-64.6	0	0	0	0	110.9	F28 K30 T39 W54 F120	F28-V41 HydrophobicContact CB-CG2 4.12Å; F28-V41 PolarHBondContact N-O 2.84Å; F28-V41 PolarHBondContact O-N 2.84Å; K30-V41 HydrophobicContact CB-CG1 4.25Å; K30-V41 HydrophobicContact CB-CG2 4.12Å; T39-V41 HydrophobicContact CG2-CG1 4.04Å; T39-V41 PolarHBondContact O-N 3.08Å; V41-W54 HydrophobicContact CB-CB 4.17Å; V41-W54 HydrophobicContact CB-CG 4.49Å; V41-W54 HydrophobicContact CG2-CB 4.45Å; V41-F120 HydrophobicContact CG2-CD1 4.21Å; V41-F120 HydrophobicContact CG2-CE1 4.25Å
42	T	93.3	Very high	90.5	Very high	58 Å²	58	44 Å²	44	36%	0.356	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108.3	164.3	-53.7	0	0	0	0	108.5	W54 I55	T42-W54 WeakPolarHBondContact O-CA 3.28Å; T42-I55 PolarHBondContact N-O 2.97Å; T42-I55 PolarHBondContact O-N 3.12Å
43	L	95.8	Very high	90.9	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.4	-179.5	-167.7	64.4	0	0	0	108.9	G25 S26 F28 L52 W54 L104 F120 W131	G25-L43 CarbonylContact C-O 3.58Å; G25-L43 WeakPolarHBondContact CA-O 3.23Å; S26-L43 PolarHBondContact N-O 3.36Å; S26-L43 PolarHBondContact O-N 3.45Å; F28-L43 HydrophobicContact CD2-CB 3.61Å; F28-L43 HydrophobicContact CD2-CD2 3.87Å; F28-L43 HydrophobicContact CD2-CG 4.4Å; F28-L43 HydrophobicContact CE2-CB 4.06Å; F28-L43 HydrophobicContact CE2-CD2 3.82Å; F28-L43 HydrophobicContact CG-CB 4.46Å; F28-L43 HydrophobicContact CG-CD2 4.39Å; F28-L43 HydrophobicContact CZ-CD2 4.32Å; L43-L52 HydrophobicContact CD1-CD1 3.72Å; L43-L52 HydrophobicContact CD1-CD2 4.27Å; L43-L52 HydrophobicContact CD1-CG 3.93Å; L43-L52 HydrophobicContact CD2-CD1 4.24Å; L43-L52 HydrophobicContact CG-CD1 3.82Å; L43-W54 HydrophobicContact CD1-CB 3.95Å; L43-W54 HydrophobicContact CD1-CD2 4.24Å; L43-W54 HydrophobicContact CD1-CE3 3.64Å; L43-W54 HydrophobicContact CD1-CG 4.41Å; L43-L104 HydrophobicContact CD2-CD2 4.08Å; L43-F120 HydrophobicContact CD1-CE1 4.14Å; L43-F120 HydrophobicContact CD1-CZ 4.08Å; L43-W131 VanDerWaalsContact C-CH2 3.5Å; L43-W131 HydrophobicContact CB-CH2 4.23Å; L43-W131 HydrophobicContact CB-CZ3 4.27Å; L43-W131 HydrophobicContact CD2-CE3 3.76Å; L43-W131 HydrophobicContact CD2-CH2 4.49Å; L43-W131 HydrophobicContact CD2-CZ3 3.75Å; L43-W131 HydrophobicContact CG-CE3 4.17Å; L43-W131 HydrophobicContact CG-CH2 4.06Å; L43-W131 HydrophobicContact CG-CZ3 3.62Å; L43-W131 WeakPolarHBondContact O-CH2 3.45Å; L43-W131 WeakPolarHBondContact O-CZ2 3.42Å
44	T	97.1	Very high	91.5	Very high	11 Å²	11	40.9 Å²	40.9	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.2	-171.4	-42.6	0	0	0	0	110.4	R23 Y53	R23-T44 WeakPolarHBondContact O-CG2 3.29Å; T44-Y53 HydrophobicContact CG2-CE1 3.84Å; T44-Y53 HydrophobicContact CG2-CE2 4.32Å; T44-Y53 WeakPolarHBondContact CG2-OH 3.38Å; T44-Y53 PolarHBondContact N-O 3.15Å; T44-Y53 WeakPolarHBondContact O-CD1 3.39Å; T44-Y53 PolarHBondContact O-N 3.42Å; T44-Y53 VanDerWaalsContact O-O 3.09Å
45	V	97.4	Very high	92	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.9	169.5	178.8	0	0	0	0	109.2	V18 L22 F51 L52 I66 W131 L138	V18-V45 HydrophobicContact CG1-CB 3.94Å; V18-V45 HydrophobicContact CG1-CG1 3.79Å; V18-V45 HydrophobicContact CG2-CG1 4.03Å; L22-V45 HydrophobicContact CB-CB 4.23Å; L22-V45 HydrophobicContact CB-CG2 4.32Å; L22-V45 HydrophobicContact CD2-CG2 4.1Å; L22-V45 HydrophobicContact CG-CG2 4.31Å; L22-V45 PolarHBondContact O-N 3.36Å; V45-F51 WeakPolarHBondContact CA-O 3.49Å; V45-L52 HydrophobicContact CG2-CD1 3.7Å; V45-I66 HydrophobicContact CG1-CD1 3.68Å; V45-I66 HydrophobicContact CG2-CD1 4.44Å; V45-W131 HydrophobicContact CG2-CH2 4.44Å; V45-W131 HydrophobicContact CG2-CZ3 4.04Å; V45-L138 HydrophobicContact CG1-CD1 4.12Å
46	D	95.9	Very high	92.2	Very high	5 Å²	5	36 Å²	36	3%	0.027	20%	0.203	C	C	.	.			trans	-66.5	156.1	179.7	83.2	-96	0	0	0	112.2	V18 K48 G49 Y50 F51 Y53 T158	V18-D46 WeakPolarHBondContact CG2-O 3.38Å; D46-K48 PolarHBondContact O-N 3.28Å; D46-K48 WeakPolarHBondContact OD2-CA 3.43Å; D46-K48 WeakPolarHBondContact OD2-CB 3.25Å; D46-K48 PolarHBondContact OD2-N 2.8Å; D46-G49 PolarHBondContact O-N 2.65Å; D46-G49 PolarHBondContact OD2-N 3.03Å; D46-Y50 WeakPolarHBondContact OD1-CA 3.45Å; D46-Y50 WeakPolarHBondContact OD1-CB 3.36Å; D46-Y50 PolarHBondContact OD1-N 3.23Å; D46-F51 PolarHBondContact N-O 3.41Å; D46-F51 PolarHBondContact OD1-N 3.46Å; D46-Y53 HydrophobicContact CB-CE1 4.44Å; D46-T158 HydrophobicContact CB-CG2 4.18Å
47	P	94.3	Very high	92.5	Very high	87 Å²	87	38.7 Å²	38.7	57%	0.565	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.2	-174	-26.3	36	0	0	0	116.6
48	K	93.1	Very high	92.6	Very high	93 Å²	93	40.4 Å²	40.4	40%	0.404	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-8.4	175.5	-61.5	-57.3	-167.7	81.9	0	113.4	V16 D46 Y50 E154	V16-K48 WeakPolarHBondContact CG1-O 3.4Å; D46-K48 PolarHBondContact O-N 3.28Å; D46-K48 WeakPolarHBondContact OD2-CA 3.43Å; D46-K48 WeakPolarHBondContact OD2-CB 3.25Å; D46-K48 PolarHBondContact OD2-N 2.8Å; K48-Y50 HydrophobicContact CB-CD1 4.23Å; K48-Y50 HydrophobicContact CB-CD2 3.81Å; K48-Y50 HydrophobicContact CB-CE1 3.97Å; K48-Y50 HydrophobicContact CB-CE2 3.53Å; K48-Y50 HydrophobicContact CB-CG 4.16Å; K48-Y50 HydrophobicContact CG-CE2 3.96Å; K48-E154 WeakPolarHBondContact CE-OE1 3.42Å; K48-E154 IonicContact NZ-OE1 2.75Å; K48-E154 PolarHBondContact NZ-OE1 3.1Å; K48-E154 IonicContact NZ-OE2 3.51Å; K48-E154 PolarHBondContact NZ-OE2 2.93Å
49	G	94.8	Very high	92.3	Very high	6 Å²	6	45.7 Å²	45.7	6%	0.062	24%	0.236	C	C	.	.	S	Bend	trans	73.8	32.7	178	0	0	0	0	0	114	V18 D46	V18-G49 VanDerWaalsContact CG2-CA 3.44Å; D46-G49 PolarHBondContact O-N 2.65Å; D46-G49 PolarHBondContact OD2-N 3.03Å
50	Y	95.5	Very high	92	Very high	25 Å²	25	48 Å²	48	10%	0.098	25%	0.246	C	C	.	.			trans	-87.1	-36.9	178.2	-60.9	-30.1	0	0	0	112.9	D46 K48 I66 M147 E154 K155	D46-Y50 WeakPolarHBondContact OD1-CA 3.45Å; D46-Y50 WeakPolarHBondContact OD1-CB 3.36Å; D46-Y50 PolarHBondContact OD1-N 3.23Å; K48-Y50 HydrophobicContact CB-CD1 4.23Å; K48-Y50 HydrophobicContact CB-CD2 3.81Å; K48-Y50 HydrophobicContact CB-CE1 3.97Å; K48-Y50 HydrophobicContact CB-CE2 3.53Å; K48-Y50 HydrophobicContact CB-CG 4.16Å; K48-Y50 HydrophobicContact CG-CE2 3.96Å; Y50-I66 PolarHBondContact O-N 3.05Å; Y50-I66 VanDerWaalsContact O-N 3.09Å; Y50-M147 HydrophobicContact CD1-CE 3.89Å; Y50-M147 HydrophobicContact CE1-CE 3.36Å; Y50-E154 HydrophobicContact CE2-CB 4.36Å; Y50-E154 HydrophobicContact CE2-CG 4.21Å; Y50-E154 PolarHBondContact OH-OE2 3.07Å; Y50-K155 HydrophobicContact CD1-CB 4.42Å; Y50-K155 HydrophobicContact CD1-CD 4.08Å; Y50-K155 HydrophobicContact CD1-CG 4.44Å; Y50-K155 HydrophobicContact CD2-CB 3.7Å; Y50-K155 HydrophobicContact CD2-CG 4.02Å; Y50-K155 HydrophobicContact CE2-CB 3.88Å; Y50-K155 HydrophobicContact CG-CB 3.97Å; Y50-K155 HydrophobicContact CG-CD 3.95Å; Y50-K155 HydrophobicContact CG-CG 3.88Å
51	F	97.1	Very high	91.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.4	-174.4	-56.9	-75	0	0	0	112.4	V45 D46 L63 L64 D65 K155 T158 R159 L162	V45-F51 WeakPolarHBondContact CA-O 3.49Å; D46-F51 PolarHBondContact N-O 3.41Å; D46-F51 PolarHBondContact OD1-N 3.46Å; F51-L63 HydrophobicContact CD1-CD1 3.66Å; F51-L63 HydrophobicContact CE1-CD1 3.99Å; F51-L63 HydrophobicContact CG-CD1 4.45Å; F51-L64 WeakPolarHBondContact CA-O 3.25Å; F51-D65 HydrophobicContact CD1-CB 4.14Å; F51-D65 HydrophobicContact CE1-CB 3.98Å; F51-K155 HydrophobicContact CE2-CG 3.77Å; F51-K155 WeakPolarHBondContact CE2-O 3.05Å; F51-K155 HydrophobicContact CZ-CD 4.33Å; F51-K155 HydrophobicContact CZ-CG 3.64Å; F51-T158 HydrophobicContact CD2-CG2 4.12Å; F51-T158 HydrophobicContact CE2-CG2 4.39Å; F51-R159 HydrophobicContact CE2-CB 3.83Å; F51-R159 HydrophobicContact CZ-CB 3.74Å; F51-R159 HydrophobicContact CZ-CG 4.22Å; F51-L162 HydrophobicContact CB-CD1 4.02Å; F51-L162 HydrophobicContact CD2-CD1 4.05Å; F51-L162 HydrophobicContact CG-CD1 4.31Å
52	L	97.3	Very high	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.5	157.4	178.3	73.1	0	0	0	106.6	L43 V45 W54 L63 L64 I66 V106 W131 L135	L43-L52 HydrophobicContact CD1-CD1 3.72Å; L43-L52 HydrophobicContact CD1-CD2 4.27Å; L43-L52 HydrophobicContact CD1-CG 3.93Å; L43-L52 HydrophobicContact CD2-CD1 4.24Å; L43-L52 HydrophobicContact CG-CD1 3.82Å; V45-L52 HydrophobicContact CG2-CD1 3.7Å; L52-W54 HydrophobicContact CD2-CZ3 4.44Å; L52-L63 CarbonylContact O-C 3.55Å; L52-L63 WeakPolarHBondContact O-CA 3.45Å; L52-L64 HydrophobicContact CB-CB 4.41Å; L52-L64 HydrophobicContact CD2-CD2 4.24Å; L52-L64 PolarHBondContact N-O 3.05Å; L52-L64 PolarHBondContact O-N 3.08Å; L52-I66 HydrophobicContact CB-CD1 4.48Å; L52-I66 HydrophobicContact CB-CG1 4.16Å; L52-V106 HydrophobicContact CD2-CG2 4.44Å; L52-W131 HydrophobicContact CD1-CE3 4.47Å; L52-W131 HydrophobicContact CD1-CZ3 3.76Å; L52-L135 HydrophobicContact CB-CD1 4.4Å; L52-L135 HydrophobicContact CD1-CD1 4.17Å; L52-L135 HydrophobicContact CD1-CD2 4.44Å; L52-L135 HydrophobicContact CD2-CD1 4.44Å; L52-L135 HydrophobicContact CD2-CD2 3.94Å
53	Y	96.1	Very high	91.8	Very high	44 Å²	44	49.9 Å²	49.9	17%	0.173	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.5	179.4	70.6	-84.6	0	0	0	111.3	T44 D46 T61 D62 L162	T44-Y53 HydrophobicContact CG2-CE1 3.84Å; T44-Y53 HydrophobicContact CG2-CE2 4.32Å; T44-Y53 WeakPolarHBondContact CG2-OH 3.38Å; T44-Y53 PolarHBondContact N-O 3.15Å; T44-Y53 WeakPolarHBondContact O-CD1 3.39Å; T44-Y53 PolarHBondContact O-N 3.42Å; T44-Y53 VanDerWaalsContact O-O 3.09Å; D46-Y53 HydrophobicContact CB-CE1 4.44Å; Y53-T61 HydrophobicContact CD2-CG2 4.08Å; Y53-D62 VanDerWaalsContact CA-O 3.29Å; Y53-D62 WeakPolarHBondContact CA-O 3.47Å; Y53-D62 VanDerWaalsContact CB-O 3.27Å; Y53-D62 WeakPolarHBondContact CB-O 3.32Å; Y53-L162 HydrophobicContact CD1-CD1 4.01Å; Y53-L162 HydrophobicContact CD1-CD2 4.03Å; Y53-L162 HydrophobicContact CD2-CD2 4.18Å; Y53-L162 HydrophobicContact CE1-CD1 4.36Å; Y53-L162 HydrophobicContact CE1-CD2 3.77Å; Y53-L162 HydrophobicContact CE2-CD2 3.95Å; Y53-L162 HydrophobicContact CG-CD1 4.41Å; Y53-L162 HydrophobicContact CG-CD2 4.22Å
54	W	94.3	Very high	91.8	Very high	12 Å²	12	50.6 Å²	50.6	5%	0.045	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.1	175	58	87.9	0	0	0	111.4	V41 T42 L43 L52 T61 D62 L64 M118 F120	V41-W54 HydrophobicContact CB-CB 4.17Å; V41-W54 HydrophobicContact CB-CG 4.49Å; V41-W54 HydrophobicContact CG2-CB 4.45Å; T42-W54 WeakPolarHBondContact O-CA 3.28Å; L43-W54 HydrophobicContact CD1-CB 3.95Å; L43-W54 HydrophobicContact CD1-CD2 4.24Å; L43-W54 HydrophobicContact CD1-CE3 3.64Å; L43-W54 HydrophobicContact CD1-CG 4.41Å; L52-W54 HydrophobicContact CD2-CZ3 4.44Å; W54-T61 WeakPolarHBondContact O-CA 3.48Å; W54-D62 HydrophobicContact CD2-CB 3.94Å; W54-D62 HydrophobicContact CG-CB 4.33Å; W54-D62 HydrophobicContact CH2-CB 4.12Å; W54-D62 HydrophobicContact CZ2-CB 3.4Å; W54-D62 PolarHBondContact N-O 3.24Å; W54-D62 VanDerWaalsContact N-O 3.09Å; W54-D62 VanDerWaalsContact NE1-CB 3.31Å; W54-D62 PolarHBondContact NE1-OD2 2.93Å; W54-D62 PolarHBondContact O-N 3.25Å; W54-D62 VanDerWaalsContact O-N 3.09Å; W54-L64 HydrophobicContact CZ3-CB 4.32Å; W54-M118 HydrophobicContact CH2-CE 4.15Å; W54-M118 HydrophobicContact CH2-SD 3.5Å; W54-M118 VanDerWaalsContact CH2-SD 3.5Å; W54-M118 HydrophobicContact CZ2-SD 4.36Å; W54-M118 HydrophobicContact CZ3-SD 4.12Å; W54-F120 HydrophobicContact CD2-CE1 4.43Å; W54-F120 HydrophobicContact CD2-CZ 4.36Å; W54-F120 HydrophobicContact CE3-CZ 4.16Å; W54-F120 HydrophobicContact CZ3-CZ 4.28Å
55	I	88.5	Confident	91.7	Very high	71 Å²	71	50.6 Å²	50.6	36%	0.364	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.5	176.6	-52.1	180	0	0	0	107.9	T42 K59 D60 T61	T42-I55 PolarHBondContact N-O 2.97Å; T42-I55 PolarHBondContact O-N 3.12Å; I55-K59 HydrophobicContact CG2-CB 4.48Å; I55-D60 WeakPolarHBondContact CA-O 3.35Å; I55-T61 HydrophobicContact CG1-CG2 4.29Å
56	D	84.7	Confident	91.5	Very high	37 Å²	37	50.8 Å²	50.8	20%	0.198	26%	0.257	C	S	.	.			trans	-91.1	-170.9	179.9	94.9	-38.4	0	0	0	112.6	N58 K59 D60	D56-N58 VanDerWaalsContact CG-N 3.29Å; D56-N58 WeakPolarHBondContact OD1-CA 3.34Å; D56-N58 WeakPolarHBondContact OD1-CB 3.44Å; D56-N58 PolarHBondContact OD1-N 2.89Å; D56-N58 PolarHBondContact OD2-N 3.24Å; D56-N58 PolarHBondContact OD2-ND2 3.21Å; D56-K59 PolarHBondContact O-N 3.18Å; D56-K59 PolarHBondContact OD1-N 3.06Å; D56-D60 PolarHBondContact N-O 3.14Å; D56-D60 VanDerWaalsContact N-O 3.16Å; D56-D60 PolarHBondContact OD1-N 2.91Å
57	Q	82.4	Confident	91.3	Very high	144 Å²	144	51.6 Å²	51.6	67%	0.673	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-23.9	177.7	-62.2	-169.6	6.5	0	0	114	K59	Q57-K59 VanDerWaalsContact C-N 3.27Å
58	N	82.8	Confident	91.2	Very high	118 Å²	118	50.8 Å²	50.8	63%	0.631	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.8	176.5	-57.5	-70.3	0	0	0	112.6	D56 D60	D56-N58 VanDerWaalsContact CG-N 3.29Å; D56-N58 WeakPolarHBondContact OD1-CA 3.34Å; D56-N58 WeakPolarHBondContact OD1-CB 3.44Å; D56-N58 PolarHBondContact OD1-N 2.89Å; D56-N58 PolarHBondContact OD2-N 3.24Å; D56-N58 PolarHBondContact OD2-ND2 3.21Å; N58-D60 VanDerWaalsContact C-N 3.29Å
59	K	80.7	Confident	91.3	Very high	140 Å²	140	46.8 Å²	46.8	61%	0.609	23%	0.231	S	C	*	.			trans	71.8	14.6	-168.1	-48.9	179.2	-177.9	177.3	0	114.5	I55 D56 Q57	I55-K59 HydrophobicContact CG2-CB 4.48Å; D56-K59 PolarHBondContact O-N 3.18Å; D56-K59 PolarHBondContact OD1-N 3.06Å; Q57-K59 VanDerWaalsContact C-N 3.27Å
60	D	83.9	Confident	91.2	Very high	97 Å²	97	48.4 Å²	48.4	52%	0.519	24%	0.236	S	C	.	.			trans	-69.2	140.9	168.2	-78.6	-45.9	0	0	0	109.1	I55 D56 N58	I55-D60 WeakPolarHBondContact CA-O 3.35Å; D56-D60 PolarHBondContact N-O 3.14Å; D56-D60 VanDerWaalsContact N-O 3.16Å; D56-D60 PolarHBondContact OD1-N 2.91Å; N58-D60 VanDerWaalsContact C-N 3.29Å
61	T	90	Very high	91.2	Very high	33 Å²	33	47.2 Å²	47.2	20%	0.202	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.4	-175.2	-55.7	0	0	0	0	110.2	Y53 W54 I55	Y53-T61 HydrophobicContact CD2-CG2 4.08Å; W54-T61 WeakPolarHBondContact O-CA 3.48Å; I55-T61 HydrophobicContact CG1-CG2 4.29Å
62	D	92.2	Very high	91.2	Very high	89 Å²	89	47.7 Å²	47.7	48%	0.476	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	151.7	168.9	-78.5	-42.3	0	0	0	110.4	Y53 W54	Y53-D62 VanDerWaalsContact CA-O 3.29Å; Y53-D62 WeakPolarHBondContact CA-O 3.47Å; Y53-D62 VanDerWaalsContact CB-O 3.27Å; Y53-D62 WeakPolarHBondContact CB-O 3.32Å; W54-D62 HydrophobicContact CD2-CB 3.94Å; W54-D62 HydrophobicContact CG-CB 4.33Å; W54-D62 HydrophobicContact CH2-CB 4.12Å; W54-D62 HydrophobicContact CZ2-CB 3.4Å; W54-D62 PolarHBondContact N-O 3.24Å; W54-D62 VanDerWaalsContact N-O 3.09Å; W54-D62 VanDerWaalsContact NE1-CB 3.31Å; W54-D62 PolarHBondContact NE1-OD2 2.93Å; W54-D62 PolarHBondContact O-N 3.25Å; W54-D62 VanDerWaalsContact O-N 3.09Å
63	L	94.3	Very high	91.1	Very high	35 Å²	35	48.2 Å²	48.2	18%	0.183	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.1	172.7	70.3	94.8	0	0	0	112.7	F51 L52 R159 Q163	F51-L63 HydrophobicContact CD1-CD1 3.66Å; F51-L63 HydrophobicContact CE1-CD1 3.99Å; F51-L63 HydrophobicContact CG-CD1 4.45Å; L52-L63 CarbonylContact O-C 3.55Å; L52-L63 WeakPolarHBondContact O-CA 3.45Å; L63-R159 HydrophobicContact CD2-CG 4.24Å; L63-Q163 HydrophobicContact CD2-CG 3.29Å
64	L	95.3	Very high	90.9	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127	171.4	176.2	62.5	0	0	0	108.9	F51 L52 W54 I66 I69 V106 M118	F51-L64 WeakPolarHBondContact CA-O 3.25Å; L52-L64 HydrophobicContact CB-CB 4.41Å; L52-L64 HydrophobicContact CD2-CD2 4.24Å; L52-L64 PolarHBondContact N-O 3.05Å; L52-L64 PolarHBondContact O-N 3.08Å; W54-L64 HydrophobicContact CZ3-CB 4.32Å; L64-I66 PolarHBondContact O-N 2.95Å; L64-I69 HydrophobicContact CD2-CD1 4.02Å; L64-I69 HydrophobicContact CD2-CG1 3.67Å; L64-I69 HydrophobicContact CG-CG1 4.22Å; L64-V106 HydrophobicContact CD2-CG1 4.04Å; L64-M118 HydrophobicContact CD1-CE 4.3Å; L64-M118 HydrophobicContact CD2-CE 4.3Å; L64-M118 HydrophobicContact CD2-SD 3.94Å
65	D	94.4	Very high	90.6	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.064	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	123	170.6	-171.3	-46.2	0	0	0	109.4	F51 T67 Y68 K155	F51-D65 HydrophobicContact CD1-CB 4.14Å; F51-D65 HydrophobicContact CE1-CB 3.98Å; D65-T67 PolarHBondContact O-N 3.4Å; D65-T67 VanDerWaalsContact O-N 3.12Å; D65-T67 WeakPolarHBondContact OD1-CB 3.45Å; D65-T67 PolarHBondContact OD1-N 2.98Å; D65-T67 PolarHBondContact OD1-OG1 3.43Å; D65-Y68 HydrophobicContact CB-CD2 3.65Å; D65-Y68 HydrophobicContact CB-CE2 3.94Å; D65-Y68 PolarHBondContact O-N 2.83Å; D65-K155 IonicContact OD1-NZ 2.68Å; D65-K155 PolarHBondContact OD1-NZ 3.37Å; D65-K155 WeakPolarHBondContact OD2-CE 3.22Å; D65-K155 IonicContact OD2-NZ 3.64Å; D65-K155 PolarHBondContact OD2-NZ 2.85Å
66	I	95.1	Very high	90.4	Very high	3 Å²	3	53 Å²	53	2%	0.015	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.9	-23.9	-174.7	-75	172	0	0	0	111.8	V45 Y50 L52 L64 Y68 I69 L135 L138 A139	V45-I66 HydrophobicContact CG1-CD1 3.68Å; V45-I66 HydrophobicContact CG2-CD1 4.44Å; Y50-I66 PolarHBondContact O-N 3.05Å; Y50-I66 VanDerWaalsContact O-N 3.09Å; L52-I66 HydrophobicContact CB-CD1 4.48Å; L52-I66 HydrophobicContact CB-CG1 4.16Å; L64-I66 PolarHBondContact O-N 2.95Å; I66-Y68 PolarHBondContact O-N 3.45Å; I66-I69 HydrophobicContact CB-CD1 4.4Å; I66-I69 HydrophobicContact CG1-CD1 4.07Å; I66-I69 WeakPolarHBondContact O-CB 3.33Å; I66-I69 PolarHBondContact O-N 2.88Å; I66-I69 VanDerWaalsContact O-N 3.14Å; I66-L135 HydrophobicContact CD1-CD1 4.24Å; I66-L135 HydrophobicContact CG1-CD1 4.23Å; I66-L138 HydrophobicContact CG2-CB 4.04Å; I66-A139 HydrophobicContact CG2-CB 4.08Å
67	T	90.6	Very high	90.3	Very high	22 Å²	22	53.4 Å²	53.4	14%	0.135	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-75.6	-6.8	176.3	67	0	0	0	0	114.6	D65 Q813	D65-T67 PolarHBondContact O-N 3.4Å; D65-T67 VanDerWaalsContact O-N 3.12Å; D65-T67 WeakPolarHBondContact OD1-CB 3.45Å; D65-T67 PolarHBondContact OD1-N 2.98Å; D65-T67 PolarHBondContact OD1-OG1 3.43Å; T67-Q813 PolarHBondContact O-NE2 3.4Å
68	Y	91.8	Very high	90.5	Very high	70 Å²	70	47.2 Å²	47.2	28%	0.275	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-96.5	-6.2	167.9	-61.8	-47	0	0	0	113.5	D65 I66 S108 G109	D65-Y68 HydrophobicContact CB-CD2 3.65Å; D65-Y68 HydrophobicContact CB-CE2 3.94Å; D65-Y68 PolarHBondContact O-N 2.83Å; I66-Y68 PolarHBondContact O-N 3.45Å; Y68-S108 CarbonylContact O-C 3.55Å; Y68-S108 VanDerWaalsContact O-CA 3.26Å; Y68-S108 WeakPolarHBondContact O-CA 3.28Å; Y68-G109 PolarHBondContact O-N 3.33Å
69	I	95.1	Very high	90.5	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	135.2	171.3	-61.1	174.4	0	0	0	108.7	L64 I66 V106 L135 A139	L64-I69 HydrophobicContact CD2-CD1 4.02Å; L64-I69 HydrophobicContact CD2-CG1 3.67Å; L64-I69 HydrophobicContact CG-CG1 4.22Å; I66-I69 HydrophobicContact CB-CD1 4.4Å; I66-I69 HydrophobicContact CG1-CD1 4.07Å; I66-I69 WeakPolarHBondContact O-CB 3.33Å; I66-I69 PolarHBondContact O-N 2.88Å; I66-I69 VanDerWaalsContact O-N 3.14Å; I69-V106 HydrophobicContact CD1-CG1 4.02Å; I69-V106 HydrophobicContact CG1-CG1 3.99Å; I69-V106 HydrophobicContact CG2-CG1 4.11Å; I69-L135 HydrophobicContact CD1-CD1 3.6Å; I69-L135 HydrophobicContact CD1-CD2 3.98Å; I69-L135 HydrophobicContact CD1-CG 3.76Å; I69-A139 HydrophobicContact CB-CB 3.79Å; I69-A139 HydrophobicContact CG2-CB 3.9Å
70	K	93.5	Very high	90.5	Very high	39 Å²	39	41.5 Å²	41.5	17%	0.17	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-37.8	178.7	-54.2	-63.1	-172.7	-174.7	0	111.8	V107 G109 T110 D111	K70-V107 PolarHBondContact N-O 2.79Å; K70-G109 WeakPolarHBondContact CE-O 3.45Å; K70-G109 PolarHBondContact NZ-O 2.87Å; K70-T110 PolarHBondContact NZ-O 2.97Å; K70-D111 VanDerWaalsContact CE-O 3.27Å; K70-D111 WeakPolarHBondContact CE-O 3.46Å
71	D	95.6	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	151.3	-177.1	-158.1	-5.9	0	0	0	109.3	R73 V107 L356 K403	D71-R73 IonicContact OD2-CZ 3.52Å; D71-R73 VanDerWaalsContact OD2-CZ 3.24Å; D71-R73 IonicContact OD2-NE 3.83Å; D71-R73 PolarHBondContact OD2-NE 3.33Å; D71-R73 IonicContact OD2-NH2 2.71Å; D71-R73 PolarHBondContact OD2-NH2 3.27Å; D71-V107 HydrophobicContact CB-CB 4.05Å; D71-V107 HydrophobicContact CB-CG2 4.19Å; D71-V107 PolarHBondContact N-O 2.98Å; D71-V107 PolarHBondContact O-N 3.06Å; D71-L356 HydrophobicContact CB-CD1 3.76Å; D71-K403 IonicContact OD1-NZ 2.72Å; D71-K403 PolarHBondContact OD1-NZ 2.76Å; D71-K403 IonicContact OD2-NZ 2.73Å; D71-K403 PolarHBondContact OD2-NZ 2.76Å
72	A	96.1	Very high	90.3	Very high	10 Å²	10	43.8 Å²	43.8	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	122.7	169.5	0	0	0	0	0	108.1	L135 F136	A72-L135 HydrophobicContact CB-CB 4.42Å; A72-L135 HydrophobicContact CB-CD2 4.42Å; A72-F136 HydrophobicContact CB-CB 4.28Å
73	R	94.9	Very high	89.9	Confident	12 Å²	12	42.7 Å²	42.7	5%	0.045	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.8	-166.6	-55.2	-174.3	-178.4	155.2	4.6	110.9	D71 C77 T78 L104 T105 E349 E399	D71-R73 IonicContact OD2-CZ 3.52Å; D71-R73 VanDerWaalsContact OD2-CZ 3.24Å; D71-R73 IonicContact OD2-NE 3.83Å; D71-R73 PolarHBondContact OD2-NE 3.33Å; D71-R73 IonicContact OD2-NH2 2.71Å; D71-R73 PolarHBondContact OD2-NH2 3.27Å; R73-C77 HydrophobicContact CB-CB 4.1Å; R73-C77 WeakPolarHBondContact CD-O 3.28Å; R73-C77 HydrophobicContact CG-CB 4.46Å; R73-T78 HydrophobicContact CB-CG2 4.29Å; R73-T78 WeakPolarHBondContact O-CG2 3.27Å; R73-L104 WeakPolarHBondContact O-CA 3.3Å; R73-T105 PolarHBondContact N-O 3.36Å; R73-T105 PolarHBondContact O-N 2.89Å; R73-E349 IonicContact CZ-OE1 3.66Å; R73-E349 IonicContact CZ-OE2 3.1Å; R73-E349 IonicContact NH1-OE1 2.67Å; R73-E349 IonicContact NH1-OE2 2.63Å; R73-E349 PolarHBondContact NH1-OE2 3.47Å; R73-E349 IonicContact NH2-OE1 2.74Å; R73-E349 PolarHBondContact NH2-OE1 3.06Å; R73-E349 IonicContact NH2-OE2 3.2Å; R73-E349 PolarHBondContact NH2-OE2 3.37Å; R73-E349 VanDerWaalsContact NH2-OE2 3.15Å; R73-E399 IonicContact NE-OE1 2.67Å
74	N	93.3	Very high	89.4	Confident	41 Å²	41	44.1 Å²	44.1	22%	0.219	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	161.8	172.6	173.3	-108.4	0	0	0	110.2	N101 M103 A128 A132	N74-N101 PolarHBondContact ND2-O 2.93Å; N74-M103 PolarHBondContact ND2-O 3.4Å; N74-A128 WeakPolarHBondContact ND2-CB 3.49Å; N74-A132 HydrophobicContact CB-CB 3.77Å
75	G	88.3	Confident	88.8	Confident	7 Å²	7	49.9 Å²	49.9	7%	0.072	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	63.6	-143.7	178	0	0	0	0	0	113	C77 T78 E100	G75-C77 PolarHBondContact O-N 3.5Å; G75-T78 WeakPolarHBondContact O-CB 3.39Å; G75-T78 WeakPolarHBondContact O-CG2 3.49Å; G75-T78 PolarHBondContact O-N 3.02Å; G75-T78 PolarHBondContact O-OG1 3.35Å; G75-E100 WeakPolarHBondContact CA-O 3.36Å; G75-E100 PolarHBondContact N-O 3.05Å
76	K	83.5	Confident	88.4	Confident	178 Å²	178	49.4 Å²	49.4	77%	0.774	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-54.1	-21.7	-179.3	-62	-177.9	-178.5	178.6	0	115	T78	K76-T78 VanDerWaalsContact C-N 3.29Å
77	C	82.3	Confident	87.8	Confident	47 Å²	47	54.3 Å²	54.3	32%	0.318	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-81.8	-8.6	-177.4	-49.6	0	0	0	0	112.7	R73 G75 E399	R73-C77 HydrophobicContact CB-CB 4.1Å; R73-C77 WeakPolarHBondContact CD-O 3.28Å; R73-C77 HydrophobicContact CG-CB 4.46Å; G75-C77 PolarHBondContact O-N 3.5Å; C77-E399 HydrophobicContact CB-CG 4.47Å; C77-E399 WeakPolarHBondContact CB-OE2 3.4Å; C77-E399 VanDerWaalsContact SG-CD 3.53Å; C77-E399 PolarHBondContact SG-OE2 2.83Å; C77-E399 VanDerWaalsContact SG-OE2 3.37Å
78	T	86.4	Confident	87.4	Confident	13 Å²	13	60.7 Å²	60.7	8%	0.08	30%	0.296	C	S	.	.	S	Bend	trans	-77.1	161.3	-180	60.1	0	0	0	0	112.9	R73 G75 K76 T80 M103	R73-T78 HydrophobicContact CB-CG2 4.29Å; R73-T78 WeakPolarHBondContact O-CG2 3.27Å; G75-T78 WeakPolarHBondContact O-CB 3.39Å; G75-T78 WeakPolarHBondContact O-CG2 3.49Å; G75-T78 PolarHBondContact O-N 3.02Å; G75-T78 PolarHBondContact O-OG1 3.35Å; K76-T78 VanDerWaalsContact C-N 3.29Å; T78-T80 PolarHBondContact O-N 3.33Å; T78-M103 HydrophobicContact CG2-CB 3.56Å; T78-M103 WeakPolarHBondContact OG1-CB 3.3Å
79	K	84.3	Confident	86.9	Confident	62 Å²	62	61.7 Å²	61.7	27%	0.27	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-69.5	126	163.8	-85.4	-171.8	165.3	-170	0	109.3	W31 D33 T105 Y117	W31-K79 HydrophobicContact CH2-CB 4.2Å; W31-K79 WeakPolarHBondContact CZ2-O 3.14Å; D33-K79 WeakPolarHBondContact OD2-CD 3.29Å; D33-K79 IonicContact OD2-NZ 3.21Å; D33-K79 PolarHBondContact OD2-NZ 3.13Å; K79-T105 PolarHBondContact N-OG1 2.92Å; K79-Y117 HydrophobicContact CD-CD1 3.86Å; K79-Y117 HydrophobicContact CD-CE1 4.46Å; K79-Y117 HydrophobicContact CD-CG 3.9Å; K79-Y117 VanDerWaalsContact CE-CG 3.47Å; K79-Y117 HydrophobicContact CG-CD1 4.22Å
80	T	80.7	Confident	86.2	Confident	76 Å²	76	61.2 Å²	61.2	47%	0.466	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-87	138.8	167.9	50.4	0	0	0	0	110.4	T78 K82 E100	T78-T80 PolarHBondContact O-N 3.33Å; T80-K82 PolarHBondContact O-N 3.32Å; T80-E100 HydrophobicContact CG2-CG 4.37Å
81	P	84.5	Confident	85.3	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.019	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65.9	123.3	179.8	26.8	-34.9	0	0	0	109.8	W31 L86 R87 L90	W31-P81 HydrophobicContact CE3-CB 4.37Å; W31-P81 HydrophobicContact CH2-CB 3.95Å; W31-P81 HydrophobicContact CZ2-CB 4.3Å; W31-P81 HydrophobicContact CZ3-CB 4Å; P81-L86 HydrophobicContact CB-CD2 3.94Å; P81-L86 HydrophobicContact CB-CG 4.05Å; P81-R87 HydrophobicContact CG-CB 4.23Å; P81-R87 HydrophobicContact CG-CG 4.25Å; P81-R87 PolarHBondContact O-NE 3.21Å; P81-R87 PolarHBondContact O-NH2 3.44Å; P81-L90 HydrophobicContact CB-CD1 4.12Å; P81-L90 HydrophobicContact CG-CD1 3.91Å
82	K	84.4	Confident	84	Confident	175 Å²	175	66.2 Å²	66.2	76%	0.761	33%	0.334	S	S	*	.			trans	-74.9	-42.2	-176.1	-67.4	-176.7	179.7	-179.6	0	112.9	T80 R87	T80-K82 PolarHBondContact O-N 3.32Å; K82-R87 PolarHBondContact O-NH2 3.2Å
83	D	84.8	Confident	82	Confident	66 Å²	66	71.5 Å²	71.5	35%	0.353	37%	0.371	S	S	.	.	S	Bend	trans	-66.7	144.5	177.7	176.8	-108	0	0	0	112.4	K85 L86 R87	D83-K85 WeakPolarHBondContact OD1-CA 3.34Å; D83-K85 VanDerWaalsContact OD1-CB 3.32Å; D83-K85 WeakPolarHBondContact OD1-CB 3.35Å; D83-K85 PolarHBondContact OD1-N 2.96Å; D83-L86 HydrophobicContact CB-CB 4.05Å; D83-L86 PolarHBondContact OD1-N 2.98Å; D83-R87 WeakPolarHBondContact O-CB 3.36Å; D83-R87 PolarHBondContact O-N 2.72Å; D83-R87 VanDerWaalsContact O-N 3.17Å
84	A	82.8	Confident	80.3	Confident	65 Å²	65	76.4 Å²	76.4	54%	0.537	40%	0.402	S	S	.	.	H	α-helix	trans	-75.1	-37.8	-176.8	0	0	0	0	0	113	R87 E88	A84-R87 PolarHBondContact O-N 2.68Å; A84-E88 PolarHBondContact O-N 2.95Å
85	K	83.7	Confident	79	Confident	137 Å²	137	76.5 Å²	76.5	60%	0.596	40%	0.402	S	S	*	.	H	α-helix	trans	-72.5	-39.1	179.4	-57.3	175	179.8	174.6	0	110.7	D83 R87 E88 L89	D83-K85 WeakPolarHBondContact OD1-CA 3.34Å; D83-K85 VanDerWaalsContact OD1-CB 3.32Å; D83-K85 WeakPolarHBondContact OD1-CB 3.35Å; D83-K85 PolarHBondContact OD1-N 2.96Å; K85-R87 VanDerWaalsContact C-N 3.28Å; K85-R87 PolarHBondContact O-N 2.86Å; K85-E88 PolarHBondContact O-N 3.29Å; K85-L89 WeakPolarHBondContact O-CB 3.46Å; K85-L89 WeakPolarHBondContact O-CG 3.4Å; K85-L89 PolarHBondContact O-N 2.96Å
86	L	84.4	Confident	77.9	Confident	1 Å²	1	81.7 Å²	81.7	1%	0.005	43%	0.434	C	S	.	.	H	α-helix	trans	-62	-38.7	173.5	-172.7	61.7	0	0	0	111.3	W31 V38 P81 D83 L89 L90	W31-L86 HydrophobicContact CB-CD1 4.16Å; W31-L86 HydrophobicContact CD2-CD2 4.37Å; W31-L86 HydrophobicContact CE3-CD2 3.67Å; W31-L86 HydrophobicContact CZ3-CD2 4.21Å; V38-L86 HydrophobicContact CG2-CD1 3.57Å; P81-L86 HydrophobicContact CB-CD2 3.94Å; P81-L86 HydrophobicContact CB-CG 4.05Å; D83-L86 HydrophobicContact CB-CB 4.05Å; D83-L86 PolarHBondContact OD1-N 2.98Å; L86-L89 PolarHBondContact O-N 2.65Å; L86-L90 HydrophobicContact CD1-CD1 4.38Å; L86-L90 HydrophobicContact CG-CD1 4.14Å; L86-L90 WeakPolarHBondContact O-CD1 3.43Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.47Å; L86-L90 PolarHBondContact O-N 3.42Å; L86-L90 VanDerWaalsContact O-N 3.16Å
87	R	83.1	Confident	77.4	Confident	107 Å²	107	76.1 Å²	76.1	40%	0.404	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-43.8	172.9	-162.9	178.7	-54.7	127.8	12.7	112.1	P81 K82 D83 A84 K85 L89 L90 D91 L99	P81-R87 HydrophobicContact CG-CB 4.23Å; P81-R87 HydrophobicContact CG-CG 4.25Å; P81-R87 PolarHBondContact O-NE 3.21Å; P81-R87 PolarHBondContact O-NH2 3.44Å; K82-R87 PolarHBondContact O-NH2 3.2Å; D83-R87 WeakPolarHBondContact O-CB 3.36Å; D83-R87 PolarHBondContact O-N 2.72Å; D83-R87 VanDerWaalsContact O-N 3.17Å; A84-R87 PolarHBondContact O-N 2.68Å; K85-R87 VanDerWaalsContact C-N 3.28Å; K85-R87 PolarHBondContact O-N 2.86Å; R87-L89 VanDerWaalsContact C-N 3.33Å; R87-L89 PolarHBondContact O-N 3.33Å; R87-L90 PolarHBondContact O-N 2.89Å; R87-L90 VanDerWaalsContact O-N 3.16Å; R87-D91 VanDerWaalsContact O-CB 3.31Å; R87-D91 WeakPolarHBondContact O-CB 3.47Å; R87-D91 PolarHBondContact O-N 3.19Å; R87-L99 HydrophobicContact CG-CD2 4.41Å
88	E	81.6	Confident	77.2	Confident	155 Å²	155	79.6 Å²	79.6	72%	0.724	44%	0.437	S	S	*	.	H	α-helix	trans	-61.2	-37.5	174.9	-173.1	178.8	-170.6	0	0	112.6	A84 K85 L90	A84-E88 PolarHBondContact O-N 2.95Å; K85-E88 PolarHBondContact O-N 3.29Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 3.05Å
89	L	81.5	Confident	77.1	Confident	91 Å²	91	80.3 Å²	80.3	48%	0.476	44%	0.441	S	S	.	.	H	α-helix	trans	-69.4	-24.7	174.7	-76.3	163.7	0	0	0	113.9	T36 V38 K85 L86 R87	T36-L89 WeakPolarHBondContact O-CD1 3.43Å; V38-L89 HydrophobicContact CG2-CB 3.97Å; K85-L89 WeakPolarHBondContact O-CB 3.46Å; K85-L89 WeakPolarHBondContact O-CG 3.4Å; K85-L89 PolarHBondContact O-N 2.96Å; L86-L89 PolarHBondContact O-N 2.65Å; R87-L89 VanDerWaalsContact C-N 3.33Å; R87-L89 PolarHBondContact O-N 3.33Å
90	L	81.8	Confident	77.1	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	44%	0.442	C	S	.	.	H	α-helix	trans	-96.5	-27.7	179.3	-68.9	167.7	0	0	0	112.5	M29 W31 V38 P81 L86 R87 E88 V92 L99 M121	M29-L90 HydrophobicContact CB-CD2 4.35Å; W31-L90 HydrophobicContact CB-CD1 4.47Å; W31-L90 HydrophobicContact CD2-CD1 4.11Å; W31-L90 HydrophobicContact CG-CD1 3.87Å; W31-L90 HydrophobicContact CG-CD2 4.5Å; V38-L90 HydrophobicContact CG1-CD2 3.84Å; V38-L90 HydrophobicContact CG2-CD2 4.01Å; V38-L90 HydrophobicContact CG2-CG 4.14Å; P81-L90 HydrophobicContact CB-CD1 4.12Å; P81-L90 HydrophobicContact CG-CD1 3.91Å; L86-L90 HydrophobicContact CD1-CD1 4.38Å; L86-L90 HydrophobicContact CG-CD1 4.14Å; L86-L90 WeakPolarHBondContact O-CD1 3.43Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.47Å; L86-L90 PolarHBondContact O-N 3.42Å; L86-L90 VanDerWaalsContact O-N 3.16Å; R87-L90 PolarHBondContact O-N 2.89Å; R87-L90 VanDerWaalsContact O-N 3.16Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 3.05Å; L90-V92 PolarHBondContact O-N 3.1Å; L90-L99 HydrophobicContact CB-CD1 4.35Å; L90-L99 HydrophobicContact CB-CD2 4.34Å; L90-L99 WeakPolarHBondContact O-CD1 3.35Å; L90-M121 HydrophobicContact CB-CE 4.06Å; L90-M121 HydrophobicContact CD2-CB 4.26Å; L90-M121 HydrophobicContact CD2-CE 3.6Å; L90-M121 HydrophobicContact CG-CE 4.46Å; L90-M121 WeakPolarHBondContact O-CE 3.42Å
91	D	73.9	Confident	77.5	Confident	89 Å²	89	79.3 Å²	79.3	48%	0.476	43%	0.433	S	S	.	.			trans	-83	64.8	179	-160.1	19.5	0	0	0	111.6	R87 S93 L99	R87-D91 VanDerWaalsContact O-CB 3.31Å; R87-D91 WeakPolarHBondContact O-CB 3.47Å; R87-D91 PolarHBondContact O-N 3.19Å; D91-S93 PolarHBondContact O-N 3.32Å; D91-L99 HydrophobicContact CB-CD2 4.38Å
92	V	67.2	Low	77.7	Confident	56 Å²	56	79.3 Å²	79.3	34%	0.339	43%	0.433	S	S	.	.			trans	-64.1	102.9	178.5	-174.6	0	0	0	0	109.1	L90 T94 L95	L90-V92 PolarHBondContact O-N 3.1Å; V92-T94 PolarHBondContact O-N 2.61Å; V92-L95 HydrophobicContact CB-CD1 4.07Å; V92-L95 HydrophobicContact CB-CG 4.25Å; V92-L95 HydrophobicContact CG1-CG 4.4Å; V92-L95 PolarHBondContact O-N 2.92Å
93	S	54.8	Low	78.1	Confident	121 Å²	121	71 Å²	71	85%	0.846	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	2.2	-168	58.5	0	0	0	0	117	D91	D91-S93 PolarHBondContact O-N 3.32Å
94	T	59.7	Low	78.6	Confident	115 Å²	115	67.9 Å²	67.9	71%	0.706	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-8.5	173.6	55.5	0	0	0	0	113.9	V92	V92-T94 PolarHBondContact O-N 2.61Å
95	L	66.3	Low	79.2	Confident	43 Å²	43	64.9 Å²	64.9	23%	0.225	36%	0.355	C	S	.	.	S	Bend	trans	-94.2	115.7	-177.6	-63.2	-180	0	0	0	111.5	V92 R102 F123	V92-L95 HydrophobicContact CB-CD1 4.07Å; V92-L95 HydrophobicContact CB-CG 4.25Å; V92-L95 HydrophobicContact CG1-CG 4.4Å; V92-L95 PolarHBondContact O-N 2.92Å; L95-R102 PolarHBondContact O-NH1 2.99Å; L95-F123 HydrophobicContact CD1-CD1 4.43Å
96	P	65.4	Low	79.9	Confident	115 Å²	115	58.4 Å²	58.4	75%	0.747	33%	0.327	S	S	*	.			trans	-67.4	161.9	178	30.7	-36.1	0	0	0	112	R102	P96-R102 PolarHBondContact O-NH1 3.46Å
97	G	71.3	Confident	80.4	Confident	61 Å²	61	58.3 Å²	58.3	63%	0.629	33%	0.326	S	S	*	.	S	Bend	trans	95.2	-166.4	179	0	0	0	0	0	113.9	E125	G97-E125 WeakPolarHBondContact CA-OE1 3.4Å
98	K	79.7	Confident	80.9	Confident	121 Å²	121	53.5 Å²	53.5	53%	0.526	31%	0.309	S	S	.	.			trans	-100.1	136.1	178.5	-80.9	-168.9	169.2	-161.9	0	110.3	E100 N101 E125	K98-E100 PolarHBondContact O-N 3.44Å; K98-N101 WeakPolarHBondContact O-CB 3.46Å; K98-N101 PolarHBondContact O-N 3.41Å; K98-E125 PolarHBondContact N-OE1 3.22Å
99	L	82.8	Confident	81.2	Confident	28 Å²	28	46.5 Å²	46.5	15%	0.147	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-52	-45.3	176.3	-176.7	61.4	0	0	0	111.8	R87 L90 D91 N101 R102 M103 M121	R87-L99 HydrophobicContact CG-CD2 4.41Å; L90-L99 HydrophobicContact CB-CD1 4.35Å; L90-L99 HydrophobicContact CB-CD2 4.34Å; L90-L99 WeakPolarHBondContact O-CD1 3.35Å; D91-L99 HydrophobicContact CB-CD2 4.38Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 3.08Å; L99-R102 WeakPolarHBondContact O-CB 3.42Å; L99-R102 PolarHBondContact O-N 2.94Å; L99-M103 HydrophobicContact CD1-SD 4.2Å; L99-M103 HydrophobicContact CG-SD 4.14Å; L99-M103 VanDerWaalsContact O-CG 3.3Å; L99-M103 WeakPolarHBondContact O-CG 3.47Å; L99-M103 PolarHBondContact O-N 3.26Å; L99-M121 HydrophobicContact CD1-CE 4.5Å; L99-M121 HydrophobicContact CD1-CG 4.07Å; L99-M121 HydrophobicContact CD1-SD 4.49Å
100	E	84.4	Confident	81.2	Confident	64 Å²	64	45.2 Å²	45.2	30%	0.299	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-47.7	-44.7	174.9	-67.2	165.8	-171.8	0	0	113.8	G75 T80 K98 R102 M103	G75-E100 WeakPolarHBondContact CA-O 3.36Å; G75-E100 PolarHBondContact N-O 3.05Å; T80-E100 HydrophobicContact CG2-CG 4.37Å; K98-E100 PolarHBondContact O-N 3.44Å; E100-R102 VanDerWaalsContact C-N 3.25Å; E100-R102 PolarHBondContact O-N 2.61Å; E100-M103 WeakPolarHBondContact O-CB 3.12Å; E100-M103 WeakPolarHBondContact O-CG 3.49Å; E100-M103 PolarHBondContact O-N 3.09Å; E100-M103 VanDerWaalsContact O-N 3.14Å
101	N	88.6	Confident	81.1	Confident	52 Å²	52	46.1 Å²	46.1	28%	0.278	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-70.5	-23.6	-177.7	-67.7	5.7	0	0	0	112.3	N74 K98 L99 M103 E125	N74-N101 PolarHBondContact ND2-O 2.93Å; K98-N101 WeakPolarHBondContact O-CB 3.46Å; K98-N101 PolarHBondContact O-N 3.41Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 3.08Å; N101-M103 VanDerWaalsContact C-N 3.34Å; N101-E125 HydrophobicContact CB-CB 4.14Å; N101-E125 HydrophobicContact CB-CG 3.62Å; N101-E125 WeakPolarHBondContact CB-OE1 3.29Å; N101-E125 VanDerWaalsContact CB-OE2 3.26Å; N101-E125 WeakPolarHBondContact CB-OE2 3.45Å; N101-E125 PolarHBondContact ND2-OE1 3.38Å; N101-E125 PolarHBondContact ND2-OE2 2.69Å
102	R	90.5	Very high	81.5	Confident	3 Å²	3	43 Å²	43	1%	0.011	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-85.4	-5.3	174.5	-60.9	-168.4	-61.5	-111.6	6.5	113	L95 P96 L99 E100 M121 A122 E125 A128	L95-R102 PolarHBondContact O-NH1 2.99Å; P96-R102 PolarHBondContact O-NH1 3.46Å; L99-R102 WeakPolarHBondContact O-CB 3.42Å; L99-R102 PolarHBondContact O-N 2.94Å; E100-R102 VanDerWaalsContact C-N 3.25Å; E100-R102 PolarHBondContact O-N 2.61Å; R102-M121 HydrophobicContact CB-CG 4.13Å; R102-M121 CarbonylContact O-C 3.38Å; R102-M121 WeakPolarHBondContact O-CA 3.39Å; R102-A122 WeakPolarHBondContact CB-O 3.42Å; R102-A122 PolarHBondContact O-N 3.15Å; R102-E125 HydrophobicContact CG-CG 3.65Å; R102-A128 WeakPolarHBondContact O-CB 3.36Å
103	M	92.2	Very high	82.4	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	145.8	-179	-53.5	-59.2	-83.1	0	0	112.1	W31 N74 T78 L99 E100 N101 M121	W31-M103 HydrophobicContact CZ2-CE 3.37Å; W31-M103 VanDerWaalsContact NE1-CE 3.29Å; N74-M103 PolarHBondContact ND2-O 3.4Å; T78-M103 HydrophobicContact CG2-CB 3.56Å; T78-M103 WeakPolarHBondContact OG1-CB 3.3Å; L99-M103 HydrophobicContact CD1-SD 4.2Å; L99-M103 HydrophobicContact CG-SD 4.14Å; L99-M103 VanDerWaalsContact O-CG 3.3Å; L99-M103 WeakPolarHBondContact O-CG 3.47Å; L99-M103 PolarHBondContact O-N 3.26Å; E100-M103 WeakPolarHBondContact O-CB 3.12Å; E100-M103 WeakPolarHBondContact O-CG 3.49Å; E100-M103 PolarHBondContact O-N 3.09Å; E100-M103 VanDerWaalsContact O-N 3.14Å; N101-M103 VanDerWaalsContact C-N 3.34Å; M103-M121 HydrophobicContact SD-CB 3.89Å; M103-M121 HydrophobicContact SD-CG 3.79Å
104	L	95.4	Very high	84	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	115.1	167.8	171.9	66.1	0	0	0	108.2	F28 L43 R73 V106 F120 W131 A132	F28-L104 HydrophobicContact CE1-CB 4.08Å; F28-L104 HydrophobicContact CE1-CD2 3.79Å; F28-L104 HydrophobicContact CZ-CD2 3.87Å; L43-L104 HydrophobicContact CD2-CD2 4.08Å; R73-L104 WeakPolarHBondContact O-CA 3.3Å; L104-V106 HydrophobicContact CD1-CG2 4.4Å; L104-V106 HydrophobicContact CD2-CG2 4.4Å; L104-V106 HydrophobicContact CG-CG2 4.17Å; L104-F120 HydrophobicContact CB-CB 4.3Å; L104-F120 HydrophobicContact CD2-CD2 4.49Å; L104-F120 PolarHBondContact N-O 3.11Å; L104-F120 PolarHBondContact O-N 2.81Å; L104-W131 HydrophobicContact CD2-CB 3.95Å; L104-A132 HydrophobicContact CD1-CB 3.81Å
105	T	95.8	Very high	85.5	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.4	171.3	-68.8	0	0	0	0	108.6	R73 K79 V107 Y117 N119	R73-T105 PolarHBondContact N-O 3.36Å; R73-T105 PolarHBondContact O-N 2.89Å; K79-T105 PolarHBondContact N-OG1 2.92Å; T105-V107 HydrophobicContact CG2-CG2 4.17Å; T105-Y117 HydrophobicContact CG2-CD1 3.77Å; T105-N119 WeakPolarHBondContact CG2-OD1 3.25Å; T105-N119 PolarHBondContact OG1-OD1 2.89Å
106	V	96.8	Very high	86.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.7	171.5	-174.7	0	0	0	0	108	L52 L64 I69 L104 M118 F120 L135	L52-V106 HydrophobicContact CD2-CG2 4.44Å; L64-V106 HydrophobicContact CD2-CG1 4.04Å; I69-V106 HydrophobicContact CD1-CG1 4.02Å; I69-V106 HydrophobicContact CG1-CG1 3.99Å; I69-V106 HydrophobicContact CG2-CG1 4.11Å; L104-V106 HydrophobicContact CD1-CG2 4.4Å; L104-V106 HydrophobicContact CD2-CG2 4.4Å; L104-V106 HydrophobicContact CG-CG2 4.17Å; V106-M118 HydrophobicContact CB-CB 4.41Å; V106-M118 PolarHBondContact N-O 3.33Å; V106-M118 PolarHBondContact O-N 3.39Å; V106-F120 HydrophobicContact CG2-CD2 4.31Å; V106-F120 HydrophobicContact CG2-CE2 4.13Å; V106-L135 HydrophobicContact CG1-CD2 4.1Å; V106-L135 HydrophobicContact CG2-CD2 3.66Å
107	V	95.7	Very high	88	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.3	175.1	-172.6	0	0	0	0	107.8	K70 D71 T105 I115 Y117	K70-V107 PolarHBondContact N-O 2.79Å; D71-V107 HydrophobicContact CB-CB 4.05Å; D71-V107 HydrophobicContact CB-CG2 4.19Å; D71-V107 PolarHBondContact N-O 2.98Å; D71-V107 PolarHBondContact O-N 3.06Å; T105-V107 HydrophobicContact CG2-CG2 4.17Å; V107-I115 HydrophobicContact CG1-CB 4.16Å; V107-I115 HydrophobicContact CG1-CD1 4.14Å; V107-I115 HydrophobicContact CG1-CG2 4.41Å; V107-Y117 HydrophobicContact CG1-CE1 4.48Å; V107-Y117 HydrophobicContact CG2-CD1 3.97Å; V107-Y117 HydrophobicContact CG2-CE1 3.92Å
108	S	94.3	Very high	89.1	Confident	6 Å²	6	36 Å²	36	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.9	178.6	80.7	0	0	0	0	111.1	Y68 I115 T116	Y68-S108 CarbonylContact O-C 3.55Å; Y68-S108 VanDerWaalsContact O-CA 3.26Å; Y68-S108 WeakPolarHBondContact O-CA 3.28Å; S108-I115 CarbonylContact O-C 3.54Å; S108-I115 VanDerWaalsContact O-CA 3.3Å; S108-I115 WeakPolarHBondContact O-CA 3.19Å; S108-T116 PolarHBondContact N-O 2.91Å; S108-T116 PolarHBondContact O-N 3.37Å; S108-T116 PolarHBondContact O-OG1 2.95Å; S108-T116 PolarHBondContact OG-OG1 2.99Å
109	G	87.9	Confident	89.8	Confident	7 Å²	7	30.2 Å²	30.2	7%	0.072	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	159.8	179.1	0	0	0	0	0	112.5	Y68 K70	Y68-G109 PolarHBondContact O-N 3.33Å; K70-G109 WeakPolarHBondContact CE-O 3.45Å; K70-G109 PolarHBondContact NZ-O 2.87Å
110	T	79.9	Confident	90.3	Very high	64 Å²	64	28.9 Å²	28.9	39%	0.393	16%	0.155	S	C	.	.	S	Bend	trans	-79.8	-56.7	169.6	69.9	0	0	0	0	109.1	K70 K811 Q813	K70-T110 PolarHBondContact NZ-O 2.97Å; T110-K811 WeakPolarHBondContact O-CD 3.48Å; T110-K811 PolarHBondContact OG1-NZ 2.78Å; T110-Q813 PolarHBondContact O-OE1 2.86Å
111	D	79.9	Confident	90.7	Very high	19 Å²	19	25.9 Å²	25.9	10%	0.102	14%	0.141	C	C	.	.	S	Bend	trans	-101.5	-166.8	169.5	51.6	76.7	0	0	0	112.5	K70 V113 N114 K811	K70-D111 VanDerWaalsContact CE-O 3.27Å; K70-D111 WeakPolarHBondContact CE-O 3.46Å; D111-V113 WeakPolarHBondContact OD1-CA 3.4Å; D111-V113 WeakPolarHBondContact OD1-CB 3.11Å; D111-V113 PolarHBondContact OD1-N 3.31Å; D111-N114 WeakPolarHBondContact OD1-CB 3.31Å; D111-N114 PolarHBondContact OD1-N 2.9Å; D111-N114 PolarHBondContact OD1-ND2 3.27Å; D111-N114 PolarHBondContact OD2-ND2 3.39Å; D111-K811 HydrophobicContact CB-CD 3.7Å; D111-K811 HydrophobicContact CB-CG 4.32Å; D111-K811 IonicContact OD2-NZ 3.77Å; D111-K811 PolarHBondContact OD2-NZ 3.09Å
112	M	84	Confident	90.9	Very high	24 Å²	24	23.4 Å²	23.4	12%	0.118	13%	0.128	C	C	.	.	S	Bend	trans	-88.6	-8.8	-179.3	-60.8	-178.9	-157.8	0	0	113.1	M350 Q353 V354 S357 F657 L668	M112-M350 HydrophobicContact CB-SD 4.4Å; M112-Q353 HydrophobicContact CB-CB 3.77Å; M112-Q353 HydrophobicContact CB-CG 4.49Å; M112-Q353 HydrophobicContact CG-CB 4.13Å; M112-V354 HydrophobicContact SD-CG2 4.33Å; M112-S357 VanDerWaalsContact CE-CB 3.41Å; M112-F657 HydrophobicContact CE-CD1 4.05Å; M112-F657 HydrophobicContact CE-CE1 4.46Å; M112-F657 HydrophobicContact SD-CD1 3.85Å; M112-L668 HydrophobicContact CE-CD2 4.07Å
113	V	86.2	Confident	90.8	Very high	48 Å²	48	27.6 Å²	27.6	29%	0.291	15%	0.146	S	C	.	.	S	Bend	trans	-104.1	-51.8	-176.2	173	0	0	0	0	110	D111 I115 T337 M350 Q658	D111-V113 WeakPolarHBondContact OD1-CA 3.4Å; D111-V113 WeakPolarHBondContact OD1-CB 3.11Å; D111-V113 PolarHBondContact OD1-N 3.31Å; V113-I115 VanDerWaalsContact C-N 3.29Å; V113-I115 PolarHBondContact O-N 2.93Å; V113-T337 VanDerWaalsContact CG1-O 3.23Å; V113-T337 WeakPolarHBondContact CG1-O 3.42Å; V113-T337 VanDerWaalsContact CG2-O 3.27Å; V113-T337 WeakPolarHBondContact CG2-O 3.45Å; V113-M350 HydrophobicContact CG2-CE 4.18Å; V113-M350 HydrophobicContact CG2-SD 4.11Å; V113-Q658 HydrophobicContact CG2-CB 4.19Å
114	N	86.5	Confident	90.6	Very high	108 Å²	108	32.6 Å²	32.6	58%	0.578	17%	0.17	S	C	*	.	S	Bend	trans	-85.8	69.6	-179.5	-57.3	-75.7	0	0	0	110.2	D111	D111-N114 WeakPolarHBondContact OD1-CB 3.31Å; D111-N114 PolarHBondContact OD1-N 2.9Å; D111-N114 PolarHBondContact OD1-ND2 3.27Å; D111-N114 PolarHBondContact OD2-ND2 3.39Å
115	I	91.1	Very high	90.4	Very high	34 Å²	34	35 Å²	35	17%	0.174	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	151	176	60.3	173.2	0	0	0	111.8	V107 S108 V113 Y117 E349	V107-I115 HydrophobicContact CG1-CB 4.16Å; V107-I115 HydrophobicContact CG1-CD1 4.14Å; V107-I115 HydrophobicContact CG1-CG2 4.41Å; S108-I115 CarbonylContact O-C 3.54Å; S108-I115 VanDerWaalsContact O-CA 3.3Å; S108-I115 WeakPolarHBondContact O-CA 3.19Å; V113-I115 VanDerWaalsContact C-N 3.29Å; V113-I115 PolarHBondContact O-N 2.93Å; I115-Y117 HydrophobicContact CD1-CE2 3.86Å; I115-Y117 WeakPolarHBondContact CD1-OH 3.47Å; I115-Y117 HydrophobicContact CG1-CE2 4.15Å; I115-E349 HydrophobicContact CD1-CG 3.44Å; I115-E349 VanDerWaalsContact CD1-CG 3.44Å
116	T	92.4	Very high	90.2	Very high	73 Å²	73	41.2 Å²	41.2	45%	0.448	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.5	171.5	60.3	0	0	0	0	109.7	S108	S108-T116 PolarHBondContact N-O 2.91Å; S108-T116 PolarHBondContact O-N 3.37Å; S108-T116 PolarHBondContact O-OG1 2.95Å; S108-T116 PolarHBondContact OG-OG1 2.99Å
117	Y	93	Very high	90	Very high	62 Å²	62	43 Å²	43	24%	0.243	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.5	179.5	-64.9	-96	0	0	0	108.7	K79 T105 V107 I115	K79-Y117 HydrophobicContact CD-CD1 3.86Å; K79-Y117 HydrophobicContact CD-CE1 4.46Å; K79-Y117 HydrophobicContact CD-CG 3.9Å; K79-Y117 VanDerWaalsContact CE-CG 3.47Å; K79-Y117 HydrophobicContact CG-CD1 4.22Å; T105-Y117 HydrophobicContact CG2-CD1 3.77Å; V107-Y117 HydrophobicContact CG1-CE1 4.48Å; V107-Y117 HydrophobicContact CG2-CD1 3.97Å; V107-Y117 HydrophobicContact CG2-CE1 3.92Å; I115-Y117 HydrophobicContact CD1-CE2 3.86Å; I115-Y117 WeakPolarHBondContact CD1-OH 3.47Å; I115-Y117 HydrophobicContact CG1-CE2 4.15Å
118	M	93.8	Very high	89.9	Confident	38 Å²	38	43 Å²	43	19%	0.187	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.3	170.7	-60	179.2	-178.1	0	0	107.8	W54 L64 V106 F120	W54-M118 HydrophobicContact CH2-CE 4.15Å; W54-M118 HydrophobicContact CH2-SD 3.5Å; W54-M118 VanDerWaalsContact CH2-SD 3.5Å; W54-M118 HydrophobicContact CZ2-SD 4.36Å; W54-M118 HydrophobicContact CZ3-SD 4.12Å; L64-M118 HydrophobicContact CD1-CE 4.3Å; L64-M118 HydrophobicContact CD2-CE 4.3Å; L64-M118 HydrophobicContact CD2-SD 3.94Å; V106-M118 HydrophobicContact CB-CB 4.41Å; V106-M118 PolarHBondContact N-O 3.33Å; V106-M118 PolarHBondContact O-N 3.39Å; M118-F120 HydrophobicContact CB-CE2 3.7Å; M118-F120 HydrophobicContact CB-CZ 4.16Å
119	N	94.4	Very high	89.9	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.8	-175.8	-54.8	-46.8	0	0	0	111	K30 W31 T105	K30-N119 WeakPolarHBondContact CA-O 3.49Å; W31-N119 HydrophobicContact CD2-CB 3.73Å; W31-N119 HydrophobicContact CE3-CB 4.22Å; W31-N119 HydrophobicContact CG-CB 4.23Å; W31-N119 HydrophobicContact CH2-CB 4.04Å; W31-N119 VanDerWaalsContact CH2-ND2 3.3Å; W31-N119 WeakPolarHBondContact CH2-ND2 3.5Å; W31-N119 HydrophobicContact CZ2-CB 3.47Å; W31-N119 VanDerWaalsContact CZ2-CB 3.47Å; W31-N119 HydrophobicContact CZ3-CB 4.38Å; W31-N119 WeakPolarHBondContact CZ3-ND2 3.42Å; W31-N119 PolarHBondContact N-O 2.85Å; T105-N119 WeakPolarHBondContact CG2-OD1 3.25Å; T105-N119 PolarHBondContact OG1-OD1 2.89Å
120	F	94	Very high	90.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.3	179	-55.2	-87.7	0	0	0	109.3	F28 M29 K30 V41 L43 W54 L104 V106 M118	F28-F120 HydrophobicContact CB-CB 4.13Å; F28-F120 HydrophobicContact CB-CD1 4.29Å; F28-F120 HydrophobicContact CD1-CB 3.64Å; F28-F120 HydrophobicContact CE1-CB 4.34Å; F28-F120 HydrophobicContact CG-CB 4.15Å; M29-F120 CarbonylContact O-C 3.56Å; M29-F120 WeakPolarHBondContact O-CA 3.49Å; K30-F120 HydrophobicContact CB-CD1 3.9Å; K30-F120 HydrophobicContact CB-CE1 4.01Å; K30-F120 HydrophobicContact CD-CE1 4.27Å; K30-F120 HydrophobicContact CG-CD1 4.04Å; K30-F120 HydrophobicContact CG-CE1 3.82Å; V41-F120 HydrophobicContact CG2-CD1 4.21Å; V41-F120 HydrophobicContact CG2-CE1 4.25Å; L43-F120 HydrophobicContact CD1-CE1 4.14Å; L43-F120 HydrophobicContact CD1-CZ 4.08Å; W54-F120 HydrophobicContact CD2-CE1 4.43Å; W54-F120 HydrophobicContact CD2-CZ 4.36Å; W54-F120 HydrophobicContact CE3-CZ 4.16Å; W54-F120 HydrophobicContact CZ3-CZ 4.28Å; L104-F120 HydrophobicContact CB-CB 4.3Å; L104-F120 HydrophobicContact CD2-CD2 4.49Å; L104-F120 PolarHBondContact N-O 3.11Å; L104-F120 PolarHBondContact O-N 2.81Å; V106-F120 HydrophobicContact CG2-CD2 4.31Å; V106-F120 HydrophobicContact CG2-CE2 4.13Å; M118-F120 HydrophobicContact CB-CE2 3.7Å; M118-F120 HydrophobicContact CB-CZ 4.16Å
121	M	92.8	Very high	91	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.9	171.9	-177.7	-94.6	-69.3	0	0	109.7	F28 M29 L90 L99 R102 M103	F28-M121 CarbonylContact C-O 3.51Å; F28-M121 WeakPolarHBondContact CA-O 3.39Å; M29-M121 HydrophobicContact CB-CB 4.37Å; M29-M121 HydrophobicContact CB-CE 4.19Å; M29-M121 HydrophobicContact CG-CE 4.16Å; M29-M121 PolarHBondContact N-O 3.46Å; M29-M121 PolarHBondContact O-N 3.16Å; L90-M121 HydrophobicContact CB-CE 4.06Å; L90-M121 HydrophobicContact CD2-CB 4.26Å; L90-M121 HydrophobicContact CD2-CE 3.6Å; L90-M121 HydrophobicContact CG-CE 4.46Å; L90-M121 WeakPolarHBondContact O-CE 3.42Å; L99-M121 HydrophobicContact CD1-CE 4.5Å; L99-M121 HydrophobicContact CD1-CG 4.07Å; L99-M121 HydrophobicContact CD1-SD 4.49Å; R102-M121 HydrophobicContact CB-CG 4.13Å; R102-M121 CarbonylContact O-C 3.38Å; R102-M121 WeakPolarHBondContact O-CA 3.39Å; M103-M121 HydrophobicContact SD-CB 3.89Å; M103-M121 HydrophobicContact SD-CG 3.79Å
122	A	92	Very high	91.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	159	178.7	0	0	0	0	0	111.4	F28 R102 Q124 I127 A128	F28-A122 HydrophobicContact CD1-CB 3.96Å; F28-A122 HydrophobicContact CE1-CB 3.65Å; F28-A122 HydrophobicContact CZ-CB 4.27Å; R102-A122 WeakPolarHBondContact CB-O 3.42Å; R102-A122 PolarHBondContact O-N 3.15Å; A122-Q124 VanDerWaalsContact C-N 3.25Å; A122-Q124 WeakPolarHBondContact CB-O 3.29Å; A122-Q124 PolarHBondContact O-N 2.82Å; A122-I127 HydrophobicContact CB-CB 4.23Å; A122-I127 HydrophobicContact CB-CG2 4.15Å; A122-A128 HydrophobicContact CB-CB 3.89Å
123	F	88.2	Confident	92.3	Very high	90 Å²	90	51.1 Å²	51.1	40%	0.395	25%	0.249	S	C	.	.	S	Bend	trans	-78.8	-7.1	174	-61.8	-83.5	0	0	0	113.7	K27 M29 L95	K27-F123 HydrophobicContact CB-CD2 4.09Å; K27-F123 HydrophobicContact CB-CE2 3.86Å; K27-F123 WeakPolarHBondContact O-CD2 3.39Å; M29-F123 HydrophobicContact CG-CE1 4.31Å; M29-F123 HydrophobicContact CG-CE2 4.32Å; M29-F123 HydrophobicContact CG-CZ 3.74Å; M29-F123 HydrophobicContact SD-CZ 3.82Å; L95-F123 HydrophobicContact CD1-CD1 4.43Å
124	Q	88.5	Confident	92.7	Very high	108 Å²	108	51.9 Å²	51.9	51%	0.505	25%	0.249	S	C	.	.	S	Bend	trans	-141.7	143.5	-177.8	-68.3	178	-16.9	0	0	109.5	A122 E126 I127 A128	A122-Q124 VanDerWaalsContact C-N 3.25Å; A122-Q124 WeakPolarHBondContact CB-O 3.29Å; A122-Q124 PolarHBondContact O-N 2.82Å; Q124-E126 VanDerWaalsContact C-N 3.34Å; Q124-I127 HydrophobicContact CB-CB 4.42Å; Q124-I127 HydrophobicContact CB-CD1 4.08Å; Q124-I127 HydrophobicContact CB-CG1 4.06Å; Q124-I127 HydrophobicContact CG-CD1 4.43Å; Q124-I127 VanDerWaalsContact OE1-CD1 3.3Å; Q124-A128 PolarHBondContact O-N 3.46Å
125	E	90.9	Very high	93.2	Very high	49 Å²	49	46.8 Å²	46.8	23%	0.229	22%	0.222	C	C	.	.	H	α-helix	trans	-69.2	-36.7	-178.4	-64.5	-168.3	175.4	0	0	111	G97 K98 N101 R102 I127 A128 K129	G97-E125 WeakPolarHBondContact CA-OE1 3.4Å; K98-E125 PolarHBondContact N-OE1 3.22Å; N101-E125 HydrophobicContact CB-CB 4.14Å; N101-E125 HydrophobicContact CB-CG 3.62Å; N101-E125 WeakPolarHBondContact CB-OE1 3.29Å; N101-E125 VanDerWaalsContact CB-OE2 3.26Å; N101-E125 WeakPolarHBondContact CB-OE2 3.45Å; N101-E125 PolarHBondContact ND2-OE1 3.38Å; N101-E125 PolarHBondContact ND2-OE2 2.69Å; R102-E125 HydrophobicContact CG-CG 3.65Å; E125-I127 PolarHBondContact O-N 2.93Å; E125-A128 PolarHBondContact O-N 3.13Å; E125-K129 PolarHBondContact O-N 3.39Å
126	E	91.9	Very high	93.4	Very high	134 Å²	134	46.7 Å²	46.7	63%	0.626	22%	0.22	S	C	*	.	H	α-helix	trans	-60.5	-43.8	179.8	-60.2	75.6	-169.2	0	0	111.5	Q124 K129 E130	Q124-E126 VanDerWaalsContact C-N 3.34Å; E126-K129 PolarHBondContact O-N 3.43Å; E126-E130 WeakPolarHBondContact O-CB 3.48Å; E126-E130 PolarHBondContact O-N 3.29Å
127	I	93.6	Very high	93.5	Very high	37 Å²	37	46 Å²	46	19%	0.19	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-45.8	177.6	-64	-180	0	0	0	110.3	F28 A122 Q124 E125 K129 E130 W131	F28-I127 HydrophobicContact CE2-CG2 4.26Å; F28-I127 HydrophobicContact CZ-CG2 3.96Å; A122-I127 HydrophobicContact CB-CB 4.23Å; A122-I127 HydrophobicContact CB-CG2 4.15Å; Q124-I127 HydrophobicContact CB-CB 4.42Å; Q124-I127 HydrophobicContact CB-CD1 4.08Å; Q124-I127 HydrophobicContact CB-CG1 4.06Å; Q124-I127 HydrophobicContact CG-CD1 4.43Å; Q124-I127 VanDerWaalsContact OE1-CD1 3.3Å; E125-I127 PolarHBondContact O-N 2.93Å; I127-K129 VanDerWaalsContact C-N 3.26Å; I127-K129 PolarHBondContact O-N 2.67Å; I127-E130 PolarHBondContact O-N 3.48Å; I127-W131 WeakPolarHBondContact O-CB 3.41Å; I127-W131 PolarHBondContact O-N 3.01Å
128	A	93.2	Very high	93.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.6	-34.5	179.3	0	0	0	0	0	112.4	N74 R102 A122 Q124 E125 A132	N74-A128 WeakPolarHBondContact ND2-CB 3.49Å; R102-A128 WeakPolarHBondContact O-CB 3.36Å; A122-A128 HydrophobicContact CB-CB 3.89Å; Q124-A128 PolarHBondContact O-N 3.46Å; E125-A128 PolarHBondContact O-N 3.13Å; A128-A132 PolarHBondContact O-N 3.06Å
129	K	94	Very high	93.5	Very high	99 Å²	99	42.1 Å²	42.1	43%	0.43	20%	0.204	S	C	.	.	H	α-helix	trans	-70.8	-54.2	174.7	-168.6	-170.7	-178.6	-96.8	0	112.3	E125 E126 I127 W131 A132 E133	E125-K129 PolarHBondContact O-N 3.39Å; E126-K129 PolarHBondContact O-N 3.43Å; I127-K129 VanDerWaalsContact C-N 3.26Å; I127-K129 PolarHBondContact O-N 2.67Å; K129-W131 VanDerWaalsContact C-N 3.28Å; K129-W131 PolarHBondContact O-N 2.95Å; K129-A132 PolarHBondContact O-N 2.65Å; K129-E133 VanDerWaalsContact CE-OE1 3.25Å; K129-E133 WeakPolarHBondContact CE-OE1 3.38Å; K129-E133 IonicContact NZ-OE1 2.61Å; K129-E133 PolarHBondContact NZ-OE1 2.92Å; K129-E133 IonicContact NZ-OE2 2.63Å; K129-E133 PolarHBondContact NZ-OE2 3.47Å; K129-E133 PolarHBondContact O-N 2.96Å
130	E	95.1	Very high	93.4	Very high	77 Å²	77	44.1 Å²	44.1	36%	0.36	22%	0.218	S	C	.	.	H	α-helix	trans	-54.9	-45.5	-179.3	-177.3	-177.1	-146.7	0	0	110.8	C21 E126 I127 A132 E133 E134	C21-E130 PolarHBondContact SG-OE1 2.81Å; C21-E130 PolarHBondContact SG-OE2 2.93Å; E126-E130 WeakPolarHBondContact O-CB 3.48Å; E126-E130 PolarHBondContact O-N 3.29Å; I127-E130 PolarHBondContact O-N 3.48Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.41Å; E130-E133 PolarHBondContact O-N 2.72Å; E130-E134 HydrophobicContact CG-CG 4.49Å; E130-E134 WeakPolarHBondContact O-CB 3.31Å; E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.49Å
131	W	96.4	Very high	93.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-32.1	176.7	-83.5	74.6	0	0	0	113.9	L22 S26 F28 L43 V45 L52 L104 I127 K129 L135	L22-W131 HydrophobicContact CB-CH2 4.27Å; L22-W131 HydrophobicContact CB-CZ2 4.33Å; L22-W131 HydrophobicContact CD1-CD2 3.84Å; L22-W131 HydrophobicContact CD1-CE3 4.33Å; L22-W131 HydrophobicContact CD1-CG 4.09Å; L22-W131 HydrophobicContact CD1-CZ2 4.1Å; L22-W131 HydrophobicContact CG-CD2 4.01Å; L22-W131 HydrophobicContact CG-CE3 4Å; L22-W131 HydrophobicContact CG-CH2 3.89Å; L22-W131 HydrophobicContact CG-CZ2 3.92Å; L22-W131 HydrophobicContact CG-CZ3 3.93Å; S26-W131 PolarHBondContact OG-NE1 3.42Å; S26-W131 VanDerWaalsContact OG-NE1 3.13Å; F28-W131 AromaticContact CE2-CD2 3.89Å; F28-W131 HydrophobicContact CE2-CD2 3.89Å; F28-W131 AromaticContact CE2-CE2 3.92Å; F28-W131 HydrophobicContact CE2-CE3 4.42Å; F28-W131 HydrophobicContact CE2-CG 4.06Å; F28-W131 HydrophobicContact CE2-CZ2 4.46Å; F28-W131 HydrophobicContact CZ-CB 4.09Å; F28-W131 AromaticContact CZ-CD1 3.98Å; F28-W131 HydrophobicContact CZ-CD2 4.02Å; F28-W131 AromaticContact CZ-CG 3.73Å; F28-W131 HydrophobicContact CZ-CG 3.73Å; L43-W131 VanDerWaalsContact C-CH2 3.5Å; L43-W131 HydrophobicContact CB-CH2 4.23Å; L43-W131 HydrophobicContact CB-CZ3 4.27Å; L43-W131 HydrophobicContact CD2-CE3 3.76Å; L43-W131 HydrophobicContact CD2-CH2 4.49Å; L43-W131 HydrophobicContact CD2-CZ3 3.75Å; L43-W131 HydrophobicContact CG-CE3 4.17Å; L43-W131 HydrophobicContact CG-CH2 4.06Å; L43-W131 HydrophobicContact CG-CZ3 3.62Å; L43-W131 WeakPolarHBondContact O-CH2 3.45Å; L43-W131 WeakPolarHBondContact O-CZ2 3.42Å; V45-W131 HydrophobicContact CG2-CH2 4.44Å; V45-W131 HydrophobicContact CG2-CZ3 4.04Å; L52-W131 HydrophobicContact CD1-CE3 4.47Å; L52-W131 HydrophobicContact CD1-CZ3 3.76Å; L104-W131 HydrophobicContact CD2-CB 3.95Å; I127-W131 WeakPolarHBondContact O-CB 3.41Å; I127-W131 PolarHBondContact O-N 3.01Å; K129-W131 VanDerWaalsContact C-N 3.28Å; K129-W131 PolarHBondContact O-N 2.95Å; W131-L135 WeakPolarHBondContact O-CB 3.38Å; W131-L135 PolarHBondContact O-N 2.86Å; W131-L135 VanDerWaalsContact O-N 3.16Å
132	A	95.4	Very high	93.3	Very high	7 Å²	7	46.1 Å²	46.1	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-71.8	-46.2	175.5	0	0	0	0	0	111.6	N74 L104 A128 K129 E130 F136	N74-A132 HydrophobicContact CB-CB 3.77Å; L104-A132 HydrophobicContact CD1-CB 3.81Å; A128-A132 PolarHBondContact O-N 3.06Å; K129-A132 PolarHBondContact O-N 2.65Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 3.41Å; A132-F136 VanDerWaalsContact O-CB 3.27Å; A132-F136 WeakPolarHBondContact O-CB 3.36Å; A132-F136 PolarHBondContact O-N 3.4Å
133	E	94.4	Very high	93.3	Very high	107 Å²	107	48 Å²	48	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-46.9	-178.6	-67.9	-179	147	0	0	111.7	K129 E130 S137	K129-E133 VanDerWaalsContact CE-OE1 3.25Å; K129-E133 WeakPolarHBondContact CE-OE1 3.38Å; K129-E133 IonicContact NZ-OE1 2.61Å; K129-E133 PolarHBondContact NZ-OE1 2.92Å; K129-E133 IonicContact NZ-OE2 2.63Å; K129-E133 PolarHBondContact NZ-OE2 3.47Å; K129-E133 PolarHBondContact O-N 2.96Å; E130-E133 PolarHBondContact O-N 2.72Å; E133-S137 WeakPolarHBondContact O-CB 3.44Å; E133-S137 PolarHBondContact O-N 2.63Å
134	E	95.6	Very high	93.4	Very high	65 Å²	65	44.5 Å²	44.5	30%	0.304	23%	0.226	S	C	.	.	H	α-helix	trans	-75.5	-39.2	-177.1	-70.6	-70.1	162.1	0	0	112.8	P19 L22 E130 F136 S137 L138	P19-E134 HydrophobicContact CG-CB 4.18Å; P19-E134 VanDerWaalsContact CG-CD 3.48Å; P19-E134 HydrophobicContact CG-CG 3.74Å; P19-E134 VanDerWaalsContact CG-OE2 3.32Å; P19-E134 WeakPolarHBondContact CG-OE2 3.23Å; L22-E134 HydrophobicContact CD1-CB 4.44Å; L22-E134 HydrophobicContact CD2-CB 3.92Å; E130-E134 HydrophobicContact CG-CG 4.49Å; E130-E134 WeakPolarHBondContact O-CB 3.31Å; E130-E134 WeakPolarHBondContact O-CG 3.48Å; E130-E134 PolarHBondContact O-N 3.49Å; E134-F136 VanDerWaalsContact C-N 3.28Å; E134-F136 PolarHBondContact O-N 3.48Å; E134-S137 WeakPolarHBondContact O-CB 3.22Å; E134-S137 PolarHBondContact O-N 2.87Å; E134-L138 VanDerWaalsContact O-CG 3.3Å; E134-L138 WeakPolarHBondContact O-CG 3.42Å; E134-L138 PolarHBondContact O-N 3.46Å
135	L	96.1	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-34.3	176.1	-173.6	63.2	0	0	0	111.9	L52 I66 I69 A72 V106 W131 A139	L52-L135 HydrophobicContact CB-CD1 4.4Å; L52-L135 HydrophobicContact CD1-CD1 4.17Å; L52-L135 HydrophobicContact CD1-CD2 4.44Å; L52-L135 HydrophobicContact CD2-CD1 4.44Å; L52-L135 HydrophobicContact CD2-CD2 3.94Å; I66-L135 HydrophobicContact CD1-CD1 4.24Å; I66-L135 HydrophobicContact CG1-CD1 4.23Å; I69-L135 HydrophobicContact CD1-CD1 3.6Å; I69-L135 HydrophobicContact CD1-CD2 3.98Å; I69-L135 HydrophobicContact CD1-CG 3.76Å; A72-L135 HydrophobicContact CB-CB 4.42Å; A72-L135 HydrophobicContact CB-CD2 4.42Å; V106-L135 HydrophobicContact CG1-CD2 4.1Å; V106-L135 HydrophobicContact CG2-CD2 3.66Å; W131-L135 WeakPolarHBondContact O-CB 3.38Å; W131-L135 PolarHBondContact O-N 2.86Å; W131-L135 VanDerWaalsContact O-N 3.16Å; L135-A139 WeakPolarHBondContact O-CB 3.36Å; L135-A139 PolarHBondContact O-N 3.17Å
136	F	95.1	Very high	93.5	Very high	32 Å²	32	39.8 Å²	39.8	14%	0.14	21%	0.205	C	C	.	.	H	α-helix	trans	-69.5	-40.3	172.8	-173.4	-105.3	0	0	0	112.3	A72 A132 E134 L138 A139 S140 L356 K403 T404	A72-F136 HydrophobicContact CB-CB 4.28Å; A132-F136 VanDerWaalsContact O-CB 3.27Å; A132-F136 WeakPolarHBondContact O-CB 3.36Å; A132-F136 PolarHBondContact O-N 3.4Å; E134-F136 VanDerWaalsContact C-N 3.28Å; E134-F136 PolarHBondContact O-N 3.48Å; F136-L138 PolarHBondContact O-N 2.92Å; F136-A139 PolarHBondContact O-N 3.5Å; F136-S140 VanDerWaalsContact O-CB 3.3Å; F136-S140 WeakPolarHBondContact O-CB 3.42Å; F136-S140 PolarHBondContact O-N 2.94Å; F136-S140 PolarHBondContact O-OG 3.29Å; F136-L356 HydrophobicContact CE2-CD2 3.8Å; F136-L356 HydrophobicContact CZ-CD2 3.74Å; F136-K403 HydrophobicContact CE1-CB 4.16Å; F136-K403 HydrophobicContact CZ-CB 3.95Å; F136-K403 HydrophobicContact CZ-CD 4.43Å; F136-T404 HydrophobicContact CE1-CG2 4.36Å; F136-T404 HydrophobicContact CZ-CG2 3.64Å
137	S	94.2	Very high	93.5	Very high	59 Å²	59	34.5 Å²	34.5	41%	0.413	18%	0.181	S	C	.	.	H	α-helix	trans	-57	-46.4	172.3	-178.8	0	0	0	0	111.8	E133 E134 S140 N141	E133-S137 WeakPolarHBondContact O-CB 3.44Å; E133-S137 PolarHBondContact O-N 2.63Å; E134-S137 WeakPolarHBondContact O-CB 3.22Å; E134-S137 PolarHBondContact O-N 2.87Å; S137-S140 PolarHBondContact O-OG 3.17Å; S137-N141 PolarHBondContact O-N 2.91Å
138	L	94.8	Very high	93.5	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-44.9	176.5	-65.6	172.1	0	0	0	112.5	V16 V18 L22 V45 I66 E134 F136	V16-L138 HydrophobicContact CG1-CD2 3.56Å; V18-L138 HydrophobicContact CG1-CD1 4.4Å; V18-L138 HydrophobicContact CG2-CD1 4.12Å; V18-L138 HydrophobicContact CG2-CD2 3.94Å; L22-L138 HydrophobicContact CD2-CD1 4.06Å; V45-L138 HydrophobicContact CG1-CD1 4.12Å; I66-L138 HydrophobicContact CG2-CB 4.04Å; E134-L138 VanDerWaalsContact O-CG 3.3Å; E134-L138 WeakPolarHBondContact O-CG 3.42Å; E134-L138 PolarHBondContact O-N 3.46Å; F136-L138 PolarHBondContact O-N 2.92Å
139	A	93.6	Very high	93.5	Very high	10 Å²	10	33.7 Å²	33.7	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-37.2	179.5	0	0	0	0	0	113.2	I66 I69 L135 F136 Q145	I66-A139 HydrophobicContact CG2-CB 4.08Å; I69-A139 HydrophobicContact CB-CB 3.79Å; I69-A139 HydrophobicContact CG2-CB 3.9Å; L135-A139 WeakPolarHBondContact O-CB 3.36Å; L135-A139 PolarHBondContact O-N 3.17Å; F136-A139 PolarHBondContact O-N 3.5Å; A139-Q145 PolarHBondContact O-NE2 3.37Å
140	S	91.8	Very high	93.5	Very high	44 Å²	44	32 Å²	32	31%	0.308	17%	0.171	S	C	.	.	H	α-helix	trans	-81.9	-14.5	-178.2	59.2	0	0	0	0	114.3	F136 S137 L142 Q145	F136-S140 VanDerWaalsContact O-CB 3.3Å; F136-S140 WeakPolarHBondContact O-CB 3.42Å; F136-S140 PolarHBondContact O-N 2.94Å; F136-S140 PolarHBondContact O-OG 3.29Å; S137-S140 PolarHBondContact O-OG 3.17Å; S140-L142 PolarHBondContact O-N 2.75Å; S140-Q145 PolarHBondContact O-NE2 3.28Å
141	N	92.9	Very high	93.4	Very high	31 Å²	31	28.8 Å²	28.8	17%	0.166	16%	0.158	C	C	.	.			trans	-58.2	118.8	-177	-172.6	-67.6	0	0	0	113	K14 S137 L143 A144 Q145	K14-N141 PolarHBondContact O-ND2 2.72Å; S137-N141 PolarHBondContact O-N 2.91Å; N141-L143 PolarHBondContact O-N 3.36Å; N141-L143 WeakPolarHBondContact OD1-CA 3.34Å; N141-L143 WeakPolarHBondContact OD1-CB 3.25Å; N141-L143 PolarHBondContact OD1-N 3.37Å; N141-A144 HydrophobicContact CB-CB 4.07Å; N141-A144 WeakPolarHBondContact O-CB 3.48Å; N141-A144 PolarHBondContact O-N 3.18Å; N141-A144 PolarHBondContact OD1-N 3.44Å; N141-Q145 PolarHBondContact O-N 2.99Å; N141-Q145 VanDerWaalsContact O-N 3.16Å
142	L	91.9	Very high	93.4	Very high	11 Å²	11	28.8 Å²	28.8	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-71.1	-26.9	-175.9	-63	179.7	0	0	0	113.8	L13 S140 Q145 N146 K676	L13-L142 HydrophobicContact CD1-CB 4.31Å; L13-L142 HydrophobicContact CD2-CB 4.32Å; L13-L142 HydrophobicContact CD2-CD1 4.27Å; S140-L142 PolarHBondContact O-N 2.75Å; L142-Q145 PolarHBondContact O-N 2.95Å; L142-N146 VanDerWaalsContact O-CB 3.3Å; L142-N146 WeakPolarHBondContact O-CB 3.49Å; L142-N146 PolarHBondContact O-N 3.08Å; L142-N146 PolarHBondContact O-ND2 2.88Å; L142-K676 HydrophobicContact CD1-CB 4.09Å; L142-K676 HydrophobicContact CD2-CB 3.89Å; L142-K676 HydrophobicContact CD2-CD 3.85Å; L142-K676 HydrophobicContact CD2-CG 4.48Å
143	L	92.2	Very high	93.4	Very high	39 Å²	39	29.2 Å²	29.2	20%	0.204	16%	0.159	C	C	.	.	H	α-helix	trans	-72.4	-37.1	174.7	-57.1	-179.3	0	0	0	110.9	L13 N141 Q145 N146 M147 P310	L13-L143 HydrophobicContact CB-CD1 4.03Å; L13-L143 HydrophobicContact CB-CD2 4.19Å; L13-L143 HydrophobicContact CB-CG 4.03Å; L13-L143 HydrophobicContact CD1-CD2 3.79Å; L13-L143 HydrophobicContact CD1-CG 4.27Å; N141-L143 PolarHBondContact O-N 3.36Å; N141-L143 WeakPolarHBondContact OD1-CA 3.34Å; N141-L143 WeakPolarHBondContact OD1-CB 3.25Å; N141-L143 PolarHBondContact OD1-N 3.37Å; L143-Q145 VanDerWaalsContact C-N 3.31Å; L143-Q145 PolarHBondContact O-N 3.03Å; L143-N146 CarbonylContact O-C 3.55Å; L143-N146 VanDerWaalsContact O-C 3.24Å; L143-N146 PolarHBondContact O-N 2.69Å; L143-N146 VanDerWaalsContact O-N 3.16Å; L143-M147 WeakPolarHBondContact O-CA 3.43Å; L143-M147 PolarHBondContact O-N 2.77Å; L143-P310 HydrophobicContact CD2-CB 4.15Å
144	A	90.3	Very high	93.4	Very high	17 Å²	17	27.3 Å²	27.3	14%	0.14	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-38.7	171.2	0	0	0	0	0	112.1	V16 N141 N146	V16-A144 HydrophobicContact CG2-CB 3.77Å; N141-A144 HydrophobicContact CB-CB 4.07Å; N141-A144 WeakPolarHBondContact O-CB 3.48Å; N141-A144 PolarHBondContact O-N 3.18Å; N141-A144 PolarHBondContact OD1-N 3.44Å; A144-N146 VanDerWaalsContact C-N 3.33Å
145	Q	89.7	Confident	93.5	Very high	32 Å²	32	24.6 Å²	24.6	15%	0.15	14%	0.137	C	C	.	.	H	α-helix	trans	-72.5	-24.9	175.1	-66.8	169	31.3	0	0	112.5	A139 S140 N141 L142 L143 R808	A139-Q145 PolarHBondContact O-NE2 3.37Å; S140-Q145 PolarHBondContact O-NE2 3.28Å; N141-Q145 PolarHBondContact O-N 2.99Å; N141-Q145 VanDerWaalsContact O-N 3.16Å; L142-Q145 PolarHBondContact O-N 2.95Å; L143-Q145 VanDerWaalsContact C-N 3.31Å; L143-Q145 PolarHBondContact O-N 3.03Å; Q145-R808 PolarHBondContact O-NH2 2.91Å
146	N	92.2	Very high	93.5	Very high	27 Å²	27	24.6 Å²	24.6	14%	0.144	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	34	-178.9	-71.1	-92.4	0	0	0	112.8	L142 L143 A144 L313 E672 R791 R808	L142-N146 VanDerWaalsContact O-CB 3.3Å; L142-N146 WeakPolarHBondContact O-CB 3.49Å; L142-N146 PolarHBondContact O-N 3.08Å; L142-N146 PolarHBondContact O-ND2 2.88Å; L143-N146 CarbonylContact O-C 3.55Å; L143-N146 VanDerWaalsContact O-C 3.24Å; L143-N146 PolarHBondContact O-N 2.69Å; L143-N146 VanDerWaalsContact O-N 3.16Å; A144-N146 VanDerWaalsContact C-N 3.33Å; N146-L313 HydrophobicContact CB-CD1 3.51Å; N146-E672 PolarHBondContact ND2-OE1 2.88Å; N146-E672 PolarHBondContact OD1-OE1 3Å; N146-R791 PolarHBondContact OD1-NH2 3.49Å; N146-R808 VanDerWaalsContact CG-NH2 3.25Å; N146-R808 PolarHBondContact ND2-NH2 3.32Å; N146-R808 PolarHBondContact OD1-NH2 3.12Å
147	M	91.1	Very high	93.5	Very high	23 Å²	23	24.3 Å²	24.3	11%	0.113	14%	0.136	C	C	.	.			trans	-61.7	150.6	-172.8	77.1	-160.6	-46.7	0	0	113.7	Y50 L143 A151 C152 K155	Y50-M147 HydrophobicContact CD1-CE 3.89Å; Y50-M147 HydrophobicContact CE1-CE 3.36Å; L143-M147 WeakPolarHBondContact O-CA 3.43Å; L143-M147 PolarHBondContact O-N 2.77Å; M147-A151 HydrophobicContact CB-CB 3.98Å; M147-A151 HydrophobicContact CE-CB 3.84Å; M147-A151 WeakPolarHBondContact CE-O 3.4Å; M147-A151 HydrophobicContact CG-CB 4.31Å; M147-C152 WeakPolarHBondContact CG-SG 3.31Å; M147-K155 HydrophobicContact CE-CB 4.17Å; M147-K155 HydrophobicContact CE-CD 3.9Å; M147-K155 HydrophobicContact SD-CD 4.15Å
148	S	92.8	Very high	93.7	Very high	14 Å²	14	22.7 Å²	22.7	10%	0.098	12%	0.123	C	C	.	.			trans	-64.4	165.5	177.5	63.9	0	0	0	0	112.7	E150 A151 C152	S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 PolarHBondContact O-N 2.85Å; S148-A151 PolarHBondContact O-N 2.81Å; S148-A151 WeakPolarHBondContact OG-CB 3.38Å; S148-A151 PolarHBondContact OG-N 3.06Å; S148-C152 PolarHBondContact O-N 3.17Å; S148-C152 PolarHBondContact O-SG 2.84Å; S148-C152 VanDerWaalsContact O-SG 3.4Å
149	R	94.5	Very high	93.7	Very high	6 Å²	6	26.2 Å²	26.2	2%	0.023	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-36.7	176.8	-179.7	53.4	175	173	-7.5	111.1	C152 L153 N301 Q717 Y804 L817	R149-C152 WeakPolarHBondContact O-CB 3.39Å; R149-C152 PolarHBondContact O-N 3.26Å; R149-L153 HydrophobicContact CG-CD1 4.47Å; R149-L153 WeakPolarHBondContact O-CG 3.25Å; R149-L153 PolarHBondContact O-N 3.01Å; R149-N301 HydrophobicContact CB-CB 4.16Å; R149-N301 HydrophobicContact CG-CB 4.39Å; R149-N301 PolarHBondContact N-O 3.19Å; R149-N301 VanDerWaalsContact N-O 3.12Å; R149-Q717 VanDerWaalsContact CZ-OE1 3.29Å; R149-Y804 HydrophobicContact CB-CD2 3.9Å; R149-Y804 HydrophobicContact CB-CG 4.02Å; R149-Y804 HydrophobicContact CG-CD1 4.39Å; R149-Y804 HydrophobicContact CG-CD2 4.05Å; R149-Y804 HydrophobicContact CG-CE2 4.43Å; R149-Y804 HydrophobicContact CG-CG 4.03Å; R149-L817 VanDerWaalsContact CZ-O 3.28Å; R149-L817 PolarHBondContact NH1-O 3.17Å; R149-L817 PolarHBondContact NH2-O 3.48Å
150	E	93.4	Very high	93.8	Very high	63 Å²	63	25.7 Å²	25.7	29%	0.294	13%	0.132	S	C	.	.	H	α-helix	trans	-62.1	-47.1	175.1	-160	61.4	-158.8	0	0	111.4	S148 C152 L153 E154 N301	S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 PolarHBondContact O-N 2.85Å; E150-C152 VanDerWaalsContact C-N 3.32Å; E150-C152 PolarHBondContact O-N 3.33Å; E150-L153 PolarHBondContact O-N 2.87Å; E150-E154 PolarHBondContact O-N 3.06Å; E150-N301 HydrophobicContact CB-CB 4.09Å; E150-N301 PolarHBondContact N-O 3.1Å; E150-N301 VanDerWaalsContact N-O 3.09Å; E150-N301 VanDerWaalsContact OE2-CB 3.27Å; E150-N301 WeakPolarHBondContact OE2-CB 2.93Å; E150-N301 PolarHBondContact OE2-ND2 2.7Å
151	A	93.9	Very high	93.9	Very high	9 Å²	9	25.7 Å²	25.7	7%	0.074	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-34.2	177	0	0	0	0	0	112.8	M147 S148 L153 K155	M147-A151 HydrophobicContact CB-CB 3.98Å; M147-A151 HydrophobicContact CE-CB 3.84Å; M147-A151 WeakPolarHBondContact CE-O 3.4Å; M147-A151 HydrophobicContact CG-CB 4.31Å; S148-A151 PolarHBondContact O-N 2.81Å; S148-A151 WeakPolarHBondContact OG-CB 3.38Å; S148-A151 PolarHBondContact OG-N 3.06Å; A151-L153 VanDerWaalsContact C-N 3.31Å; A151-L153 PolarHBondContact O-N 2.96Å; A151-K155 VanDerWaalsContact O-CB 3.26Å; A151-K155 WeakPolarHBondContact O-CB 3.47Å; A151-K155 PolarHBondContact O-N 3.06Å
152	C	95.2	Very high	94	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-39.8	171.1	-73.4	0	0	0	0	112.6	M147 S148 R149 E150 A156 M816	M147-C152 WeakPolarHBondContact CG-SG 3.31Å; S148-C152 PolarHBondContact O-N 3.17Å; S148-C152 PolarHBondContact O-SG 2.84Å; S148-C152 VanDerWaalsContact O-SG 3.4Å; R149-C152 WeakPolarHBondContact O-CB 3.39Å; R149-C152 PolarHBondContact O-N 3.26Å; E150-C152 VanDerWaalsContact C-N 3.32Å; E150-C152 PolarHBondContact O-N 3.33Å; C152-A156 PolarHBondContact O-N 3.01Å; C152-M816 WeakPolarHBondContact CB-O 3.4Å
153	L	95.3	Very high	93.9	Very high	15 Å²	15	27.2 Å²	27.2	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-76.3	-39.9	179.2	-63.6	171.3	0	0	0	111.5	R149 E150 A151 K155 A156 Y157 L217 F718 L817	R149-L153 HydrophobicContact CG-CD1 4.47Å; R149-L153 WeakPolarHBondContact O-CG 3.25Å; R149-L153 PolarHBondContact O-N 3.01Å; E150-L153 PolarHBondContact O-N 2.87Å; A151-L153 VanDerWaalsContact C-N 3.31Å; A151-L153 PolarHBondContact O-N 2.96Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 2.93Å; L153-A156 WeakPolarHBondContact O-CB 3.39Å; L153-A156 PolarHBondContact O-N 2.95Å; L153-A156 VanDerWaalsContact O-N 3.13Å; L153-Y157 PolarHBondContact O-N 3.32Å; L153-L217 HydrophobicContact CB-CD1 4.25Å; L153-L217 HydrophobicContact CD1-CD1 4.14Å; L153-L217 HydrophobicContact CD2-CD1 3.98Å; L153-L217 HydrophobicContact CG-CD1 4.34Å; L153-F718 HydrophobicContact CD2-CE2 4.39Å; L153-L817 HydrophobicContact CD2-CD2 4.16Å
154	E	95.6	Very high	93.9	Very high	67 Å²	67	27.8 Å²	27.8	31%	0.313	14%	0.136	S	C	.	.	H	α-helix	trans	-59.4	-41.6	171.5	-169.7	-174.8	-137.7	0	0	111.2	K48 Y50 E150 A156 Y157 T158	K48-E154 WeakPolarHBondContact CE-OE1 3.42Å; K48-E154 IonicContact NZ-OE1 2.75Å; K48-E154 PolarHBondContact NZ-OE1 3.1Å; K48-E154 IonicContact NZ-OE2 3.51Å; K48-E154 PolarHBondContact NZ-OE2 2.93Å; Y50-E154 HydrophobicContact CE2-CB 4.36Å; Y50-E154 HydrophobicContact CE2-CG 4.21Å; Y50-E154 PolarHBondContact OH-OE2 3.07Å; E150-E154 PolarHBondContact O-N 3.06Å; E154-A156 VanDerWaalsContact C-N 3.3Å; E154-A156 PolarHBondContact O-N 3.18Å; E154-Y157 WeakPolarHBondContact O-CB 3.32Å; E154-Y157 PolarHBondContact O-N 2.77Å; E154-T158 PolarHBondContact O-N 3.44Å; E154-T158 PolarHBondContact O-OG1 2.84Å
155	K	96.2	Very high	93.9	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.035	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-37.9	174.1	-179.9	164.4	-179.6	179.2	0	112.7	Y50 F51 D65 M147 A151 L153 R159 M816	Y50-K155 HydrophobicContact CD1-CB 4.42Å; Y50-K155 HydrophobicContact CD1-CD 4.08Å; Y50-K155 HydrophobicContact CD1-CG 4.44Å; Y50-K155 HydrophobicContact CD2-CB 3.7Å; Y50-K155 HydrophobicContact CD2-CG 4.02Å; Y50-K155 HydrophobicContact CE2-CB 3.88Å; Y50-K155 HydrophobicContact CG-CB 3.97Å; Y50-K155 HydrophobicContact CG-CD 3.95Å; Y50-K155 HydrophobicContact CG-CG 3.88Å; F51-K155 HydrophobicContact CE2-CG 3.77Å; F51-K155 WeakPolarHBondContact CE2-O 3.05Å; F51-K155 HydrophobicContact CZ-CD 4.33Å; F51-K155 HydrophobicContact CZ-CG 3.64Å; D65-K155 IonicContact OD1-NZ 2.68Å; D65-K155 PolarHBondContact OD1-NZ 3.37Å; D65-K155 WeakPolarHBondContact OD2-CE 3.22Å; D65-K155 IonicContact OD2-NZ 3.64Å; D65-K155 PolarHBondContact OD2-NZ 2.85Å; M147-K155 HydrophobicContact CE-CB 4.17Å; M147-K155 HydrophobicContact CE-CD 3.9Å; M147-K155 HydrophobicContact SD-CD 4.15Å; A151-K155 VanDerWaalsContact O-CB 3.26Å; A151-K155 WeakPolarHBondContact O-CB 3.47Å; A151-K155 PolarHBondContact O-N 3.06Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 2.93Å; K155-R159 WeakPolarHBondContact O-CB 3.33Å; K155-R159 PolarHBondContact O-N 3.14Å; K155-R159 VanDerWaalsContact O-N 3.12Å; K155-M816 HydrophobicContact CG-CG 4.21Å; K155-M816 HydrophobicContact CG-SD 4.19Å
156	A	96.2	Very high	93.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-41.1	174.1	0	0	0	0	0	112.3	C152 L153 E154 R159 L160 M178 Y213 M816 L817	C152-A156 PolarHBondContact O-N 3.01Å; L153-A156 WeakPolarHBondContact O-CB 3.39Å; L153-A156 PolarHBondContact O-N 2.95Å; L153-A156 VanDerWaalsContact O-N 3.13Å; E154-A156 VanDerWaalsContact C-N 3.3Å; E154-A156 PolarHBondContact O-N 3.18Å; A156-R159 PolarHBondContact O-N 3.03Å; A156-L160 PolarHBondContact O-N 2.79Å; A156-M178 HydrophobicContact CB-SD 3.94Å; A156-Y213 WeakPolarHBondContact CB-OH 3.43Å; A156-M816 HydrophobicContact CB-CE 3.76Å; A156-M816 HydrophobicContact CB-CG 4.32Å; A156-M816 HydrophobicContact CB-SD 4.13Å; A156-L817 HydrophobicContact CB-CD2 3.73Å; A156-L817 HydrophobicContact CB-CG 4.42Å
157	Y	96.8	Very high	93.6	Very high	27 Å²	27	35.2 Å²	35.2	11%	0.106	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-50.4	173.5	170.7	-105.5	0	0	0	112.7	L153 E154 R159 L160 K161 F208 P210 Y213	L153-Y157 PolarHBondContact O-N 3.32Å; E154-Y157 WeakPolarHBondContact O-CB 3.32Å; E154-Y157 PolarHBondContact O-N 2.77Å; Y157-R159 VanDerWaalsContact C-N 3.26Å; Y157-R159 PolarHBondContact O-N 2.94Å; Y157-L160 WeakPolarHBondContact O-CA 3.23Å; Y157-L160 WeakPolarHBondContact O-CB 3.35Å; Y157-L160 PolarHBondContact O-N 2.9Å; Y157-K161 HydrophobicContact CE1-CD 3.88Å; Y157-K161 HydrophobicContact CE1-CG 4.47Å; Y157-K161 HydrophobicContact CE2-CD 4.07Å; Y157-K161 HydrophobicContact CE2-CG 4.37Å; Y157-K161 PolarHBondContact O-N 3.18Å; Y157-K161 VanDerWaalsContact O-N 3.09Å; Y157-K161 PolarHBondContact OH-NZ 2.9Å; Y157-F208 HydrophobicContact CD2-CD1 4.05Å; Y157-F208 AromaticContact CD2-CE1 3.83Å; Y157-F208 HydrophobicContact CD2-CE1 3.83Å; Y157-F208 AromaticContact CE2-CD1 3.77Å; Y157-F208 HydrophobicContact CE2-CD1 3.77Å; Y157-F208 HydrophobicContact CE2-CE1 4.04Å; Y157-F208 WeakPolarHBondContact CE2-O 3.4Å; Y157-F208 PolarHBondContact OH-O 3.15Å; Y157-F208 VanDerWaalsContact OH-O 3.06Å; Y157-P210 HydrophobicContact CE1-CG 4.13Å; Y157-P210 VanDerWaalsContact OH-CD 3.28Å; Y157-P210 WeakPolarHBondContact OH-CD 3.41Å; Y157-Y213 AromaticContact CD2-CD1 3.94Å; Y157-Y213 HydrophobicContact CD2-CD1 3.94Å; Y157-Y213 HydrophobicContact CD2-CD2 4.04Å; Y157-Y213 AromaticContact CD2-CG 3.62Å; Y157-Y213 HydrophobicContact CD2-CG 3.62Å; Y157-Y213 HydrophobicContact CE2-CG 4.41Å; Y157-Y213 HydrophobicContact CG-CD1 4.13Å; Y157-Y213 HydrophobicContact CG-CE1 4.49Å; Y157-Y213 HydrophobicContact CG-CG 4.27Å
158	T	96.6	Very high	93.5	Very high	25 Å²	25	35.7 Å²	35.7	15%	0.153	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-41.7	177.1	-64.8	0	0	0	0	111.3	D46 F51 E154 L160 K161 L162	D46-T158 HydrophobicContact CB-CG2 4.18Å; F51-T158 HydrophobicContact CD2-CG2 4.12Å; F51-T158 HydrophobicContact CE2-CG2 4.39Å; E154-T158 PolarHBondContact O-N 3.44Å; E154-T158 PolarHBondContact O-OG1 2.84Å; T158-L160 VanDerWaalsContact C-N 3.33Å; T158-L160 PolarHBondContact O-N 3.01Å; T158-K161 PolarHBondContact O-N 2.9Å; T158-L162 HydrophobicContact CG2-CD1 4.02Å; T158-L162 HydrophobicContact CG2-CG 4.42Å; T158-L162 WeakPolarHBondContact O-CG 3.34Å; T158-L162 PolarHBondContact O-N 3.03Å
159	R	96.1	Very high	93.5	Very high	81 Å²	81	40.3 Å²	40.3	31%	0.306	20%	0.2	S	C	.	.	H	α-helix	trans	-59.7	-40	174.5	-174	174.4	177.5	154.2	6.2	112.9	F51 L63 K155 A156 Y157 L162 Q163 M178	F51-R159 HydrophobicContact CE2-CB 3.83Å; F51-R159 HydrophobicContact CZ-CB 3.74Å; F51-R159 HydrophobicContact CZ-CG 4.22Å; L63-R159 HydrophobicContact CD2-CG 4.24Å; K155-R159 WeakPolarHBondContact O-CB 3.33Å; K155-R159 PolarHBondContact O-N 3.14Å; K155-R159 VanDerWaalsContact O-N 3.12Å; A156-R159 PolarHBondContact O-N 3.03Å; Y157-R159 VanDerWaalsContact C-N 3.26Å; Y157-R159 PolarHBondContact O-N 2.94Å; R159-L162 PolarHBondContact O-N 3Å; R159-Q163 HydrophobicContact CG-CG 4.47Å; R159-Q163 WeakPolarHBondContact O-CG 3.36Å; R159-Q163 PolarHBondContact O-N 2.93Å; R159-Q163 VanDerWaalsContact O-N 3.12Å; R159-M178 HydrophobicContact CB-CE 4.21Å; R159-M178 HydrophobicContact CG-CE 4.19Å
160	L	95.4	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-36.4	176.5	-69.1	171.9	0	0	0	112.2	A156 Y157 T158 I170 N174 I175 M178 F208 Y213	A156-L160 PolarHBondContact O-N 2.79Å; Y157-L160 WeakPolarHBondContact O-CA 3.23Å; Y157-L160 WeakPolarHBondContact O-CB 3.35Å; Y157-L160 PolarHBondContact O-N 2.9Å; T158-L160 VanDerWaalsContact C-N 3.33Å; T158-L160 PolarHBondContact O-N 3.01Å; L160-I170 HydrophobicContact CB-CG2 4.43Å; L160-N174 HydrophobicContact CD2-CB 4.32Å; L160-I175 HydrophobicContact CD1-CG1 4.23Å; L160-I175 HydrophobicContact CD2-CG1 3.99Å; L160-M178 HydrophobicContact CD1-CE 4.41Å; L160-M178 HydrophobicContact CD1-SD 4.02Å; L160-M178 HydrophobicContact CD2-CE 3.72Å; L160-M178 HydrophobicContact CD2-SD 4.19Å; L160-M178 HydrophobicContact CG-CE 3.71Å; L160-M178 HydrophobicContact CG-SD 3.99Å; L160-F208 HydrophobicContact CB-CE1 4.34Å; L160-F208 HydrophobicContact CD1-CE1 4.08Å; L160-F208 HydrophobicContact CD1-CZ 4.13Å; L160-Y213 HydrophobicContact CD1-CE2 4.11Å
161	K	94.8	Very high	93.7	Very high	44 Å²	44	37.3 Å²	37.3	19%	0.191	19%	0.186	C	C	.	.	H	α-helix	trans	-73.4	-26.7	176.2	-53.4	-152.9	84.9	140.7	0	113.9	Y157 T158 L164 I170 Q205 F208	Y157-K161 HydrophobicContact CE1-CD 3.88Å; Y157-K161 HydrophobicContact CE1-CG 4.47Å; Y157-K161 HydrophobicContact CE2-CD 4.07Å; Y157-K161 HydrophobicContact CE2-CG 4.37Å; Y157-K161 PolarHBondContact O-N 3.18Å; Y157-K161 VanDerWaalsContact O-N 3.09Å; Y157-K161 PolarHBondContact OH-NZ 2.9Å; T158-K161 PolarHBondContact O-N 2.9Å; K161-L164 VanDerWaalsContact O-CD2 3.23Å; K161-L164 WeakPolarHBondContact O-CD2 3.45Å; K161-L164 VanDerWaalsContact O-CG 3.28Å; K161-L164 WeakPolarHBondContact O-CG 3.49Å; K161-I170 HydrophobicContact CG-CD1 4.14Å; K161-Q205 PolarHBondContact NZ-O 3.35Å; K161-F208 PolarHBondContact NZ-O 3.04Å
162	L	93.3	Very high	93.8	Very high	25 Å²	25	36.9 Å²	36.9	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-80.6	-30.4	175.4	-67.1	174.7	0	0	0	112.9	F51 Y53 T158 R159 L164	F51-L162 HydrophobicContact CB-CD1 4.02Å; F51-L162 HydrophobicContact CD2-CD1 4.05Å; F51-L162 HydrophobicContact CG-CD1 4.31Å; Y53-L162 HydrophobicContact CD1-CD1 4.01Å; Y53-L162 HydrophobicContact CD1-CD2 4.03Å; Y53-L162 HydrophobicContact CD2-CD2 4.18Å; Y53-L162 HydrophobicContact CE1-CD1 4.36Å; Y53-L162 HydrophobicContact CE1-CD2 3.77Å; Y53-L162 HydrophobicContact CE2-CD2 3.95Å; Y53-L162 HydrophobicContact CG-CD1 4.41Å; Y53-L162 HydrophobicContact CG-CD2 4.22Å; T158-L162 HydrophobicContact CG2-CD1 4.02Å; T158-L162 HydrophobicContact CG2-CG 4.42Å; T158-L162 WeakPolarHBondContact O-CG 3.34Å; T158-L162 PolarHBondContact O-N 3.03Å; R159-L162 PolarHBondContact O-N 3Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 2.99Å
163	Q	91.3	Very high	93.8	Very high	48 Å²	48	42.1 Å²	42.1	22%	0.224	21%	0.206	C	C	.	.	S	Bend	trans	-86.5	66.6	-179	-63.5	-156.4	-91	0	0	113	L63 R159 P171 N174	L63-Q163 HydrophobicContact CD2-CG 3.29Å; R159-Q163 HydrophobicContact CG-CG 4.47Å; R159-Q163 WeakPolarHBondContact O-CG 3.36Å; R159-Q163 PolarHBondContact O-N 2.93Å; R159-Q163 VanDerWaalsContact O-N 3.12Å; Q163-P171 WeakPolarHBondContact O-CD 3.4Å; Q163-N174 PolarHBondContact O-ND2 3.48Å
164	L	91.8	Very high	93.8	Very high	51 Å²	51	42.1 Å²	42.1	27%	0.267	21%	0.206	S	C	.	.			trans	-80.5	171.7	-178.7	-57	174.1	0	0	0	113.6	K161 L162 R169 I170 Q205	K161-L164 VanDerWaalsContact O-CD2 3.23Å; K161-L164 WeakPolarHBondContact O-CD2 3.45Å; K161-L164 VanDerWaalsContact O-CG 3.28Å; K161-L164 WeakPolarHBondContact O-CG 3.49Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 2.99Å; L164-R169 CarbonylContact C-O 3.57Å; L164-R169 WeakPolarHBondContact CA-O 3.4Å; L164-I170 HydrophobicContact CD2-CG1 3.92Å; L164-Q205 VanDerWaalsContact CD1-NE2 3.27Å; L164-Q205 HydrophobicContact CD2-CG 3.89Å
165	N	90.4	Very high	93.8	Very high	30 Å²	30	38.9 Å²	38.9	16%	0.16	19%	0.191	C	C	.	.			trans	-94.6	171.3	159.6	62.4	-6.3	0	0	0	111.4	E167 G168 R169 P171	N165-E167 WeakPolarHBondContact CB-OE2 3.49Å; N165-E167 PolarHBondContact ND2-OE2 3.01Å; N165-E167 PolarHBondContact O-N 2.94Å; N165-G168 PolarHBondContact O-N 3.31Å; N165-G168 PolarHBondContact OD1-N 3.24Å; N165-R169 PolarHBondContact N-O 2.8Å; N165-R169 WeakPolarHBondContact OD1-CA 3.34Å; N165-R169 WeakPolarHBondContact OD1-CB 3.12Å; N165-R169 PolarHBondContact OD1-N 2.94Å; N165-R169 PolarHBondContact OD1-O 3.31Å; N165-P171 HydrophobicContact CB-CG 4.08Å
166	P	86.9	Confident	93.7	Very high	69 Å²	69	39.4 Å²	39.4	45%	0.448	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.3	176.2	-27.6	37.7	0	0	0	114.7	G168	P166-G168 VanDerWaalsContact C-N 3.29Å
167	E	87.2	Confident	93.6	Very high	134 Å²	134	47.5 Å²	47.5	63%	0.626	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.6	172.6	-57.9	73.3	-152.2	0	0	114.1	N165	N165-E167 WeakPolarHBondContact CB-OE2 3.49Å; N165-E167 PolarHBondContact ND2-OE2 3.01Å; N165-E167 PolarHBondContact O-N 2.94Å
168	G	89.4	Confident	93.4	Very high	33 Å²	33	47.9 Å²	47.9	34%	0.34	23%	0.226	S	C	.	.	S	Bend	trans	79.1	15.6	175.9	0	0	0	0	0	115.7	N165 P166 Q205	N165-G168 PolarHBondContact O-N 3.31Å; N165-G168 PolarHBondContact OD1-N 3.24Å; P166-G168 VanDerWaalsContact C-N 3.29Å; G168-Q205 PolarHBondContact O-NE2 3.28Å
169	R	94.3	Very high	93.3	Very high	110 Å²	110	47.1 Å²	47.1	42%	0.415	22%	0.221	S	C	.	.	S	Bend	trans	-109.6	156.2	-176	-62.2	-177.9	174	-143.9	-5.9	112.2	L164 N165 P171 S202 I203	L164-R169 CarbonylContact C-O 3.57Å; L164-R169 WeakPolarHBondContact CA-O 3.4Å; N165-R169 PolarHBondContact N-O 2.8Å; N165-R169 WeakPolarHBondContact OD1-CA 3.34Å; N165-R169 WeakPolarHBondContact OD1-CB 3.12Å; N165-R169 PolarHBondContact OD1-N 2.94Å; N165-R169 PolarHBondContact OD1-O 3.31Å; R169-P171 VanDerWaalsContact O-CD 3.25Å; R169-P171 WeakPolarHBondContact O-CD 3.43Å; R169-S202 WeakPolarHBondContact CD-OG 3.38Å; R169-I203 WeakPolarHBondContact CB-O 3.49Å
170	I	95.5	Very high	93	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.5	178.5	-57.6	175.8	0	0	0	109.1	L160 K161 L164 V172 S202 I203 Q205 F208	L160-I170 HydrophobicContact CB-CG2 4.43Å; K161-I170 HydrophobicContact CG-CD1 4.14Å; L164-I170 HydrophobicContact CD2-CG1 3.92Å; I170-V172 PolarHBondContact O-N 2.85Å; I170-S202 CarbonylContact O-C 3.51Å; I170-S202 VanDerWaalsContact O-CA 3.29Å; I170-S202 WeakPolarHBondContact O-CA 3.32Å; I170-I203 HydrophobicContact CB-CB 4.43Å; I170-I203 PolarHBondContact N-O 3.29Å; I170-I203 PolarHBondContact O-N 3.18Å; I170-Q205 HydrophobicContact CD1-CG 4.39Å; I170-Q205 HydrophobicContact CG1-CG 4.12Å; I170-F208 HydrophobicContact CD1-CB 3.81Å; I170-F208 HydrophobicContact CD1-CD1 3.56Å; I170-F208 HydrophobicContact CD1-CE1 4.37Å; I170-F208 HydrophobicContact CD1-CG 3.91Å
171	P	95.7	Very high	92.7	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.039	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126.7	-178.6	-17.5	34.4	0	0	0	111.1	Q163 N165 R169 K173 N174	Q163-P171 WeakPolarHBondContact O-CD 3.4Å; N165-P171 HydrophobicContact CB-CG 4.08Å; R169-P171 VanDerWaalsContact O-CD 3.25Å; R169-P171 WeakPolarHBondContact O-CD 3.43Å; P171-K173 HydrophobicContact CB-CD 4.14Å; P171-K173 HydrophobicContact CB-CG 3.69Å; P171-K173 PolarHBondContact O-N 2.89Å; P171-K173 VanDerWaalsContact O-N 3.14Å; P171-N174 WeakPolarHBondContact O-CB 3.27Å; P171-N174 PolarHBondContact O-N 3.42Å
172	V	96.1	Very high	92.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-28	-175.9	-174.8	0	0	0	0	111.7	I170 N174 I175 F176 L190 P196 G198 D201 I203	I170-V172 PolarHBondContact O-N 2.85Å; V172-N174 PolarHBondContact O-N 3.43Å; V172-N174 VanDerWaalsContact O-N 3.1Å; V172-I175 PolarHBondContact O-N 2.7Å; V172-F176 HydrophobicContact CG1-CD2 3.78Å; V172-F176 HydrophobicContact CG1-CE2 3.46Å; V172-F176 VanDerWaalsContact CG1-CE2 3.46Å; V172-F176 HydrophobicContact CG1-CZ 4.33Å; V172-F176 WeakPolarHBondContact O-CD2 3.47Å; V172-F176 PolarHBondContact O-N 2.89Å; V172-L190 HydrophobicContact CG1-CD1 3.6Å; V172-P196 HydrophobicContact CG2-CB 4.49Å; V172-P196 WeakPolarHBondContact CG2-O 3.44Å; V172-G198 WeakPolarHBondContact CB-O 3.24Å; V172-D201 HydrophobicContact CG2-CB 3.92Å; V172-D201 WeakPolarHBondContact CG2-O 3.49Å; V172-D201 PolarHBondContact N-O 3.31Å; V172-I203 HydrophobicContact CG2-CD1 4.08Å; V172-I203 HydrophobicContact CG2-CG1 3.7Å
173	K	95.1	Very high	92.4	Very high	111 Å²	111	48.5 Å²	48.5	48%	0.483	24%	0.236	S	C	.	.	H	α-helix	trans	-50.6	-29	167.5	67.1	-175.4	-174.9	-169.4	0	114.4	P171 R177 R199	P171-K173 HydrophobicContact CB-CD 4.14Å; P171-K173 HydrophobicContact CB-CG 3.69Å; P171-K173 PolarHBondContact O-N 2.89Å; P171-K173 VanDerWaalsContact O-N 3.14Å; K173-R177 WeakPolarHBondContact O-CB 3.47Å; K173-R177 PolarHBondContact O-N 3.16Å; K173-R177 VanDerWaalsContact O-N 3.17Å; K173-R199 WeakPolarHBondContact CB-O 3.38Å; K173-R199 PolarHBondContact N-O 3.38Å
174	N	94.4	Very high	92.4	Very high	15 Å²	15	54 Å²	54	8%	0.08	26%	0.259	C	S	.	.	H	α-helix	trans	-80	-36.9	179.1	-67.3	-13	0	0	0	111.2	L160 Q163 P171 V172 R177 M178	L160-N174 HydrophobicContact CD2-CB 4.32Å; Q163-N174 PolarHBondContact O-ND2 3.48Å; P171-N174 WeakPolarHBondContact O-CB 3.27Å; P171-N174 PolarHBondContact O-N 3.42Å; V172-N174 PolarHBondContact O-N 3.43Å; V172-N174 VanDerWaalsContact O-N 3.1Å; N174-R177 PolarHBondContact O-N 3.17Å; N174-M178 PolarHBondContact O-N 3.39Å
175	I	95.6	Very high	92.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-48.2	171.9	-53.1	178	0	0	0	109.7	L160 V172 R177 M178 F179 V186 L190 I203 F208 F216	L160-I175 HydrophobicContact CD1-CG1 4.23Å; L160-I175 HydrophobicContact CD2-CG1 3.99Å; V172-I175 PolarHBondContact O-N 2.7Å; I175-R177 PolarHBondContact O-N 2.69Å; I175-M178 PolarHBondContact O-N 3.24Å; I175-M178 VanDerWaalsContact O-N 3.11Å; I175-F179 HydrophobicContact CG2-CD2 4.1Å; I175-F179 PolarHBondContact O-N 3.41Å; I175-V186 HydrophobicContact CG2-CG1 3.97Å; I175-L190 HydrophobicContact CD1-CD2 4.1Å; I175-I203 HydrophobicContact CD1-CD1 3.74Å; I175-F208 HydrophobicContact CD1-CE2 4.23Å; I175-F208 HydrophobicContact CD1-CZ 4.25Å; I175-F216 HydrophobicContact CG2-CE1 4.29Å; I175-F216 HydrophobicContact CG2-CE2 4.31Å; I175-F216 HydrophobicContact CG2-CZ 3.73Å
176	F	94.8	Very high	92.7	Very high	18 Å²	18	53.2 Å²	53.2	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-25.7	174.7	-75.6	-58.9	0	0	0	114.1	V172 S180 R183 V186 E187 A197 R199	V172-F176 HydrophobicContact CG1-CD2 3.78Å; V172-F176 HydrophobicContact CG1-CE2 3.46Å; V172-F176 VanDerWaalsContact CG1-CE2 3.46Å; V172-F176 HydrophobicContact CG1-CZ 4.33Å; V172-F176 WeakPolarHBondContact O-CD2 3.47Å; V172-F176 PolarHBondContact O-N 2.89Å; F176-S180 VanDerWaalsContact O-CA 3.3Å; F176-S180 WeakPolarHBondContact O-CA 3.18Å; F176-S180 WeakPolarHBondContact O-CB 3.05Å; F176-S180 PolarHBondContact O-N 3.48Å; F176-R183 HydrophobicContact CD1-CG 3.56Å; F176-R183 HydrophobicContact CE1-CG 3.59Å; F176-R183 VanDerWaalsContact CE1-NH1 3.32Å; F176-R183 WeakPolarHBondContact CE1-O 3.32Å; F176-R183 HydrophobicContact CG-CG 4.46Å; F176-R183 VanDerWaalsContact CG-NH1 3.31Å; F176-R183 VanDerWaalsContact CZ-CZ 3.44Å; F176-R183 VanDerWaalsContact CZ-NH2 3.31Å; F176-V186 HydrophobicContact CD1-CB 3.79Å; F176-V186 HydrophobicContact CD1-CG1 3.51Å; F176-V186 HydrophobicContact CD1-CG2 4.43Å; F176-V186 HydrophobicContact CE1-CB 3.7Å; F176-V186 HydrophobicContact CE1-CG1 3.53Å; F176-V186 HydrophobicContact CG-CG1 4.33Å; F176-V186 HydrophobicContact CZ-CG1 4.34Å; F176-E187 HydrophobicContact CE1-CB 4.15Å; F176-E187 HydrophobicContact CZ-CB 4.17Å; F176-E187 HydrophobicContact CZ-CG 4.15Å; F176-A197 VanDerWaalsContact CE2-O 3.31Å; F176-A197 WeakPolarHBondContact CE2-O 3.38Å; F176-A197 VanDerWaalsContact CZ-O 3.26Å; F176-A197 WeakPolarHBondContact CZ-O 3.43Å; F176-R199 HydrophobicContact CE2-CB 4.48Å
177	R	93.6	Very high	93.1	Very high	171 Å²	171	52.7 Å²	52.7	65%	0.645	24%	0.241	S	C	*	.	H	α-helix	trans	-79.4	-35.8	174.1	-176.7	-173	-72.1	155.4	-8.8	111.8	K173 N174 I175	K173-R177 WeakPolarHBondContact O-CB 3.47Å; K173-R177 PolarHBondContact O-N 3.16Å; K173-R177 VanDerWaalsContact O-N 3.17Å; N174-R177 PolarHBondContact O-N 3.17Å; I175-R177 PolarHBondContact O-N 2.69Å
178	M	93.6	Very high	93.6	Very high	34 Å²	34	49.6 Å²	49.6	17%	0.167	23%	0.232	C	C	.	.	H	α-helix	trans	-72.6	-33.9	179.2	-175	172.5	-66.6	0	0	112.5	A156 R159 L160 N174 I175 M816 L817	A156-M178 HydrophobicContact CB-SD 3.94Å; R159-M178 HydrophobicContact CB-CE 4.21Å; R159-M178 HydrophobicContact CG-CE 4.19Å; L160-M178 HydrophobicContact CD1-CE 4.41Å; L160-M178 HydrophobicContact CD1-SD 4.02Å; L160-M178 HydrophobicContact CD2-CE 3.72Å; L160-M178 HydrophobicContact CD2-SD 4.19Å; L160-M178 HydrophobicContact CG-CE 3.71Å; L160-M178 HydrophobicContact CG-SD 3.99Å; N174-M178 PolarHBondContact O-N 3.39Å; I175-M178 PolarHBondContact O-N 3.24Å; I175-M178 VanDerWaalsContact O-N 3.11Å; M178-M816 HydrophobicContact CE-CE 3.93Å; M178-M816 HydrophobicContact CG-CE 4.44Å; M178-M816 HydrophobicContact SD-CE 4.09Å; M178-L817 HydrophobicContact CG-CD1 3.66Å; M178-L817 HydrophobicContact SD-CD1 4.33Å
179	F	93.4	Very high	93.9	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.044	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	40.9	-176.9	-60.6	-78	0	0	0	112.4	I175 A181 V186 F216 L217 I220 F718 L817	I175-F179 HydrophobicContact CG2-CD2 4.1Å; I175-F179 PolarHBondContact O-N 3.41Å; F179-A181 PolarHBondContact O-N 2.93Å; F179-A181 VanDerWaalsContact O-N 3.12Å; F179-V186 HydrophobicContact CB-CG2 3.6Å; F179-V186 WeakPolarHBondContact O-CG2 3.48Å; F179-F216 AromaticContact CD2-CE1 4Å; F179-F216 HydrophobicContact CD2-CE1 4Å; F179-F216 HydrophobicContact CD2-CZ 4.11Å; F179-F216 AromaticContact CE2-CE1 3.78Å; F179-F216 HydrophobicContact CE2-CE1 3.78Å; F179-F216 HydrophobicContact CE2-CZ 4.35Å; F179-F216 HydrophobicContact CZ-CE1 4.27Å; F179-L217 HydrophobicContact CE1-CD2 4.2Å; F179-L217 HydrophobicContact CZ-CD2 3.99Å; F179-I220 HydrophobicContact CB-CD1 3.66Å; F179-I220 HydrophobicContact CD1-CD1 4.02Å; F179-I220 HydrophobicContact CG-CD1 3.89Å; F179-F718 AromaticContact CD1-CD1 3.86Å; F179-F718 HydrophobicContact CD1-CD1 3.86Å; F179-F718 AromaticContact CD1-CE1 3.73Å; F179-F718 HydrophobicContact CD1-CE1 3.73Å; F179-F718 HydrophobicContact CD1-CZ 4.31Å; F179-F718 HydrophobicContact CE1-CD1 4.01Å; F179-F718 HydrophobicContact CE1-CD2 4.45Å; F179-F718 AromaticContact CE1-CE1 3.75Å; F179-F718 HydrophobicContact CE1-CE1 3.75Å; F179-F718 HydrophobicContact CE1-CE2 4.23Å; F179-F718 HydrophobicContact CE1-CG 4.36Å; F179-F718 AromaticContact CE1-CZ 3.87Å; F179-F718 HydrophobicContact CE1-CZ 3.87Å; F179-L817 HydrophobicContact CD1-CD1 4.35Å; F179-L817 HydrophobicContact CE1-CD1 3.83Å; F179-L817 HydrophobicContact CE1-CD2 4.35Å; F179-L817 HydrophobicContact CZ-CD1 4.18Å
180	S	91	Very high	94	Very high	49 Å²	49	42.9 Å²	42.9	34%	0.343	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-65	-15.6	-169.9	52.4	0	0	0	0	116.2	F176 D182 D721	F176-S180 VanDerWaalsContact O-CA 3.3Å; F176-S180 WeakPolarHBondContact O-CA 3.18Å; F176-S180 WeakPolarHBondContact O-CB 3.05Å; F176-S180 PolarHBondContact O-N 3.48Å; S180-D182 VanDerWaalsContact C-N 3.26Å; S180-D182 PolarHBondContact O-N 3.32Å; S180-D721 CarbonylContact C-O 3.52Å; S180-D721 WeakPolarHBondContact OG-CB 3.48Å; S180-D721 PolarHBondContact OG-O 3.01Å
181	A	88.2	Confident	94	Very high	10 Å²	10	48.1 Å²	48.1	8%	0.083	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-61.8	-27	-174.7	0	0	0	0	0	114.4	F179 T720 D721 K723 I754	F179-A181 PolarHBondContact O-N 2.93Å; F179-A181 VanDerWaalsContact O-N 3.12Å; A181-T720 WeakPolarHBondContact CB-O 3.33Å; A181-D721 PolarHBondContact N-O 3.02Å; A181-K723 WeakPolarHBondContact O-CB 3.36Å; A181-I754 HydrophobicContact CB-CD1 4.13Å; A181-I754 HydrophobicContact CB-CG1 3.76Å
182	D	90.3	Very high	94	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.182	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-148.3	96.2	164.6	-163.1	-51.9	0	0	0	110.9	S180 K184 R185 V186 K723 I754	S180-D182 VanDerWaalsContact C-N 3.26Å; S180-D182 PolarHBondContact O-N 3.32Å; D182-K184 VanDerWaalsContact C-N 3.28Å; D182-K184 PolarHBondContact O-N 2.65Å; D182-K184 PolarHBondContact OD1-N 3.16Å; D182-R185 HydrophobicContact CB-CB 3.97Å; D182-R185 PolarHBondContact O-N 3.37Å; D182-R185 PolarHBondContact OD1-N 3.12Å; D182-V186 PolarHBondContact O-N 3.45Å; D182-K723 IonicContact OD2-NZ 3.33Å; D182-K723 PolarHBondContact OD2-NZ 2.91Å; D182-I754 HydrophobicContact CB-CD1 3.55Å
183	R	91.1	Very high	94	Very high	86 Å²	86	52.5 Å²	52.5	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-54.6	-41.4	178.7	-171.4	-161.4	147.7	66.4	12	112.4	F176 R185 V186 E187	F176-R183 HydrophobicContact CD1-CG 3.56Å; F176-R183 HydrophobicContact CE1-CG 3.59Å; F176-R183 VanDerWaalsContact CE1-NH1 3.32Å; F176-R183 WeakPolarHBondContact CE1-O 3.32Å; F176-R183 HydrophobicContact CG-CG 4.46Å; F176-R183 VanDerWaalsContact CG-NH1 3.31Å; F176-R183 VanDerWaalsContact CZ-CZ 3.44Å; F176-R183 VanDerWaalsContact CZ-NH2 3.31Å; R183-R185 VanDerWaalsContact C-N 3.33Å; R183-R185 PolarHBondContact O-N 2.98Å; R183-V186 WeakPolarHBondContact O-CB 3.25Å; R183-V186 PolarHBondContact O-N 2.89Å; R183-E187 IonicContact CZ-OE1 3.35Å; R183-E187 IonicContact CZ-OE2 2.66Å; R183-E187 IonicContact NE-OE2 2.85Å; R183-E187 PolarHBondContact NE-OE2 3.03Å; R183-E187 IonicContact NH2-OE1 2.7Å; R183-E187 PolarHBondContact NH2-OE1 2.62Å; R183-E187 IonicContact NH2-OE2 2.67Å; R183-E187 PolarHBondContact NH2-OE2 3.19Å; R183-E187 WeakPolarHBondContact O-CB 3.48Å; R183-E187 PolarHBondContact O-N 3.35Å
184	K	92.6	Very high	94	Very high	163 Å²	163	54.4 Å²	54.4	71%	0.709	26%	0.26	S	S	*	.	H	α-helix	trans	-67.1	-38.3	-176.6	-69.8	-169.4	176.4	-170	0	111	D182 V186 E187 T188	D182-K184 VanDerWaalsContact C-N 3.28Å; D182-K184 PolarHBondContact O-N 2.65Å; D182-K184 PolarHBondContact OD1-N 3.16Å; K184-V186 VanDerWaalsContact C-N 3.33Å; K184-V186 PolarHBondContact O-N 3.49Å; K184-E187 WeakPolarHBondContact O-CB 3.27Å; K184-E187 PolarHBondContact O-N 3.08Å; K184-T188 PolarHBondContact O-N 3.49Å; K184-T188 PolarHBondContact O-OG1 3.26Å
185	R	93.6	Very high	94	Very high	65 Å²	65	54.5 Å²	54.5	25%	0.245	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-36.2	175.8	-159.3	178.7	-173.3	178.5	-4.4	112.4	D182 R183 A189 I220 S222 N755	D182-R185 HydrophobicContact CB-CB 3.97Å; D182-R185 PolarHBondContact O-N 3.37Å; D182-R185 PolarHBondContact OD1-N 3.12Å; R183-R185 VanDerWaalsContact C-N 3.33Å; R183-R185 PolarHBondContact O-N 2.98Å; R185-A189 WeakPolarHBondContact O-CB 3.45Å; R185-A189 PolarHBondContact O-N 3.03Å; R185-I220 WeakPolarHBondContact CD-O 3.4Å; R185-I220 HydrophobicContact CG-CG1 4.16Å; R185-I220 PolarHBondContact NE-O 3.06Å; R185-I220 PolarHBondContact NH1-O 2.99Å; R185-I220 PolarHBondContact NH2-O 3.47Å; R185-S222 PolarHBondContact NH2-OG 3.41Å; R185-N755 PolarHBondContact NH1-OD1 2.96Å; R185-N755 PolarHBondContact NH2-ND2 2.94Å
186	V	94.9	Very high	94	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-44.9	171.4	177.8	0	0	0	0	111.2	I175 F176 F179 D182 R183 K184 A189 L190 F216 I220	I175-V186 HydrophobicContact CG2-CG1 3.97Å; F176-V186 HydrophobicContact CD1-CB 3.79Å; F176-V186 HydrophobicContact CD1-CG1 3.51Å; F176-V186 HydrophobicContact CD1-CG2 4.43Å; F176-V186 HydrophobicContact CE1-CB 3.7Å; F176-V186 HydrophobicContact CE1-CG1 3.53Å; F176-V186 HydrophobicContact CG-CG1 4.33Å; F176-V186 HydrophobicContact CZ-CG1 4.34Å; F179-V186 HydrophobicContact CB-CG2 3.6Å; F179-V186 WeakPolarHBondContact O-CG2 3.48Å; D182-V186 PolarHBondContact O-N 3.45Å; R183-V186 WeakPolarHBondContact O-CB 3.25Å; R183-V186 PolarHBondContact O-N 2.89Å; K184-V186 VanDerWaalsContact C-N 3.33Å; K184-V186 PolarHBondContact O-N 3.49Å; V186-A189 PolarHBondContact O-N 2.9Å; V186-L190 HydrophobicContact CG1-CD1 4.12Å; V186-L190 WeakPolarHBondContact O-CG 3.33Å; V186-L190 PolarHBondContact O-N 3.44Å; V186-F216 HydrophobicContact CG1-CE2 4.22Å; V186-F216 HydrophobicContact CG1-CZ 4.23Å; V186-I220 HydrophobicContact CB-CD1 4.43Å; V186-I220 HydrophobicContact CG2-CD1 3.51Å
187	E	95.7	Very high	93.9	Very high	57 Å²	57	56.5 Å²	56.5	27%	0.266	28%	0.276	S	S	.	.	H	α-helix	trans	-59.2	-54.4	-177.5	-153.3	151.3	-175.2	0	0	110.3	F176 R183 K184 A189 L190 E191 A197	F176-E187 HydrophobicContact CE1-CB 4.15Å; F176-E187 HydrophobicContact CZ-CB 4.17Å; F176-E187 HydrophobicContact CZ-CG 4.15Å; R183-E187 IonicContact CZ-OE1 3.35Å; R183-E187 IonicContact CZ-OE2 2.66Å; R183-E187 IonicContact NE-OE2 2.85Å; R183-E187 PolarHBondContact NE-OE2 3.03Å; R183-E187 IonicContact NH2-OE1 2.7Å; R183-E187 PolarHBondContact NH2-OE1 2.62Å; R183-E187 IonicContact NH2-OE2 2.67Å; R183-E187 PolarHBondContact NH2-OE2 3.19Å; R183-E187 WeakPolarHBondContact O-CB 3.48Å; R183-E187 PolarHBondContact O-N 3.35Å; K184-E187 WeakPolarHBondContact O-CB 3.27Å; K184-E187 PolarHBondContact O-N 3.08Å; E187-A189 VanDerWaalsContact C-N 3.35Å; E187-A189 PolarHBondContact O-N 3.17Å; E187-L190 PolarHBondContact O-N 3.19Å; E187-E191 WeakPolarHBondContact O-CG 3.28Å; E187-E191 PolarHBondContact O-N 2.96Å; E187-E191 VanDerWaalsContact O-N 3.08Å; E187-A197 HydrophobicContact CG-CB 4.22Å
188	T	96.3	Very high	93.8	Very high	69 Å²	69	49.4 Å²	49.4	42%	0.423	26%	0.257	S	S	.	.	H	α-helix	trans	-66.4	-30.4	175.8	-56.2	0	0	0	0	113.8	K184 L190 E191 N192	K184-T188 PolarHBondContact O-N 3.49Å; K184-T188 PolarHBondContact O-OG1 3.26Å; T188-L190 VanDerWaalsContact C-N 3.33Å; T188-E191 WeakPolarHBondContact CA-OE2 3.4Å; T188-E191 PolarHBondContact O-N 2.95Å; T188-N192 WeakPolarHBondContact O-CB 3.44Å; T188-N192 VanDerWaalsContact O-CG 3.26Å; T188-N192 PolarHBondContact O-N 3.24Å; T188-N192 PolarHBondContact O-OD1 3.03Å
189	A	96.1	Very high	93.6	Very high	2 Å²	2	55.9 Å²	55.9	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-68.4	-31.2	174.6	0	0	0	0	0	112.8	R185 V186 E187 C193 F216 N219 I220	R185-A189 WeakPolarHBondContact O-CB 3.45Å; R185-A189 PolarHBondContact O-N 3.03Å; V186-A189 PolarHBondContact O-N 2.9Å; E187-A189 VanDerWaalsContact C-N 3.35Å; E187-A189 PolarHBondContact O-N 3.17Å; A189-C193 PolarHBondContact O-N 3.26Å; A189-C193 PolarHBondContact O-SG 3.08Å; A189-F216 HydrophobicContact CB-CD2 3.72Å; A189-F216 HydrophobicContact CB-CE2 3.74Å; A189-N219 HydrophobicContact CB-CB 3.69Å; A189-I220 HydrophobicContact CB-CB 4.14Å
190	L	96.6	Very high	93.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-73.7	-44	172.5	-68.8	168.6	0	0	0	111.3	V172 I175 V186 E187 T188 N192 C193 N194 L195 A197 I203 F216	V172-L190 HydrophobicContact CG1-CD1 3.6Å; I175-L190 HydrophobicContact CD1-CD2 4.1Å; V186-L190 HydrophobicContact CG1-CD1 4.12Å; V186-L190 WeakPolarHBondContact O-CG 3.33Å; V186-L190 PolarHBondContact O-N 3.44Å; E187-L190 PolarHBondContact O-N 3.19Å; T188-L190 VanDerWaalsContact C-N 3.33Å; L190-N192 PolarHBondContact O-N 3.21Å; L190-C193 CarbonylContact O-C 3.59Å; L190-C193 WeakPolarHBondContact O-CA 3.31Å; L190-C193 PolarHBondContact O-N 3.08Å; L190-N194 PolarHBondContact O-N 3.43Å; L190-L195 HydrophobicContact CB-CB 4.3Å; L190-L195 HydrophobicContact CD2-CB 4.13Å; L190-L195 HydrophobicContact CD2-CD1 3.85Å; L190-L195 PolarHBondContact O-N 2.76Å; L190-A197 HydrophobicContact CB-CB 3.98Å; L190-I203 HydrophobicContact CD2-CD1 4.31Å; L190-F216 HydrophobicContact CD2-CD2 3.86Å; L190-F216 HydrophobicContact CD2-CE2 3.91Å; L190-F216 HydrophobicContact CG-CD2 4.18Å; L190-F216 HydrophobicContact CG-CE2 3.93Å
191	E	96.1	Very high	93.8	Very high	110 Å²	110	63.4 Å²	63.4	51%	0.514	32%	0.316	S	S	.	.	H	α-helix	trans	-56	-47.5	174.7	-67.5	172.3	147.7	0	0	111.5	E187 T188 C193 N194 A197	E187-E191 WeakPolarHBondContact O-CG 3.28Å; E187-E191 PolarHBondContact O-N 2.96Å; E187-E191 VanDerWaalsContact O-N 3.08Å; T188-E191 WeakPolarHBondContact CA-OE2 3.4Å; T188-E191 PolarHBondContact O-N 2.95Å; E191-C193 PolarHBondContact O-N 3.35Å; E191-C193 VanDerWaalsContact O-N 3.17Å; E191-N194 PolarHBondContact O-N 2.88Å; E191-A197 HydrophobicContact CG-CB 3.8Å
192	N	95.9	Very high	94.1	Very high	90 Å²	90	64.4 Å²	64.4	48%	0.481	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.7	176	-75	0.8	0	0	0	113.7	T188 L190 N219	T188-N192 WeakPolarHBondContact O-CB 3.44Å; T188-N192 VanDerWaalsContact O-CG 3.26Å; T188-N192 PolarHBondContact O-N 3.24Å; T188-N192 PolarHBondContact O-OD1 3.03Å; L190-N192 PolarHBondContact O-N 3.21Å; N192-N219 PolarHBondContact ND2-OD1 2.83Å
193	C	95.1	Very high	94.4	Very high	8 Å²	8	62.8 Å²	62.8	5%	0.054	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	3	174.8	-63	0	0	0	0	113.2	A189 L190 E191 L195 V212 M215 F216	A189-C193 PolarHBondContact O-N 3.26Å; A189-C193 PolarHBondContact O-SG 3.08Å; L190-C193 CarbonylContact O-C 3.59Å; L190-C193 WeakPolarHBondContact O-CA 3.31Å; L190-C193 PolarHBondContact O-N 3.08Å; E191-C193 PolarHBondContact O-N 3.35Å; E191-C193 VanDerWaalsContact O-N 3.17Å; C193-L195 HydrophobicContact CB-CD1 3.89Å; C193-L195 HydrophobicContact CB-CG 3.87Å; C193-L195 PolarHBondContact O-N 3.15Å; C193-V212 HydrophobicContact CB-CG1 4.25Å; C193-M215 HydrophobicContact CB-CE 4.07Å; C193-F216 VanDerWaalsContact SG-CA 3.57Å; C193-F216 PolarHBondContact SG-N 3.31Å
194	N	94.9	Very high	94.6	Very high	152 Å²	152	59.4 Å²	59.4	81%	0.813	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	27.5	-170.8	-50	-86	0	0	0	113.7	L190 E191	L190-N194 PolarHBondContact O-N 3.43Å; E191-N194 PolarHBondContact O-N 2.88Å
195	L	95.3	Very high	94.6	Very high	17 Å²	17	54.8 Å²	54.8	9%	0.089	28%	0.284	C	S	.	.			trans	-98.9	152.6	-179.4	-63.6	177.3	0	0	0	112	L190 C193 A197 I203 D207 F208 V212	L190-L195 HydrophobicContact CB-CB 4.3Å; L190-L195 HydrophobicContact CD2-CB 4.13Å; L190-L195 HydrophobicContact CD2-CD1 3.85Å; L190-L195 PolarHBondContact O-N 2.76Å; C193-L195 HydrophobicContact CB-CD1 3.89Å; C193-L195 HydrophobicContact CB-CG 3.87Å; C193-L195 PolarHBondContact O-N 3.15Å; L195-A197 PolarHBondContact O-N 3.49Å; L195-I203 HydrophobicContact CB-CD1 4.24Å; L195-I203 HydrophobicContact CD1-CD1 4.21Å; L195-I203 HydrophobicContact CD2-CG2 3.9Å; L195-D207 HydrophobicContact CD2-CB 4.41Å; L195-F208 HydrophobicContact CD1-CD2 3.78Å; L195-F208 HydrophobicContact CD1-CE2 3.94Å; L195-V212 HydrophobicContact CD1-CG1 3.78Å; L195-V212 HydrophobicContact CD2-CG1 4.28Å; L195-V212 HydrophobicContact CG-CG1 4.24Å
196	P	94.1	Very high	94.7	Very high	47 Å²	47	58.4 Å²	58.4	31%	0.305	30%	0.304	S	S	.	.			trans	-55.9	123.6	170.2	-23.9	33.2	0	0	0	112.1	V172 D201 I203	V172-P196 HydrophobicContact CG2-CB 4.49Å; V172-P196 WeakPolarHBondContact CG2-O 3.44Å; P196-D201 HydrophobicContact CB-CB 3.74Å; P196-I203 HydrophobicContact CG-CG1 4.47Å
197	A	92.9	Very high	94.7	Very high	12 Å²	12	62.5 Å²	62.5	10%	0.099	33%	0.326	C	S	.	.			trans	-107.3	-10.5	-175.6	0	0	0	0	0	113.9	F176 E187 L190 E191 L195	F176-A197 VanDerWaalsContact CE2-O 3.31Å; F176-A197 WeakPolarHBondContact CE2-O 3.38Å; F176-A197 VanDerWaalsContact CZ-O 3.26Å; F176-A197 WeakPolarHBondContact CZ-O 3.43Å; E187-A197 HydrophobicContact CG-CB 4.22Å; L190-A197 HydrophobicContact CB-CB 3.98Å; E191-A197 HydrophobicContact CG-CB 3.8Å; L195-A197 PolarHBondContact O-N 3.49Å
198	G	92.1	Very high	94.7	Very high	23 Å²	23	59.8 Å²	59.8	24%	0.237	31%	0.313	C	S	.	.	S	Bend	trans	-65.3	141.2	179.4	0	0	0	0	0	111.9	V172 N200 D201	V172-G198 WeakPolarHBondContact CB-O 3.24Å; G198-N200 PolarHBondContact O-N 3.37Å; G198-N200 VanDerWaalsContact O-N 3.09Å; G198-D201 VanDerWaalsContact CA-CG 3.42Å; G198-D201 WeakPolarHBondContact CA-OD2 3.27Å; G198-D201 PolarHBondContact N-OD2 3.41Å; G198-D201 WeakPolarHBondContact O-CB 3.44Å; G198-D201 PolarHBondContact O-N 3.44Å
199	R	89.3	Confident	94.6	Very high	170 Å²	170	58.5 Å²	58.5	64%	0.642	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-31.1	-174.1	-178.5	176.6	175.9	178.5	-0.5	114	K173 F176	K173-R199 WeakPolarHBondContact CB-O 3.38Å; K173-R199 PolarHBondContact N-O 3.38Å; F176-R199 HydrophobicContact CE2-CB 4.48Å
200	N	92.8	Very high	94.5	Very high	146 Å²	146	61.4 Å²	61.4	78%	0.781	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	1.2	-175.9	-62.8	-15.4	0	0	0	112.7	G198	G198-N200 PolarHBondContact O-N 3.37Å; G198-N200 VanDerWaalsContact O-N 3.09Å
201	D	95	Very high	94.2	Very high	71 Å²	71	67.3 Å²	67.3	38%	0.38	35%	0.351	S	S	.	.			trans	-75	168.5	-176.5	-55.1	1.3	0	0	0	110.6	V172 P196 G198	V172-D201 HydrophobicContact CG2-CB 3.92Å; V172-D201 WeakPolarHBondContact CG2-O 3.49Å; V172-D201 PolarHBondContact N-O 3.31Å; P196-D201 HydrophobicContact CB-CB 3.74Å; G198-D201 VanDerWaalsContact CA-CG 3.42Å; G198-D201 WeakPolarHBondContact CA-OD2 3.27Å; G198-D201 PolarHBondContact N-OD2 3.41Å; G198-D201 WeakPolarHBondContact O-CB 3.44Å; G198-D201 PolarHBondContact O-N 3.44Å
202	S	95.9	Very high	94.2	Very high	31 Å²	31	63.4 Å²	63.4	22%	0.217	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.3	173.4	62.8	0	0	0	0	111.8	R169 I170	R169-S202 WeakPolarHBondContact CD-OG 3.38Å; I170-S202 CarbonylContact O-C 3.51Å; I170-S202 VanDerWaalsContact O-CA 3.29Å; I170-S202 WeakPolarHBondContact O-CA 3.32Å
203	I	96.5	Very high	94.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130	-175.9	-42.5	-176.3	0	0	0	108.7	R169 I170 V172 I175 L190 L195 P196 D207 F208	R169-I203 WeakPolarHBondContact CB-O 3.49Å; I170-I203 HydrophobicContact CB-CB 4.43Å; I170-I203 PolarHBondContact N-O 3.29Å; I170-I203 PolarHBondContact O-N 3.18Å; V172-I203 HydrophobicContact CG2-CD1 4.08Å; V172-I203 HydrophobicContact CG2-CG1 3.7Å; I175-I203 HydrophobicContact CD1-CD1 3.74Å; L190-I203 HydrophobicContact CD2-CD1 4.31Å; L195-I203 HydrophobicContact CB-CD1 4.24Å; L195-I203 HydrophobicContact CD1-CD1 4.21Å; L195-I203 HydrophobicContact CD2-CG2 3.9Å; P196-I203 HydrophobicContact CG-CG1 4.47Å; I203-D207 HydrophobicContact CG2-CB 4.21Å; I203-F208 HydrophobicContact CD1-CD2 4.27Å; I203-F208 HydrophobicContact CD1-CE2 4.5Å; I203-F208 HydrophobicContact CG2-CB 4.32Å
204	P	95.2	Very high	94.1	Very high	15 Å²	15	60.8 Å²	60.8	10%	0.097	32%	0.323	C	S	.	.			trans	-55.1	149.3	167	-23.5	35.5	0	0	0	111.8	E206 D207 F208	P204-E206 VanDerWaalsContact C-N 3.29Å; P204-E206 HydrophobicContact CB-CG 3.84Å; P204-E206 VanDerWaalsContact CB-OE2 3.25Å; P204-E206 WeakPolarHBondContact CB-OE2 3.38Å; P204-E206 PolarHBondContact O-N 3.38Å; P204-D207 HydrophobicContact CB-CB 4.48Å; P204-D207 WeakPolarHBondContact CB-OD2 3.5Å; P204-D207 VanDerWaalsContact CD-OD2 3.26Å; P204-D207 WeakPolarHBondContact CD-OD2 3.39Å; P204-D207 WeakPolarHBondContact CG-OD2 3.41Å; P204-D207 PolarHBondContact O-N 3.09Å; P204-F208 PolarHBondContact O-N 2.8Å
205	Q	93.1	Very high	94	Very high	66 Å²	66	57.5 Å²	57.5	31%	0.308	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.6	-177.1	-72.9	-173.8	66.6	0	0	112.4	K161 L164 G168 I170	K161-Q205 PolarHBondContact NZ-O 3.35Å; L164-Q205 VanDerWaalsContact CD1-NE2 3.27Å; L164-Q205 HydrophobicContact CD2-CG 3.89Å; G168-Q205 PolarHBondContact O-NE2 3.28Å; I170-Q205 HydrophobicContact CD1-CG 4.39Å; I170-Q205 HydrophobicContact CG1-CG 4.12Å
206	E	94.3	Very high	94.1	Very high	141 Å²	141	56.7 Å²	56.7	66%	0.659	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-37	174.4	53.6	-89.9	-132.4	0	0	112.3	P204 T209	P204-E206 VanDerWaalsContact C-N 3.29Å; P204-E206 HydrophobicContact CB-CG 3.84Å; P204-E206 VanDerWaalsContact CB-OE2 3.25Å; P204-E206 WeakPolarHBondContact CB-OE2 3.38Å; P204-E206 PolarHBondContact O-N 3.38Å; E206-T209 WeakPolarHBondContact O-CG2 3.26Å
207	D	94.8	Very high	94.1	Very high	85 Å²	85	55.4 Å²	55.4	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-25.5	178.7	-60.8	-24.8	0	0	0	112.4	L195 I203 P204 T209	L195-D207 HydrophobicContact CD2-CB 4.41Å; I203-D207 HydrophobicContact CG2-CB 4.21Å; P204-D207 HydrophobicContact CB-CB 4.48Å; P204-D207 WeakPolarHBondContact CB-OD2 3.5Å; P204-D207 VanDerWaalsContact CD-OD2 3.26Å; P204-D207 WeakPolarHBondContact CD-OD2 3.39Å; P204-D207 WeakPolarHBondContact CG-OD2 3.41Å; P204-D207 PolarHBondContact O-N 3.09Å; D207-T209 PolarHBondContact O-N 3.2Å
208	F	95.6	Very high	94.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-95.5	71.3	-179	-156.8	-110.1	0	0	0	111	Y157 L160 K161 I170 I175 L195 I203 P204 Y213	Y157-F208 HydrophobicContact CD2-CD1 4.05Å; Y157-F208 AromaticContact CD2-CE1 3.83Å; Y157-F208 HydrophobicContact CD2-CE1 3.83Å; Y157-F208 AromaticContact CE2-CD1 3.77Å; Y157-F208 HydrophobicContact CE2-CD1 3.77Å; Y157-F208 HydrophobicContact CE2-CE1 4.04Å; Y157-F208 WeakPolarHBondContact CE2-O 3.4Å; Y157-F208 PolarHBondContact OH-O 3.15Å; Y157-F208 VanDerWaalsContact OH-O 3.06Å; L160-F208 HydrophobicContact CB-CE1 4.34Å; L160-F208 HydrophobicContact CD1-CE1 4.08Å; L160-F208 HydrophobicContact CD1-CZ 4.13Å; K161-F208 PolarHBondContact NZ-O 3.04Å; I170-F208 HydrophobicContact CD1-CB 3.81Å; I170-F208 HydrophobicContact CD1-CD1 3.56Å; I170-F208 HydrophobicContact CD1-CE1 4.37Å; I170-F208 HydrophobicContact CD1-CG 3.91Å; I175-F208 HydrophobicContact CD1-CE2 4.23Å; I175-F208 HydrophobicContact CD1-CZ 4.25Å; L195-F208 HydrophobicContact CD1-CD2 3.78Å; L195-F208 HydrophobicContact CD1-CE2 3.94Å; I203-F208 HydrophobicContact CD1-CD2 4.27Å; I203-F208 HydrophobicContact CD1-CE2 4.5Å; I203-F208 HydrophobicContact CG2-CB 4.32Å; P204-F208 PolarHBondContact O-N 2.8Å; F208-Y213 AromaticContact CE1-CD2 3.92Å; F208-Y213 HydrophobicContact CE1-CD2 3.92Å; F208-Y213 AromaticContact CZ-CD2 3.62Å; F208-Y213 HydrophobicContact CZ-CD2 3.62Å; F208-Y213 HydrophobicContact CZ-CE2 4.29Å
209	T	95.5	Very high	94.2	Very high	42 Å²	42	60.1 Å²	60.1	26%	0.258	31%	0.314	S	S	.	.			trans	-80.6	167.5	177.5	84.2	0	0	0	0	112.2	E206 D207 E211 V212 Y213	E206-T209 WeakPolarHBondContact O-CG2 3.26Å; D207-T209 PolarHBondContact O-N 3.2Å; T209-E211 VanDerWaalsContact C-N 3.28Å; T209-E211 WeakPolarHBondContact CB-OE2 3.49Å; T209-E211 PolarHBondContact O-N 3.07Å; T209-E211 PolarHBondContact OG1-N 3Å; T209-E211 PolarHBondContact OG1-OE2 2.67Å; T209-V212 PolarHBondContact O-N 3.03Å; T209-V212 PolarHBondContact OG1-N 2.85Å; T209-Y213 WeakPolarHBondContact O-CB 3.22Å; T209-Y213 PolarHBondContact O-N 3.32Å
210	P	92.8	Very high	94.4	Very high	63 Å²	63	52 Å²	52	41%	0.409	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-37	174.6	-22.6	34.9	0	0	0	112.9	Y157 Y213 S214	Y157-P210 HydrophobicContact CE1-CG 4.13Å; Y157-P210 VanDerWaalsContact OH-CD 3.28Å; Y157-P210 WeakPolarHBondContact OH-CD 3.41Å; P210-Y213 WeakPolarHBondContact O-CB 3.47Å; P210-Y213 PolarHBondContact O-N 2.82Å; P210-S214 PolarHBondContact O-N 2.71Å; P210-S214 PolarHBondContact O-OG 2.75Å
211	E	91.9	Very high	94.4	Very high	124 Å²	124	45.5 Å²	45.5	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-68.1	-42.7	180	-54	69.7	-147.5	0	0	110.9	T209 Y213 S214 M215	T209-E211 VanDerWaalsContact C-N 3.28Å; T209-E211 WeakPolarHBondContact CB-OE2 3.49Å; T209-E211 PolarHBondContact O-N 3.07Å; T209-E211 PolarHBondContact OG1-N 3Å; T209-E211 PolarHBondContact OG1-OE2 2.67Å; E211-Y213 VanDerWaalsContact C-N 3.3Å; E211-Y213 PolarHBondContact O-N 3Å; E211-S214 PolarHBondContact O-N 3.28Å; E211-M215 PolarHBondContact O-N 3.2Å
212	V	95.6	Very high	94.3	Very high	28 Å²	28	45.1 Å²	45.1	17%	0.17	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-37.3	173.5	177.8	0	0	0	0	110.5	C193 L195 T209 M215 F216	C193-V212 HydrophobicContact CB-CG1 4.25Å; L195-V212 HydrophobicContact CD1-CG1 3.78Å; L195-V212 HydrophobicContact CD2-CG1 4.28Å; L195-V212 HydrophobicContact CG-CG1 4.24Å; T209-V212 PolarHBondContact O-N 3.03Å; T209-V212 PolarHBondContact OG1-N 2.85Å; V212-M215 PolarHBondContact O-N 2.89Å; V212-F216 WeakPolarHBondContact O-CB 3.4Å; V212-F216 PolarHBondContact O-N 3.25Å
213	Y	95.7	Very high	94.2	Very high	8 Å²	8	45.6 Å²	45.6	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-42.2	174.1	-176.5	-111.9	0	0	0	112.9	A156 Y157 L160 F208 T209 P210 E211 M215 F216 L217	A156-Y213 WeakPolarHBondContact CB-OH 3.43Å; Y157-Y213 AromaticContact CD2-CD1 3.94Å; Y157-Y213 HydrophobicContact CD2-CD1 3.94Å; Y157-Y213 HydrophobicContact CD2-CD2 4.04Å; Y157-Y213 AromaticContact CD2-CG 3.62Å; Y157-Y213 HydrophobicContact CD2-CG 3.62Å; Y157-Y213 HydrophobicContact CE2-CG 4.41Å; Y157-Y213 HydrophobicContact CG-CD1 4.13Å; Y157-Y213 HydrophobicContact CG-CE1 4.49Å; Y157-Y213 HydrophobicContact CG-CG 4.27Å; L160-Y213 HydrophobicContact CD1-CE2 4.11Å; F208-Y213 AromaticContact CE1-CD2 3.92Å; F208-Y213 HydrophobicContact CE1-CD2 3.92Å; F208-Y213 AromaticContact CZ-CD2 3.62Å; F208-Y213 HydrophobicContact CZ-CD2 3.62Å; F208-Y213 HydrophobicContact CZ-CE2 4.29Å; T209-Y213 WeakPolarHBondContact O-CB 3.22Å; T209-Y213 PolarHBondContact O-N 3.32Å; P210-Y213 WeakPolarHBondContact O-CB 3.47Å; P210-Y213 PolarHBondContact O-N 2.82Å; E211-Y213 VanDerWaalsContact C-N 3.3Å; E211-Y213 PolarHBondContact O-N 3Å; Y213-M215 VanDerWaalsContact C-N 3.32Å; Y213-M215 PolarHBondContact O-N 3.42Å; Y213-F216 HydrophobicContact CD2-CD1 4.18Å; Y213-F216 HydrophobicContact CE2-CD1 4.2Å; Y213-F216 WeakPolarHBondContact O-CB 3.49Å; Y213-F216 PolarHBondContact O-N 3.24Å; Y213-L217 HydrophobicContact CD1-CD1 3.91Å; Y213-L217 HydrophobicContact CD1-CG 4.28Å; Y213-L217 HydrophobicContact CE1-CD1 3.43Å; Y213-L217 VanDerWaalsContact CE1-CD1 3.43Å; Y213-L217 HydrophobicContact CE1-CD2 4.42Å; Y213-L217 HydrophobicContact CE1-CG 3.92Å; Y213-L217 HydrophobicContact CE2-CD2 4.38Å; Y213-L217 HydrophobicContact CE2-CG 4.31Å; Y213-L217 WeakPolarHBondContact O-CB 3.27Å; Y213-L217 WeakPolarHBondContact O-CG 3.37Å; Y213-L217 PolarHBondContact O-N 2.83Å
214	S	92.7	Very high	94	Very high	36 Å²	36	48.3 Å²	48.3	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-35.1	174.5	-64.7	0	0	0	0	112.4	P210 E211 L217 S218	P210-S214 PolarHBondContact O-N 2.71Å; P210-S214 PolarHBondContact O-OG 2.75Å; E211-S214 PolarHBondContact O-N 3.28Å; S214-L217 PolarHBondContact O-N 2.93Å; S214-S218 WeakPolarHBondContact O-CB 3.37Å; S214-S218 PolarHBondContact O-N 2.75Å; S214-S218 PolarHBondContact O-OG 2.62Å
215	M	93.6	Very high	93.9	Very high	83 Å²	83	48.3 Å²	48.3	41%	0.409	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-42.3	172	-176.6	170.2	56.6	0	0	111.6	C193 E211 V212 Y213 S218 N219	C193-M215 HydrophobicContact CB-CE 4.07Å; E211-M215 PolarHBondContact O-N 3.2Å; V212-M215 PolarHBondContact O-N 2.89Å; Y213-M215 VanDerWaalsContact C-N 3.32Å; Y213-M215 PolarHBondContact O-N 3.42Å; M215-S218 PolarHBondContact O-N 2.89Å; M215-N219 PolarHBondContact O-N 2.8Å; M215-N219 PolarHBondContact O-ND2 3.03Å
216	F	96.3	Very high	94	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-46.3	172.6	166.3	-96.7	0	0	0	111.6	I175 F179 V186 A189 L190 C193 V212 Y213 S218 N219 I220	I175-F216 HydrophobicContact CG2-CE1 4.29Å; I175-F216 HydrophobicContact CG2-CE2 4.31Å; I175-F216 HydrophobicContact CG2-CZ 3.73Å; F179-F216 AromaticContact CD2-CE1 4Å; F179-F216 HydrophobicContact CD2-CE1 4Å; F179-F216 HydrophobicContact CD2-CZ 4.11Å; F179-F216 AromaticContact CE2-CE1 3.78Å; F179-F216 HydrophobicContact CE2-CE1 3.78Å; F179-F216 HydrophobicContact CE2-CZ 4.35Å; F179-F216 HydrophobicContact CZ-CE1 4.27Å; V186-F216 HydrophobicContact CG1-CE2 4.22Å; V186-F216 HydrophobicContact CG1-CZ 4.23Å; A189-F216 HydrophobicContact CB-CD2 3.72Å; A189-F216 HydrophobicContact CB-CE2 3.74Å; L190-F216 HydrophobicContact CD2-CD2 3.86Å; L190-F216 HydrophobicContact CD2-CE2 3.91Å; L190-F216 HydrophobicContact CG-CD2 4.18Å; L190-F216 HydrophobicContact CG-CE2 3.93Å; C193-F216 VanDerWaalsContact SG-CA 3.57Å; C193-F216 PolarHBondContact SG-N 3.31Å; V212-F216 WeakPolarHBondContact O-CB 3.4Å; V212-F216 PolarHBondContact O-N 3.25Å; Y213-F216 HydrophobicContact CD2-CD1 4.18Å; Y213-F216 HydrophobicContact CE2-CD1 4.2Å; Y213-F216 WeakPolarHBondContact O-CB 3.49Å; Y213-F216 PolarHBondContact O-N 3.24Å; F216-S218 VanDerWaalsContact C-N 3.32Å; F216-S218 PolarHBondContact O-N 2.78Å; F216-N219 PolarHBondContact O-N 2.92Å; F216-I220 HydrophobicContact CE1-CG2 4.33Å; F216-I220 HydrophobicContact CZ-CD1 4.09Å; F216-I220 WeakPolarHBondContact O-CG2 3.32Å; F216-I220 PolarHBondContact O-N 2.81Å
217	L	94.9	Very high	93.9	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-39.9	176.4	-75.9	-176.8	0	0	0	112.3	L153 F179 Y213 S214 I220 C221 F718	L153-L217 HydrophobicContact CB-CD1 4.25Å; L153-L217 HydrophobicContact CD1-CD1 4.14Å; L153-L217 HydrophobicContact CD2-CD1 3.98Å; L153-L217 HydrophobicContact CG-CD1 4.34Å; F179-L217 HydrophobicContact CE1-CD2 4.2Å; F179-L217 HydrophobicContact CZ-CD2 3.99Å; Y213-L217 HydrophobicContact CD1-CD1 3.91Å; Y213-L217 HydrophobicContact CD1-CG 4.28Å; Y213-L217 HydrophobicContact CE1-CD1 3.43Å; Y213-L217 VanDerWaalsContact CE1-CD1 3.43Å; Y213-L217 HydrophobicContact CE1-CD2 4.42Å; Y213-L217 HydrophobicContact CE1-CG 3.92Å; Y213-L217 HydrophobicContact CE2-CD2 4.38Å; Y213-L217 HydrophobicContact CE2-CG 4.31Å; Y213-L217 WeakPolarHBondContact O-CB 3.27Å; Y213-L217 WeakPolarHBondContact O-CG 3.37Å; Y213-L217 PolarHBondContact O-N 2.83Å; S214-L217 PolarHBondContact O-N 2.93Å; L217-I220 HydrophobicContact CD2-CG2 4.41Å; L217-I220 WeakPolarHBondContact O-CG2 3.38Å; L217-I220 PolarHBondContact O-N 2.98Å; L217-C221 WeakPolarHBondContact O-CB 3.29Å; L217-C221 PolarHBondContact O-N 3.09Å; L217-F718 HydrophobicContact CD2-CE2 4.18Å; L217-F718 HydrophobicContact CD2-CZ 3.93Å
218	S	92.6	Very high	93.7	Very high	80 Å²	80	43.9 Å²	43.9	56%	0.559	25%	0.248	S	C	*	.	H	α-helix	trans	-66	-38.2	176.3	-59.1	0	0	0	0	112.4	S214 M215 F216 C221	S214-S218 WeakPolarHBondContact O-CB 3.37Å; S214-S218 PolarHBondContact O-N 2.75Å; S214-S218 PolarHBondContact O-OG 2.62Å; M215-S218 PolarHBondContact O-N 2.89Å; F216-S218 VanDerWaalsContact C-N 3.32Å; F216-S218 PolarHBondContact O-N 2.78Å; S218-C221 CarbonylContact O-C 3.51Å
219	N	93.8	Very high	93.6	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-68.5	-42.9	175.7	-80.4	-78.5	0	0	0	112.3	A189 N192 M215 F216	A189-N219 HydrophobicContact CB-CB 3.69Å; N192-N219 PolarHBondContact ND2-OD1 2.83Å; M215-N219 PolarHBondContact O-N 2.8Å; M215-N219 PolarHBondContact O-ND2 3.03Å; F216-N219 PolarHBondContact O-N 2.92Å
220	I	94.1	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-79.7	-21.8	-179.7	-161.6	-179.9	0	0	0	113.4	F179 R185 V186 A189 F216 L217 F718 I754	F179-I220 HydrophobicContact CB-CD1 3.66Å; F179-I220 HydrophobicContact CD1-CD1 4.02Å; F179-I220 HydrophobicContact CG-CD1 3.89Å; R185-I220 WeakPolarHBondContact CD-O 3.4Å; R185-I220 HydrophobicContact CG-CG1 4.16Å; R185-I220 PolarHBondContact NE-O 3.06Å; R185-I220 PolarHBondContact NH1-O 2.99Å; R185-I220 PolarHBondContact NH2-O 3.47Å; V186-I220 HydrophobicContact CB-CD1 4.43Å; V186-I220 HydrophobicContact CG2-CD1 3.51Å; A189-I220 HydrophobicContact CB-CB 4.14Å; F216-I220 HydrophobicContact CE1-CG2 4.33Å; F216-I220 HydrophobicContact CZ-CD1 4.09Å; F216-I220 WeakPolarHBondContact O-CG2 3.32Å; F216-I220 PolarHBondContact O-N 2.81Å; L217-I220 HydrophobicContact CD2-CG2 4.41Å; L217-I220 WeakPolarHBondContact O-CG2 3.38Å; L217-I220 PolarHBondContact O-N 2.98Å; I220-F718 HydrophobicContact CG2-CE1 4.04Å; I220-F718 HydrophobicContact CG2-CZ 4.02Å; I220-I754 VanDerWaalsContact O-CG2 3.27Å; I220-I754 WeakPolarHBondContact O-CG2 3.34Å
221	C	93.2	Very high	93.5	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.061	24%	0.237	C	C	.	.	S	Bend	trans	-135.2	79.4	-176.6	-164.5	0	0	0	0	110.7	L217 S218 R223 F718	L217-C221 WeakPolarHBondContact O-CB 3.29Å; L217-C221 PolarHBondContact O-N 3.09Å; S218-C221 CarbonylContact O-C 3.51Å; C221-R223 WeakPolarHBondContact O-CG 3.26Å; C221-F718 HydrophobicContact CB-CE1 4.09Å; C221-F718 HydrophobicContact CB-CE2 4.42Å; C221-F718 HydrophobicContact CB-CZ 3.66Å
222	S	91.4	Very high	93.4	Very high	62 Å²	62	41.1 Å²	41.1	43%	0.434	23%	0.233	S	C	.	.			trans	-68.8	144	175.3	52.2	0	0	0	0	112.1	R185 N755	R185-S222 PolarHBondContact NH2-OG 3.41Å; S222-N755 PolarHBondContact O-ND2 3.27Å; S222-N755 PolarHBondContact OG-ND2 3.09Å
223	R	93.8	Very high	93.2	Very high	42 Å²	42	41.3 Å²	41.3	16%	0.158	23%	0.233	C	C	.	.			trans	-130.1	54.4	-163.8	-58.4	-58.7	-54.6	-65	-3	114.8	C221 E225 L226 Y804	C221-R223 WeakPolarHBondContact O-CG 3.26Å; R223-E225 WeakPolarHBondContact CA-OE2 3.21Å; R223-E225 IonicContact CZ-OE1 3.51Å; R223-E225 IonicContact NE-OE1 2.66Å; R223-E225 PolarHBondContact NE-OE1 3.4Å; R223-E225 IonicContact NE-OE2 2.93Å; R223-E225 IonicContact NH2-OE1 2.69Å; R223-E225 PolarHBondContact NH2-OE1 2.92Å; R223-E225 PolarHBondContact O-N 3Å; R223-L226 HydrophobicContact CB-CB 4.42Å; R223-L226 HydrophobicContact CB-CD1 3.97Å; R223-L226 HydrophobicContact CB-CG 4.07Å; R223-L226 HydrophobicContact CG-CD1 4.37Å; R223-L226 WeakPolarHBondContact O-CB 3.44Å; R223-L226 PolarHBondContact O-N 2.72Å; R223-Y804 PolarHBondContact NH1-OH 3.31Å; R223-Y804 PolarHBondContact NH2-OH 2.87Å; R223-Y804 VanDerWaalsContact NH2-OH 3.16Å
224	P	92.8	Very high	92.6	Very high	56 Å²	56	42.2 Å²	42.2	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-18.7	-174.3	30	-37.6	0	0	0	114	L226 D227 N228 L757	P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 PolarHBondContact O-N 3.33Å; P224-D227 WeakPolarHBondContact CA-OD2 3.16Å; P224-N228 PolarHBondContact O-N 2.69Å; P224-N228 PolarHBondContact O-ND2 3.29Å; P224-L757 HydrophobicContact CG-CD1 3.85Å
225	E	94	Very high	92	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-28.2	173.4	77.4	-80.8	-154.7	0	0	112.7	R223 I229 V714 S715 L757 F821	R223-E225 WeakPolarHBondContact CA-OE2 3.21Å; R223-E225 IonicContact CZ-OE1 3.51Å; R223-E225 IonicContact NE-OE1 2.66Å; R223-E225 PolarHBondContact NE-OE1 3.4Å; R223-E225 IonicContact NE-OE2 2.93Å; R223-E225 IonicContact NH2-OE1 2.69Å; R223-E225 PolarHBondContact NH2-OE1 2.92Å; R223-E225 PolarHBondContact O-N 3Å; E225-I229 VanDerWaalsContact O-CD1 3.31Å; E225-I229 WeakPolarHBondContact O-CD1 3.21Å; E225-I229 VanDerWaalsContact O-CG1 3.28Å; E225-I229 WeakPolarHBondContact O-CG1 3.15Å; E225-I229 PolarHBondContact O-N 3.48Å; E225-V714 HydrophobicContact CB-CG1 3.88Å; E225-V714 HydrophobicContact CG-CG1 3.85Å; E225-S715 VanDerWaalsContact OE1-CB 3.26Å; E225-S715 WeakPolarHBondContact OE1-CB 3.25Å; E225-S715 PolarHBondContact OE1-OG 2.88Å; E225-L757 HydrophobicContact CB-CD2 3.88Å; E225-L757 HydrophobicContact CG-CD2 4.23Å; E225-F821 HydrophobicContact CG-CD1 3.98Å; E225-F821 HydrophobicContact CG-CE1 4.09Å
226	L	94.4	Very high	91.3	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-76.9	-38.1	179.4	-61.9	-173.1	0	0	0	111.6	R223 P224 N228 I229 F230 M293 A297 L300 F821	R223-L226 HydrophobicContact CB-CB 4.42Å; R223-L226 HydrophobicContact CB-CD1 3.97Å; R223-L226 HydrophobicContact CB-CG 4.07Å; R223-L226 HydrophobicContact CG-CD1 4.37Å; R223-L226 WeakPolarHBondContact O-CB 3.44Å; R223-L226 PolarHBondContact O-N 2.72Å; P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 PolarHBondContact O-N 3.33Å; L226-N228 VanDerWaalsContact C-N 3.26Å; L226-N228 PolarHBondContact O-N 2.78Å; L226-I229 HydrophobicContact CD2-CD1 4.32Å; L226-I229 PolarHBondContact O-N 3.19Å; L226-I229 VanDerWaalsContact O-N 3.16Å; L226-F230 WeakPolarHBondContact O-CB 3.3Å; L226-F230 PolarHBondContact O-N 2.78Å; L226-M293 HydrophobicContact CB-CE 3.47Å; L226-M293 VanDerWaalsContact CB-CE 3.47Å; L226-A297 HydrophobicContact CD1-CB 4.09Å; L226-L300 HydrophobicContact CD2-CD1 3.86Å; L226-F821 HydrophobicContact CD2-CD1 4.28Å; L226-F821 HydrophobicContact CD2-CE1 3.46Å; L226-F821 VanDerWaalsContact CD2-CE1 3.46Å; L226-F821 HydrophobicContact CD2-CE2 4.28Å; L226-F821 HydrophobicContact CD2-CZ 3.46Å; L226-F821 VanDerWaalsContact CD2-CZ 3.46Å
227	D	91.8	Very high	90.2	Very high	83 Å²	83	50.5 Å²	50.5	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-39.8	174.2	-58.6	-64.8	0	0	0	111.3	P224 S231	P224-D227 WeakPolarHBondContact CA-OD2 3.16Å; D227-S231 WeakPolarHBondContact O-CB 3.31Å; D227-S231 PolarHBondContact O-N 2.84Å; D227-S231 PolarHBondContact O-OG 3.38Å
228	N	91.9	Very high	89.6	Confident	112 Å²	112	56 Å²	56	60%	0.599	31%	0.31	S	S	*	.	H	α-helix	trans	-63.2	-44.5	174.1	-73.3	-27.9	0	0	0	112.2	P224 L226 S231 E232	P224-N228 PolarHBondContact O-N 2.69Å; P224-N228 PolarHBondContact O-ND2 3.29Å; L226-N228 VanDerWaalsContact C-N 3.26Å; L226-N228 PolarHBondContact O-N 2.78Å; N228-S231 WeakPolarHBondContact O-CB 3.3Å; N228-S231 PolarHBondContact O-N 3.11Å; N228-E232 PolarHBondContact O-N 3.01Å
229	I	93.4	Very high	89.4	Confident	9 Å²	9	57.2 Å²	57.2	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-67.3	-43.5	179.2	-66.9	159.3	0	0	0	111.1	E225 L226 S231 E232 V233 F296 Y802 F821	E225-I229 VanDerWaalsContact O-CD1 3.31Å; E225-I229 WeakPolarHBondContact O-CD1 3.21Å; E225-I229 VanDerWaalsContact O-CG1 3.28Å; E225-I229 WeakPolarHBondContact O-CG1 3.15Å; E225-I229 PolarHBondContact O-N 3.48Å; L226-I229 HydrophobicContact CD2-CD1 4.32Å; L226-I229 PolarHBondContact O-N 3.19Å; L226-I229 VanDerWaalsContact O-N 3.16Å; I229-S231 VanDerWaalsContact C-N 3.25Å; I229-S231 PolarHBondContact O-N 2.9Å; I229-E232 WeakPolarHBondContact O-CB 3.36Å; I229-E232 PolarHBondContact O-N 2.89Å; I229-E232 VanDerWaalsContact O-N 3.08Å; I229-V233 HydrophobicContact CG2-CG2 4.42Å; I229-V233 WeakPolarHBondContact O-CG2 3.45Å; I229-V233 PolarHBondContact O-N 3.16Å; I229-F296 HydrophobicContact CG2-CE1 4.07Å; I229-F296 HydrophobicContact CG2-CZ 4.05Å; I229-Y802 HydrophobicContact CD1-CD1 3.49Å; I229-Y802 VanDerWaalsContact CD1-CD1 3.49Å; I229-Y802 HydrophobicContact CD1-CE1 3.37Å; I229-Y802 HydrophobicContact CD1-CG 4.28Å; I229-Y802 HydrophobicContact CG1-CD1 4.23Å; I229-Y802 HydrophobicContact CG1-CE1 3.66Å; I229-Y802 HydrophobicContact CG2-CD2 4.25Å; I229-Y802 HydrophobicContact CG2-CE1 4.39Å; I229-Y802 HydrophobicContact CG2-CE2 4.01Å; I229-F821 HydrophobicContact CD1-CE1 3.62Å; I229-F821 HydrophobicContact CD1-CZ 3.94Å
230	F	94	Very high	89.4	Confident	11 Å²	11	57.1 Å²	57.1	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-39.3	176.2	-166.1	-112.7	0	0	0	111.3	L226 G234 A235 L241 M293 F296	L226-F230 WeakPolarHBondContact O-CB 3.3Å; L226-F230 PolarHBondContact O-N 2.78Å; F230-G234 PolarHBondContact O-N 3.14Å; F230-A235 HydrophobicContact CD1-CB 3.29Å; F230-A235 HydrophobicContact CE1-CB 3.45Å; F230-A235 VanDerWaalsContact CE1-CB 3.45Å; F230-A235 HydrophobicContact CG-CB 3.98Å; F230-A235 HydrophobicContact CZ-CB 4.26Å; F230-A235 VanDerWaalsContact O-CB 3.25Å; F230-A235 WeakPolarHBondContact O-CB 3.43Å; F230-A235 PolarHBondContact O-N 2.96Å; F230-L241 HydrophobicContact CD2-CD1 3.59Å; F230-L241 HydrophobicContact CD2-CG 3.94Å; F230-L241 HydrophobicContact CE2-CB 4.35Å; F230-L241 HydrophobicContact CE2-CD1 3.6Å; F230-L241 HydrophobicContact CE2-CG 3.61Å; F230-L241 HydrophobicContact CG-CD1 4.49Å; F230-L241 HydrophobicContact CZ-CG 4.04Å; F230-M293 HydrophobicContact CB-CE 4.14Å; F230-M293 HydrophobicContact CB-SD 3.45Å; F230-M293 WeakPolarHBondContact CB-SD 3.49Å; F230-M293 HydrophobicContact CD1-SD 3.66Å; F230-M293 HydrophobicContact CD2-SD 3.95Å; F230-M293 HydrophobicContact CE1-CB 4.32Å; F230-M293 HydrophobicContact CE1-SD 4.31Å; F230-M293 HydrophobicContact CG-CE 4.43Å; F230-M293 HydrophobicContact CG-SD 3.44Å; F230-M293 WeakPolarHBondContact CG-SD 3.34Å; F230-M293 HydrophobicContact CZ-CB 4.46Å; F230-F296 HydrophobicContact CB-CD1 4.49Å; F230-F296 HydrophobicContact CD2-CB 3.86Å; F230-F296 AromaticContact CD2-CD1 3.73Å; F230-F296 HydrophobicContact CD2-CD1 3.73Å; F230-F296 HydrophobicContact CD2-CD2 4.34Å; F230-F296 HydrophobicContact CD2-CE1 4.33Å; F230-F296 AromaticContact CD2-CG 3.73Å; F230-F296 HydrophobicContact CD2-CG 3.73Å; F230-F296 HydrophobicContact CE2-CB 3.75Å; F230-F296 HydrophobicContact CE2-CD1 4.49Å; F230-F296 HydrophobicContact CE2-CG 4.08Å
231	S	92.1	Very high	89.4	Confident	49 Å²	49	57.1 Å²	57.1	34%	0.343	31%	0.312	S	S	.	.	H	α-helix	trans	-68.3	-36.3	172.5	-58.1	0	0	0	0	113.4	D227 N228 I229 K236	D227-S231 WeakPolarHBondContact O-CB 3.31Å; D227-S231 PolarHBondContact O-N 2.84Å; D227-S231 PolarHBondContact O-OG 3.38Å; N228-S231 WeakPolarHBondContact O-CB 3.3Å; N228-S231 PolarHBondContact O-N 3.11Å; I229-S231 VanDerWaalsContact C-N 3.25Å; I229-S231 PolarHBondContact O-N 2.9Å; S231-K236 VanDerWaalsContact O-CE 3.25Å; S231-K236 WeakPolarHBondContact O-CE 3.36Å; S231-K236 WeakPolarHBondContact O-CG 3.46Å
232	E	90.3	Very high	89.5	Confident	102 Å²	102	58 Å²	58	48%	0.477	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-48.7	174	-171.8	-172.6	139.8	0	0	111	N228 I229 G234 K253	N228-E232 PolarHBondContact O-N 3.01Å; I229-E232 WeakPolarHBondContact O-CB 3.36Å; I229-E232 PolarHBondContact O-N 2.89Å; I229-E232 VanDerWaalsContact O-N 3.08Å; E232-G234 PolarHBondContact O-N 2.78Å; E232-K253 IonicContact OE1-NZ 2.69Å; E232-K253 PolarHBondContact OE1-NZ 2.75Å
233	V	89.6	Confident	89.8	Confident	31 Å²	31	55.3 Å²	55.3	19%	0.188	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-27.7	-178.2	174.3	0	0	0	0	112.7	I229 L241 F249	I229-V233 HydrophobicContact CG2-CG2 4.42Å; I229-V233 WeakPolarHBondContact O-CG2 3.45Å; I229-V233 PolarHBondContact O-N 3.16Å; V233-L241 HydrophobicContact CB-CD1 4.12Å; V233-L241 HydrophobicContact CB-CD2 4.33Å; V233-L241 HydrophobicContact CG1-CD1 3.61Å; V233-L241 HydrophobicContact CG1-CD2 3.94Å; V233-L241 HydrophobicContact CG1-CG 4.43Å; V233-F249 HydrophobicContact CG1-CB 3.83Å; V233-F249 HydrophobicContact CG1-CD2 4.39Å; V233-F249 HydrophobicContact CG1-CG 4.25Å; V233-F249 HydrophobicContact CG2-CB 4.42Å; V233-F249 HydrophobicContact CG2-CD2 3.45Å; V233-F249 VanDerWaalsContact CG2-CD2 3.45Å; V233-F249 HydrophobicContact CG2-CE2 3.9Å; V233-F249 HydrophobicContact CG2-CG 4.07Å
234	G	83.8	Confident	89.8	Confident	27 Å²	27	59.2 Å²	59.2	28%	0.278	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	151.8	-2.5	168.1	0	0	0	0	0	116.9	F230 E232 K236	F230-G234 PolarHBondContact O-N 3.14Å; E232-G234 PolarHBondContact O-N 2.78Å; G234-K236 PolarHBondContact O-N 3.33Å
235	A	81.1	Confident	89.9	Confident	9 Å²	9	58.8 Å²	58.8	7%	0.074	31%	0.312	C	S	.	.			trans	-74	21.9	-175.5	0	0	0	0	0	114.9	F230 S237 R238 L241	F230-A235 HydrophobicContact CD1-CB 3.29Å; F230-A235 HydrophobicContact CE1-CB 3.45Å; F230-A235 VanDerWaalsContact CE1-CB 3.45Å; F230-A235 HydrophobicContact CG-CB 3.98Å; F230-A235 HydrophobicContact CZ-CB 4.26Å; F230-A235 VanDerWaalsContact O-CB 3.25Å; F230-A235 WeakPolarHBondContact O-CB 3.43Å; F230-A235 PolarHBondContact O-N 2.96Å; A235-S237 PolarHBondContact O-N 2.84Å; A235-R238 PolarHBondContact O-N 2.84Å; A235-R238 VanDerWaalsContact O-O 3.04Å; A235-L241 HydrophobicContact CB-CD2 3.93Å; A235-L241 HydrophobicContact CB-CG 4.36Å
236	K	77.9	Confident	90	Very high	167 Å²	167	58.1 Å²	58.1	73%	0.726	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.3	-167.9	-62.2	-178.5	-179.2	173	0	115.8	S231 G234	S231-K236 VanDerWaalsContact O-CE 3.25Å; S231-K236 WeakPolarHBondContact O-CE 3.36Å; S231-K236 WeakPolarHBondContact O-CG 3.46Å; G234-K236 PolarHBondContact O-N 3.33Å
237	S	73	Confident	90.1	Very high	117 Å²	117	58.6 Å²	58.6	82%	0.818	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.6	11.6	178.3	61.5	0	0	0	0	114	A235	A235-S237 PolarHBondContact O-N 2.84Å
238	R	82.6	Confident	90.3	Very high	134 Å²	134	61.1 Å²	61.1	51%	0.506	32%	0.321	S	S	.	.	S	Bend	trans	-136.8	138.8	-176.4	-64.2	-178.3	-179.3	178.9	0.7	109.5	A235 Y240	A235-R238 PolarHBondContact O-N 2.84Å; A235-R238 VanDerWaalsContact O-O 3.04Å; R238-Y240 HydrophobicContact CB-CE1 4.36Å; R238-Y240 PolarHBondContact O-N 2.91Å
239	P	89	Confident	90.5	Very high	107 Å²	107	56 Å²	56	70%	0.695	29%	0.294	S	S	*	.	S	Bend	trans	-77.4	19.4	-179.3	33.8	-36.4	0	0	0	113.8
240	Y	93.4	Very high	90.6	Very high	52 Å²	52	56.1 Å²	56.1	20%	0.204	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	154.1	-177.7	58.9	-98.1	0	0	0	110.9	R238 T242 Q290 I291	R238-Y240 HydrophobicContact CB-CE1 4.36Å; R238-Y240 PolarHBondContact O-N 2.91Å; Y240-T242 HydrophobicContact CE2-CG2 4.47Å; Y240-Q290 HydrophobicContact CD2-CB 4.05Å; Y240-Q290 HydrophobicContact CD2-CG 3.68Å; Y240-Q290 HydrophobicContact CE2-CG 3.93Å; Y240-Q290 HydrophobicContact CG-CB 4.19Å; Y240-Q290 HydrophobicContact CG-CG 4.24Å; Y240-I291 CarbonylContact C-O 3.6Å; Y240-I291 VanDerWaalsContact CA-O 3.22Å; Y240-I291 WeakPolarHBondContact CA-O 3.44Å; Y240-I291 WeakPolarHBondContact CB-O 3.37Å
241	L	94.8	Very high	90.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	153.6	161.9	-66.4	171.7	0	0	0	109.7	F230 V233 A235 Q245 Q290 I291 F296	F230-L241 HydrophobicContact CD2-CD1 3.59Å; F230-L241 HydrophobicContact CD2-CG 3.94Å; F230-L241 HydrophobicContact CE2-CB 4.35Å; F230-L241 HydrophobicContact CE2-CD1 3.6Å; F230-L241 HydrophobicContact CE2-CG 3.61Å; F230-L241 HydrophobicContact CG-CD1 4.49Å; F230-L241 HydrophobicContact CZ-CG 4.04Å; V233-L241 HydrophobicContact CB-CD1 4.12Å; V233-L241 HydrophobicContact CB-CD2 4.33Å; V233-L241 HydrophobicContact CG1-CD1 3.61Å; V233-L241 HydrophobicContact CG1-CD2 3.94Å; V233-L241 HydrophobicContact CG1-CG 4.43Å; A235-L241 HydrophobicContact CB-CD2 3.93Å; A235-L241 HydrophobicContact CB-CG 4.36Å; L241-Q245 HydrophobicContact CB-CB 4.43Å; L241-Q245 HydrophobicContact CD2-CB 4.26Å; L241-Q290 WeakPolarHBondContact O-CA 3.43Å; L241-I291 HydrophobicContact CB-CG2 3.88Å; L241-I291 PolarHBondContact N-O 2.71Å; L241-I291 PolarHBondContact O-N 2.8Å; L241-F296 HydrophobicContact CD1-CD2 4.25Å; L241-F296 HydrophobicContact CD1-CE2 4.38Å
242	T	95.3	Very high	90.7	Very high	27 Å²	27	59 Å²	59	17%	0.166	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	164.1	170.2	75.8	0	0	0	0	112.1	Y240 E244 Q245 M246 G289	Y240-T242 HydrophobicContact CE2-CG2 4.47Å; T242-E244 WeakPolarHBondContact CB-OE2 3.38Å; T242-E244 PolarHBondContact O-N 2.96Å; T242-E244 PolarHBondContact OG1-N 2.93Å; T242-E244 PolarHBondContact OG1-OE2 3.18Å; T242-Q245 PolarHBondContact O-N 3.05Å; T242-Q245 PolarHBondContact OG1-N 2.85Å; T242-M246 PolarHBondContact O-N 2.81Å; T242-G289 CarbonylContact C-O 3.56Å; T242-G289 WeakPolarHBondContact CA-O 3.34Å
243	V	96	Very high	90.9	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-54.6	-37.3	173.6	162	0	0	0	0	112.1	M246 T247 P269 V272 Q273 V276 G289	V243-M246 PolarHBondContact O-N 2.58Å; V243-T247 VanDerWaalsContact O-CB 3.29Å; V243-T247 WeakPolarHBondContact O-CB 3.42Å; V243-T247 PolarHBondContact O-N 3.05Å; V243-T247 PolarHBondContact O-OG1 3.29Å; V243-P269 HydrophobicContact CG1-CB 3.91Å; V243-P269 WeakPolarHBondContact CG1-O 3.39Å; V243-V272 HydrophobicContact CG1-CB 4.27Å; V243-V272 HydrophobicContact CG1-CG1 4.3Å; V243-Q273 HydrophobicContact CG2-CB 4.4Å; V243-V276 HydrophobicContact CG2-CG2 3.87Å; V243-G289 PolarHBondContact N-O 3.06Å
244	E	95.1	Very high	91.1	Very high	124 Å²	124	55.9 Å²	55.9	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-64.8	-46.2	177.4	-57.2	74.1	-161.1	0	0	111.3	T242 M246 T247 E248	T242-E244 WeakPolarHBondContact CB-OE2 3.38Å; T242-E244 PolarHBondContact O-N 2.96Å; T242-E244 PolarHBondContact OG1-N 2.93Å; T242-E244 PolarHBondContact OG1-OE2 3.18Å; E244-M246 VanDerWaalsContact C-N 3.33Å; E244-M246 PolarHBondContact O-N 3.15Å; E244-T247 WeakPolarHBondContact O-CB 3.32Å; E244-T247 PolarHBondContact O-N 2.83Å; E244-T247 VanDerWaalsContact O-N 3.17Å; E244-E248 PolarHBondContact O-N 3.33Å
245	Q	95.3	Very high	91.6	Very high	46 Å²	46	56.9 Å²	56.9	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-38.8	177.1	-61.9	178.1	-66.6	0	0	111.5	L241 T242 T247 E248 F249	L241-Q245 HydrophobicContact CB-CB 4.43Å; L241-Q245 HydrophobicContact CD2-CB 4.26Å; T242-Q245 PolarHBondContact O-N 3.05Å; T242-Q245 PolarHBondContact OG1-N 2.85Å; Q245-T247 VanDerWaalsContact C-N 3.34Å; Q245-E248 PolarHBondContact O-N 3.11Å; Q245-F249 WeakPolarHBondContact O-CB 3.48Å; Q245-F249 PolarHBondContact O-N 2.81Å
246	M	95.4	Very high	92.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-35.6	174.4	-168.1	64.3	177.5	0	0	111.8	T242 V243 E244 F249 I250 V272 I291 F296 Y299	T242-M246 PolarHBondContact O-N 2.81Å; V243-M246 PolarHBondContact O-N 2.58Å; E244-M246 VanDerWaalsContact C-N 3.33Å; E244-M246 PolarHBondContact O-N 3.15Å; M246-F249 HydrophobicContact CE-CD1 4.4Å; M246-F249 PolarHBondContact O-N 3.15Å; M246-F249 HydrophobicContact SD-CD1 4.02Å; M246-I250 HydrophobicContact CE-CD1 4.19Å; M246-I250 HydrophobicContact CE-CG1 4.44Å; M246-I250 HydrophobicContact CG-CD1 4.08Å; M246-I250 WeakPolarHBondContact O-CB 3.28Å; M246-I250 VanDerWaalsContact O-CG1 3.24Å; M246-I250 WeakPolarHBondContact O-CG1 3.47Å; M246-I250 PolarHBondContact O-N 2.85Å; M246-V272 HydrophobicContact CB-CG1 3.82Å; M246-V272 HydrophobicContact CG-CG1 3.69Å; M246-I291 HydrophobicContact CE-CD1 4.47Å; M246-F296 HydrophobicContact CE-CD2 4.08Å; M246-F296 HydrophobicContact CE-CE2 4.35Å; M246-F296 HydrophobicContact SD-CD2 3.93Å; M246-F296 HydrophobicContact SD-CE2 4.08Å; M246-Y299 HydrophobicContact CE-CD1 3.38Å; M246-Y299 HydrophobicContact CE-CD2 3.91Å; M246-Y299 HydrophobicContact CE-CE1 3.74Å; M246-Y299 HydrophobicContact CE-CE2 4.21Å; M246-Y299 HydrophobicContact CE-CG 3.48Å; M246-Y299 VanDerWaalsContact CE-CG 3.48Å
247	T	96.6	Very high	92.8	Very high	15 Å²	15	53.1 Å²	53.1	9%	0.092	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-44.2	175.3	-57.6	0	0	0	0	111.1	V243 E244 Q245 N251 L267 P269 V272	V243-T247 VanDerWaalsContact O-CB 3.29Å; V243-T247 WeakPolarHBondContact O-CB 3.42Å; V243-T247 PolarHBondContact O-N 3.05Å; V243-T247 PolarHBondContact O-OG1 3.29Å; E244-T247 WeakPolarHBondContact O-CB 3.32Å; E244-T247 PolarHBondContact O-N 2.83Å; E244-T247 VanDerWaalsContact O-N 3.17Å; Q245-T247 VanDerWaalsContact C-N 3.34Å; T247-N251 WeakPolarHBondContact CG2-ND2 3.49Å; T247-N251 WeakPolarHBondContact O-CB 3.3Å; T247-N251 PolarHBondContact O-N 2.97Å; T247-N251 PolarHBondContact O-ND2 3.06Å; T247-N251 VanDerWaalsContact O-ND2 3.15Å; T247-L267 WeakPolarHBondContact CG2-O 3.48Å; T247-P269 HydrophobicContact CG2-CG 4.4Å; T247-V272 HydrophobicContact CG2-CG2 4.28Å; T247-V272 WeakPolarHBondContact OG1-CB 3.26Å; T247-V272 WeakPolarHBondContact OG1-CG2 3.34Å
248	E	95.8	Very high	93.6	Very high	137 Å²	137	49.9 Å²	49.9	64%	0.64	25%	0.251	S	S	*	.	H	α-helix	trans	-61.5	-46.8	173.5	-174.9	174.1	-168.6	0	0	111.1	E244 Q245 I250 N251 S252	E244-E248 PolarHBondContact O-N 3.33Å; Q245-E248 PolarHBondContact O-N 3.11Å; E248-I250 PolarHBondContact O-N 2.87Å; E248-N251 PolarHBondContact O-N 2.89Å; E248-S252 VanDerWaalsContact O-CB 3.23Å; E248-S252 WeakPolarHBondContact O-CB 3.18Å; E248-S252 PolarHBondContact O-N 3.11Å; E248-S252 PolarHBondContact O-OG 3.12Å
249	F	95.9	Very high	93.9	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.022	24%	0.242	C	C	.	.	H	α-helix	trans	-57.2	-50.4	176	171.9	-111.1	0	0	0	112.8	V233 Q245 M246 N251 K253 Q254 F296 Y299 L300 Y802	V233-F249 HydrophobicContact CG1-CB 3.83Å; V233-F249 HydrophobicContact CG1-CD2 4.39Å; V233-F249 HydrophobicContact CG1-CG 4.25Å; V233-F249 HydrophobicContact CG2-CB 4.42Å; V233-F249 HydrophobicContact CG2-CD2 3.45Å; V233-F249 VanDerWaalsContact CG2-CD2 3.45Å; V233-F249 HydrophobicContact CG2-CE2 3.9Å; V233-F249 HydrophobicContact CG2-CG 4.07Å; Q245-F249 WeakPolarHBondContact O-CB 3.48Å; Q245-F249 PolarHBondContact O-N 2.81Å; M246-F249 HydrophobicContact CE-CD1 4.4Å; M246-F249 PolarHBondContact O-N 3.15Å; M246-F249 HydrophobicContact SD-CD1 4.02Å; F249-N251 PolarHBondContact O-N 3.44Å; F249-K253 HydrophobicContact CD2-CB 3.94Å; F249-K253 HydrophobicContact CD2-CG 4.03Å; F249-K253 HydrophobicContact CE2-CB 4Å; F249-K253 HydrophobicContact CE2-CG 4.35Å; F249-K253 WeakPolarHBondContact O-CB 3.21Å; F249-K253 PolarHBondContact O-N 3.15Å; F249-Q254 HydrophobicContact CD1-CG 4.13Å; F249-Q254 HydrophobicContact CE1-CG 3.64Å; F249-Q254 HydrophobicContact CE2-CG 4.36Å; F249-Q254 HydrophobicContact CZ-CG 3.78Å; F249-Q254 PolarHBondContact O-N 3.12Å; F249-F296 AromaticContact CD1-CE2 3.91Å; F249-F296 HydrophobicContact CD1-CE2 3.91Å; F249-F296 AromaticContact CE1-CE2 3.58Å; F249-F296 HydrophobicContact CE1-CE2 3.58Å; F249-F296 AromaticContact CE1-CZ 3.9Å; F249-F296 HydrophobicContact CE1-CZ 3.9Å; F249-F296 HydrophobicContact CE2-CZ 4.41Å; F249-F296 HydrophobicContact CZ-CE2 4.02Å; F249-F296 AromaticContact CZ-CZ 3.85Å; F249-F296 HydrophobicContact CZ-CZ 3.85Å; F249-Y299 HydrophobicContact CE1-CE1 4.13Å; F249-L300 HydrophobicContact CZ-CD2 4.43Å; F249-Y802 AromaticContact CE2-CD2 3.8Å; F249-Y802 HydrophobicContact CE2-CD2 3.8Å; F249-Y802 HydrophobicContact CE2-CE2 4.12Å; F249-Y802 HydrophobicContact CZ-CD2 4Å
250	I	95.8	Very high	93.9	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.056	23%	0.23	C	C	.	.	I	π-helix	trans	-61.5	-47.7	-179.9	-69.2	167.2	0	0	0	110.4	M246 E248 Q254 R255 L267 V272 L275 Y299	M246-I250 HydrophobicContact CE-CD1 4.19Å; M246-I250 HydrophobicContact CE-CG1 4.44Å; M246-I250 HydrophobicContact CG-CD1 4.08Å; M246-I250 WeakPolarHBondContact O-CB 3.28Å; M246-I250 VanDerWaalsContact O-CG1 3.24Å; M246-I250 WeakPolarHBondContact O-CG1 3.47Å; M246-I250 PolarHBondContact O-N 2.85Å; E248-I250 PolarHBondContact O-N 2.87Å; I250-Q254 CarbonylContact O-C 3.37Å; I250-Q254 WeakPolarHBondContact O-CB 3.29Å; I250-Q254 PolarHBondContact O-N 3.37Å; I250-R255 PolarHBondContact O-N 3.35Å; I250-L267 HydrophobicContact CG2-CD1 4.11Å; I250-L267 HydrophobicContact CG2-CD2 4.3Å; I250-V272 HydrophobicContact CD1-CG1 4.17Å; I250-V272 HydrophobicContact CD1-CG2 4.04Å; I250-L275 HydrophobicContact CD1-CD1 3.88Å; I250-Y299 HydrophobicContact CD1-CE2 4.36Å
251	N	95.4	Very high	93.7	Very high	42 Å²	42	49.5 Å²	49.5	23%	0.225	25%	0.251	C	S	.	.	I	π-helix	trans	-77.5	-26.5	-173.8	-69.6	-37.6	0	0	0	114.2	T247 E248 F249 R255 P266 L267	T247-N251 WeakPolarHBondContact CG2-ND2 3.49Å; T247-N251 WeakPolarHBondContact O-CB 3.3Å; T247-N251 PolarHBondContact O-N 2.97Å; T247-N251 PolarHBondContact O-ND2 3.06Å; T247-N251 VanDerWaalsContact O-ND2 3.15Å; E248-N251 PolarHBondContact O-N 2.89Å; F249-N251 PolarHBondContact O-N 3.44Å; N251-R255 WeakPolarHBondContact O-CB 3.44Å; N251-P266 HydrophobicContact CB-CB 4.36Å; N251-P266 WeakPolarHBondContact OD1-CA 3.43Å; N251-P266 WeakPolarHBondContact OD1-CB 3.2Å; N251-L267 PolarHBondContact ND2-O 3.48Å; N251-L267 PolarHBondContact OD1-N 3.27Å
252	S	92.8	Very high	93.4	Very high	78 Å²	78	56.7 Å²	56.7	55%	0.545	29%	0.289	S	S	.	.	I	π-helix	trans	-99.5	-34	-178.3	67.7	0	0	0	0	114.9	E248	E248-S252 VanDerWaalsContact O-CB 3.23Å; E248-S252 WeakPolarHBondContact O-CB 3.18Å; E248-S252 PolarHBondContact O-N 3.11Å; E248-S252 PolarHBondContact O-OG 3.12Å
253	K	94.1	Very high	92.9	Very high	62 Å²	62	59.7 Å²	59.7	27%	0.27	30%	0.303	S	S	.	.	I	π-helix	trans	-106	-39	-177.3	-61.6	-77.9	-166.8	146	0	112.7	E232 F249 G801 Y823	E232-K253 IonicContact OE1-NZ 2.69Å; E232-K253 PolarHBondContact OE1-NZ 2.75Å; F249-K253 HydrophobicContact CD2-CB 3.94Å; F249-K253 HydrophobicContact CD2-CG 4.03Å; F249-K253 HydrophobicContact CE2-CB 4Å; F249-K253 HydrophobicContact CE2-CG 4.35Å; F249-K253 WeakPolarHBondContact O-CB 3.21Å; F249-K253 PolarHBondContact O-N 3.15Å; K253-G801 WeakPolarHBondContact O-CA 3.29Å; K253-G801 PolarHBondContact O-N 3.24Å; K253-Y823 HydrophobicContact CD-CE2 4.48Å
254	Q	94.8	Very high	92.5	Very high	6 Å²	6	63.9 Å²	63.9	3%	0.028	32%	0.319	C	S	.	.	I	π-helix	trans	-92.9	-23.3	-174.1	-51.4	-64.5	99.1	0	0	113.7	F249 I250 N305 G801 Y802 R803	F249-Q254 HydrophobicContact CD1-CG 4.13Å; F249-Q254 HydrophobicContact CE1-CG 3.64Å; F249-Q254 HydrophobicContact CE2-CG 4.36Å; F249-Q254 HydrophobicContact CZ-CG 3.78Å; F249-Q254 PolarHBondContact O-N 3.12Å; I250-Q254 CarbonylContact O-C 3.37Å; I250-Q254 WeakPolarHBondContact O-CB 3.29Å; I250-Q254 PolarHBondContact O-N 3.37Å; Q254-N305 PolarHBondContact NE2-OD1 3.48Å; Q254-G801 VanDerWaalsContact OE1-CA 3.22Å; Q254-Y802 PolarHBondContact NE2-O 3.17Å; Q254-R803 PolarHBondContact O-NH2 3.4Å
255	R	93.3	Very high	92.3	Very high	48 Å²	48	62.1 Å²	62.1	18%	0.181	32%	0.318	C	S	.	.	S	Bend	trans	-74.6	140.6	-179.6	-169	-177.6	179.3	-74.3	-5.4	111.8	I250 N251 P257 L259 Y264 P800	I250-R255 PolarHBondContact O-N 3.35Å; N251-R255 WeakPolarHBondContact O-CB 3.44Å; R255-P257 WeakPolarHBondContact O-CD 3.34Å; R255-L259 PolarHBondContact NH1-O 2.7Å; R255-L259 PolarHBondContact NH2-O 2.72Å; R255-Y264 PolarHBondContact NH2-O 3.19Å; R255-P800 VanDerWaalsContact O-CG 3.27Å; R255-P800 WeakPolarHBondContact O-CG 3.42Å
256	D	93.2	Very high	92.2	Very high	15 Å²	15	62.9 Å²	62.9	8%	0.08	33%	0.327	C	S	.	.			trans	-77.4	113.7	171.8	-171.8	-18	0	0	0	111.1	R258 L259 P800	D256-R258 PolarHBondContact O-N 2.73Å; D256-R258 VanDerWaalsContact OD1-CB 3.29Å; D256-R258 WeakPolarHBondContact OD1-CB 3.47Å; D256-R258 WeakPolarHBondContact OD1-CG 3.49Å; D256-R258 IonicContact OD1-CZ 2.72Å; D256-R258 PolarHBondContact OD1-N 2.66Å; D256-R258 IonicContact OD1-NE 3.38Å; D256-R258 PolarHBondContact OD1-NE 2.86Å; D256-R258 IonicContact OD1-NH2 3.6Å; D256-R258 IonicContact OD2-CZ 2.66Å; D256-R258 IonicContact OD2-NE 3.59Å; D256-R258 PolarHBondContact OD2-NE 2.68Å; D256-R258 IonicContact OD2-NH2 2.67Å; D256-R258 PolarHBondContact OD2-NH2 3.41Å; D256-L259 HydrophobicContact CB-CD1 3.9Å; D256-L259 HydrophobicContact CB-CG 3.9Å; D256-L259 PolarHBondContact O-N 3.17Å; D256-P800 HydrophobicContact CB-CG 4.2Å
257	P	91	Very high	92.1	Very high	81 Å²	81	65.5 Å²	65.5	53%	0.526	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.7	-177	30	-36.2	0	0	0	113.1	R255 L259 V826 K827	R255-P257 WeakPolarHBondContact O-CD 3.34Å; P257-L259 PolarHBondContact O-N 3.3Å; P257-V826 VanDerWaalsContact CD-O 3.32Å; P257-V826 WeakPolarHBondContact CD-O 3.38Å; P257-V826 WeakPolarHBondContact CG-O 3.21Å; P257-K827 HydrophobicContact CG-CB 4.3Å
258	R	90.3	Very high	92	Very high	49 Å²	49	71 Å²	71	19%	0.185	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.8	176.2	-53.1	171.7	-65	175.5	0.8	112.5	D256 N707 V795 I798	D256-R258 PolarHBondContact O-N 2.73Å; D256-R258 VanDerWaalsContact OD1-CB 3.29Å; D256-R258 WeakPolarHBondContact OD1-CB 3.47Å; D256-R258 WeakPolarHBondContact OD1-CG 3.49Å; D256-R258 IonicContact OD1-CZ 2.72Å; D256-R258 PolarHBondContact OD1-N 2.66Å; D256-R258 IonicContact OD1-NE 3.38Å; D256-R258 PolarHBondContact OD1-NE 2.86Å; D256-R258 IonicContact OD1-NH2 3.6Å; D256-R258 IonicContact OD2-CZ 2.66Å; D256-R258 IonicContact OD2-NE 3.59Å; D256-R258 PolarHBondContact OD2-NE 2.68Å; D256-R258 IonicContact OD2-NH2 2.67Å; D256-R258 PolarHBondContact OD2-NH2 3.41Å; R258-N707 WeakPolarHBondContact CD-OD1 3.22Å; R258-N707 PolarHBondContact NH1-OD1 3.41Å; R258-V795 PolarHBondContact NH1-O 3.38Å; R258-V795 PolarHBondContact NH2-O 2.94Å; R258-I798 PolarHBondContact NH2-O 3.41Å
259	L	89.6	Confident	92	Very high	61 Å²	61	67.2 Å²	67.2	32%	0.319	35%	0.351	S	S	.	.	S	Bend	trans	-82.2	127.2	179.4	-64.4	-179.6	0	0	0	110.9	R255 D256 P257 E261 Y264	R255-L259 PolarHBondContact NH1-O 2.7Å; R255-L259 PolarHBondContact NH2-O 2.72Å; D256-L259 HydrophobicContact CB-CD1 3.9Å; D256-L259 HydrophobicContact CB-CG 3.9Å; D256-L259 PolarHBondContact O-N 3.17Å; P257-L259 PolarHBondContact O-N 3.3Å; L259-E261 PolarHBondContact O-N 3.37Å; L259-Y264 HydrophobicContact CB-CD2 3.96Å; L259-Y264 HydrophobicContact CB-CG 4.21Å; L259-Y264 HydrophobicContact CD1-CD1 4.49Å; L259-Y264 HydrophobicContact CD1-CD2 4.38Å; L259-Y264 HydrophobicContact CD1-CG 4.17Å; L259-Y264 HydrophobicContact CD2-CD2 4.06Å; L259-Y264 HydrophobicContact CD2-CE2 4.08Å; L259-Y264 HydrophobicContact CG-CD2 4.36Å
260	N	89.6	Confident	92	Very high	85 Å²	85	73.2 Å²	73.2	46%	0.455	38%	0.379	S	S	.	.			trans	-57.7	131.6	176	176.3	-88.1	0	0	0	111.9	I262 L263 Y264	N260-I262 VanDerWaalsContact C-N 3.3Å; N260-I262 PolarHBondContact O-N 2.97Å; N260-I262 WeakPolarHBondContact OD1-CA 3.24Å; N260-I262 WeakPolarHBondContact OD1-CB 3.36Å; N260-I262 PolarHBondContact OD1-N 3.19Å; N260-L263 HydrophobicContact CB-CB 4.47Å; N260-L263 HydrophobicContact CB-CD1 4.42Å; N260-L263 PolarHBondContact O-N 3.14Å; N260-L263 PolarHBondContact OD1-N 3.02Å; N260-L263 VanDerWaalsContact OD1-N 3.08Å; N260-Y264 PolarHBondContact O-N 3.2Å
261	E	89	Confident	91.9	Very high	139 Å²	139	77.2 Å²	77.2	65%	0.65	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.1	-173.5	-58.9	-178.4	158	0	0	114.8	L259 P265	L259-E261 PolarHBondContact O-N 3.37Å; E261-P265 WeakPolarHBondContact O-CA 3.28Å
262	I	87.4	Confident	91.9	Very high	152 Å²	152	75.2 Å²	75.2	78%	0.779	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-40.6	177	-54.3	176.1	0	0	0	110.1	N260	N260-I262 VanDerWaalsContact C-N 3.3Å; N260-I262 PolarHBondContact O-N 2.97Å; N260-I262 WeakPolarHBondContact OD1-CA 3.24Å; N260-I262 WeakPolarHBondContact OD1-CB 3.36Å; N260-I262 PolarHBondContact OD1-N 3.19Å
263	L	85.5	Confident	92.1	Very high	90 Å²	90	73.9 Å²	73.9	47%	0.471	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-32.6	176.2	-62.7	177.7	0	0	0	112.7	V8 N260	V8-L263 HydrophobicContact CG2-CB 4.47Å; N260-L263 HydrophobicContact CB-CB 4.47Å; N260-L263 HydrophobicContact CB-CD1 4.42Å; N260-L263 PolarHBondContact O-N 3.14Å; N260-L263 PolarHBondContact OD1-N 3.02Å; N260-L263 VanDerWaalsContact OD1-N 3.08Å
264	Y	87.3	Confident	92.2	Very high	94 Å²	94	76.4 Å²	76.4	37%	0.369	39%	0.388	S	S	.	.	S	Bend	trans	-130.3	74.8	-179.5	-60.9	-79.6	0	0	0	109.6	V8 R255 L259 N260	V8-Y264 HydrophobicContact CG1-CE1 4.25Å; R255-Y264 PolarHBondContact NH2-O 3.19Å; L259-Y264 HydrophobicContact CB-CD2 3.96Å; L259-Y264 HydrophobicContact CB-CG 4.21Å; L259-Y264 HydrophobicContact CD1-CD1 4.49Å; L259-Y264 HydrophobicContact CD1-CD2 4.38Å; L259-Y264 HydrophobicContact CD1-CG 4.17Å; L259-Y264 HydrophobicContact CD2-CD2 4.06Å; L259-Y264 HydrophobicContact CD2-CE2 4.08Å; L259-Y264 HydrophobicContact CG-CD2 4.36Å; N260-Y264 PolarHBondContact O-N 3.2Å
265	P	90.4	Very high	92.3	Very high	88 Å²	88	77.1 Å²	77.1	57%	0.571	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-61	147.8	-176.4	24.6	-34.4	0	0	0	112.6	E261	E261-P265 WeakPolarHBondContact O-CA 3.28Å
266	P	92.7	Very high	92.4	Very high	61 Å²	61	74.9 Å²	74.9	40%	0.396	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-60.7	148.3	169.1	27.8	-34.3	0	0	0	110.3	N251	N251-P266 HydrophobicContact CB-CB 4.36Å; N251-P266 WeakPolarHBondContact OD1-CA 3.43Å; N251-P266 WeakPolarHBondContact OD1-CB 3.2Å
267	L	93.5	Very high	92.5	Very high	57 Å²	57	78 Å²	78	30%	0.298	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-68.5	136.1	178.3	-81	75.2	0	0	0	109.7	T247 I250 N251 V272 L275	T247-L267 WeakPolarHBondContact CG2-O 3.48Å; I250-L267 HydrophobicContact CG2-CD1 4.11Å; I250-L267 HydrophobicContact CG2-CD2 4.3Å; N251-L267 PolarHBondContact ND2-O 3.48Å; N251-L267 PolarHBondContact OD1-N 3.27Å; L267-V272 HydrophobicContact CB-CG2 3.87Å; L267-V272 HydrophobicContact CD2-CG2 4.1Å; L267-L275 HydrophobicContact CD2-CD1 3.79Å
268	K	95.3	Very high	92.7	Very high	130 Å²	130	78.9 Å²	78.9	57%	0.565	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-85.6	157.5	172.4	-53.9	-176.4	178.5	-176.8	0	111.4	E270 Q271 V272	K268-E270 WeakPolarHBondContact CB-OE2 3.38Å; K268-E270 PolarHBondContact O-N 3.47Å; K268-E270 VanDerWaalsContact O-N 3.14Å; K268-Q271 WeakPolarHBondContact O-CB 3.35Å; K268-Q271 PolarHBondContact O-N 2.83Å; K268-V272 PolarHBondContact O-N 3.37Å; K268-V272 VanDerWaalsContact O-N 3.07Å
269	P	95.7	Very high	92.9	Very high	58 Å²	58	77.7 Å²	77.7	38%	0.377	39%	0.391	S	S	.	.	H	α-helix	trans	-51.4	-37.2	178.1	-29.6	37.6	0	0	0	114.2	V243 T247 Q271 V272 Q273	V243-P269 HydrophobicContact CG1-CB 3.91Å; V243-P269 WeakPolarHBondContact CG1-O 3.39Å; T247-P269 HydrophobicContact CG2-CG 4.4Å; P269-Q271 VanDerWaalsContact C-N 3.28Å; P269-Q271 PolarHBondContact O-N 3.47Å; P269-V272 PolarHBondContact O-N 2.99Å; P269-Q273 PolarHBondContact O-N 2.96Å
270	E	95.1	Very high	93.2	Very high	130 Å²	130	75.4 Å²	75.4	61%	0.607	38%	0.379	S	S	*	.	H	α-helix	trans	-68.2	-28.9	179.6	-46.7	83.1	175.1	0	0	112.3	K268	K268-E270 WeakPolarHBondContact CB-OE2 3.38Å; K268-E270 PolarHBondContact O-N 3.47Å; K268-E270 VanDerWaalsContact O-N 3.14Å
271	Q	94.6	Very high	93.3	Very high	95 Å²	95	74.2 Å²	74.2	44%	0.444	38%	0.376	S	S	.	.	H	α-helix	trans	-79.6	-31.5	174.3	-58.4	175.7	-75.1	0	0	111.4	K268 P269 L274 L275	K268-Q271 WeakPolarHBondContact O-CB 3.35Å; K268-Q271 PolarHBondContact O-N 2.83Å; P269-Q271 VanDerWaalsContact C-N 3.28Å; P269-Q271 PolarHBondContact O-N 3.47Å; Q271-L274 PolarHBondContact O-N 3.24Å; Q271-L275 PolarHBondContact O-N 3.26Å
272	V	95.8	Very high	93.5	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-74.6	-32.2	175.6	177.8	0	0	0	0	111.3	V243 M246 T247 I250 L267 K268 P269 L274 L275 V276	V243-V272 HydrophobicContact CG1-CB 4.27Å; V243-V272 HydrophobicContact CG1-CG1 4.3Å; M246-V272 HydrophobicContact CB-CG1 3.82Å; M246-V272 HydrophobicContact CG-CG1 3.69Å; T247-V272 HydrophobicContact CG2-CG2 4.28Å; T247-V272 WeakPolarHBondContact OG1-CB 3.26Å; T247-V272 WeakPolarHBondContact OG1-CG2 3.34Å; I250-V272 HydrophobicContact CD1-CG1 4.17Å; I250-V272 HydrophobicContact CD1-CG2 4.04Å; L267-V272 HydrophobicContact CB-CG2 3.87Å; L267-V272 HydrophobicContact CD2-CG2 4.1Å; K268-V272 PolarHBondContact O-N 3.37Å; K268-V272 VanDerWaalsContact O-N 3.07Å; P269-V272 PolarHBondContact O-N 2.99Å; V272-L274 VanDerWaalsContact C-N 3.28Å; V272-L274 PolarHBondContact O-N 3.02Å; V272-L275 WeakPolarHBondContact O-CA 3.15Å; V272-L275 WeakPolarHBondContact O-CB 3.48Å; V272-L275 PolarHBondContact O-N 2.86Å; V272-V276 PolarHBondContact O-N 2.96Å
273	Q	96.6	Very high	93.8	Very high	50 Å²	50	69.7 Å²	69.7	23%	0.234	36%	0.356	C	S	.	.	H	α-helix	trans	-55.3	-42.8	168.4	-179.6	64.6	57.5	0	0	111.4	V243 P269 L275 V276 D277 A286 G289	V243-Q273 HydrophobicContact CG2-CB 4.4Å; P269-Q273 PolarHBondContact O-N 2.96Å; Q273-L275 VanDerWaalsContact C-N 3.25Å; Q273-L275 PolarHBondContact O-N 3.36Å; Q273-V276 CarbonylContact O-C 3.56Å; Q273-V276 WeakPolarHBondContact O-CA 3.22Å; Q273-V276 WeakPolarHBondContact O-CB 3.24Å; Q273-V276 PolarHBondContact O-N 2.97Å; Q273-D277 PolarHBondContact NE2-OD1 3.48Å; Q273-D277 VanDerWaalsContact O-CG 3.25Å; Q273-D277 PolarHBondContact O-N 2.92Å; Q273-A286 PolarHBondContact NE2-O 2.99Å; Q273-G289 VanDerWaalsContact OE1-CA 3.26Å
274	L	96.3	Very high	94.3	Very high	116 Å²	116	68.1 Å²	68.1	61%	0.607	35%	0.353	S	S	*	.	H	α-helix	trans	-63.1	-29.8	175.9	-60.8	174.9	0	0	0	113.2	Q271 V272 K278	Q271-L274 PolarHBondContact O-N 3.24Å; V272-L274 VanDerWaalsContact C-N 3.28Å; V272-L274 PolarHBondContact O-N 3.02Å; L274-K278 VanDerWaalsContact O-CB 3.32Å; L274-K278 WeakPolarHBondContact O-CB 3.25Å; L274-K278 PolarHBondContact O-N 3.38Å; L274-K278 VanDerWaalsContact O-N 3.09Å
275	L	95.5	Very high	94.6	Very high	20 Å²	20	65.2 Å²	65.2	11%	0.105	34%	0.344	C	S	.	.	H	α-helix	trans	-74	-37.9	172.4	-64	174.3	0	0	0	111.5	I250 L267 Q271 V272 Q273 K278 Y279 Y299 E304	I250-L275 HydrophobicContact CD1-CD1 3.88Å; L267-L275 HydrophobicContact CD2-CD1 3.79Å; Q271-L275 PolarHBondContact O-N 3.26Å; V272-L275 WeakPolarHBondContact O-CA 3.15Å; V272-L275 WeakPolarHBondContact O-CB 3.48Å; V272-L275 PolarHBondContact O-N 2.86Å; Q273-L275 VanDerWaalsContact C-N 3.25Å; Q273-L275 PolarHBondContact O-N 3.36Å; L275-K278 PolarHBondContact O-N 2.72Å; L275-Y279 WeakPolarHBondContact O-CB 3.27Å; L275-Y279 WeakPolarHBondContact O-CD2 3.48Å; L275-Y279 PolarHBondContact O-N 3.25Å; L275-Y299 HydrophobicContact CD1-CE2 4.23Å; L275-E304 HydrophobicContact CD2-CG 4.04Å
276	V	96.2	Very high	94.7	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-48	172.3	175.5	0	0	0	0	110.2	V243 V272 Q273 K278 Y279 E280 A286 I291	V243-V276 HydrophobicContact CG2-CG2 3.87Å; V272-V276 PolarHBondContact O-N 2.96Å; Q273-V276 CarbonylContact O-C 3.56Å; Q273-V276 WeakPolarHBondContact O-CA 3.22Å; Q273-V276 WeakPolarHBondContact O-CB 3.24Å; Q273-V276 PolarHBondContact O-N 2.97Å; V276-K278 VanDerWaalsContact C-N 3.25Å; V276-K278 PolarHBondContact O-N 2.95Å; V276-Y279 PolarHBondContact O-N 3.49Å; V276-E280 HydrophobicContact CG1-CB 4.15Å; V276-E280 VanDerWaalsContact O-CB 3.22Å; V276-E280 WeakPolarHBondContact O-CB 3.34Å; V276-E280 PolarHBondContact O-N 3.27Å; V276-A286 HydrophobicContact CG1-CB 4.35Å; V276-I291 HydrophobicContact CG1-CB 4.23Å; V276-I291 HydrophobicContact CG2-CB 4.16Å; V276-I291 HydrophobicContact CG2-CD1 4.4Å
277	D	95.9	Very high	94.8	Very high	81 Å²	81	65.5 Å²	65.5	43%	0.433	33%	0.333	S	S	.	.	H	α-helix	trans	-61.9	-30.1	177.4	-64.4	-29	0	0	0	113.1	Q273	Q273-D277 PolarHBondContact NE2-OD1 3.48Å; Q273-D277 VanDerWaalsContact O-CG 3.25Å; Q273-D277 PolarHBondContact O-N 2.92Å
278	K	95.1	Very high	94.8	Very high	99 Å²	99	68.7 Å²	68.7	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-76.3	-38.1	175.2	-177.6	-176.3	178.6	-166.5	0	112.9	L274 L275 V276 E304	L274-K278 VanDerWaalsContact O-CB 3.32Å; L274-K278 WeakPolarHBondContact O-CB 3.25Å; L274-K278 PolarHBondContact O-N 3.38Å; L274-K278 VanDerWaalsContact O-N 3.09Å; L275-K278 PolarHBondContact O-N 2.72Å; V276-K278 VanDerWaalsContact C-N 3.25Å; V276-K278 PolarHBondContact O-N 2.95Å; K278-E304 IonicContact NZ-OE1 2.77Å; K278-E304 PolarHBondContact NZ-OE1 3.47Å; K278-E304 IonicContact NZ-OE2 2.72Å; K278-E304 PolarHBondContact NZ-OE2 3.42Å
279	Y	94.9	Very high	94.8	Very high	24 Å²	24	63 Å²	63	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-108.3	-24.9	-166	-77.8	-63.6	0	0	0	115.6	L275 V276 P281 G295 R298 Y299 G302 E304	L275-Y279 WeakPolarHBondContact O-CB 3.27Å; L275-Y279 WeakPolarHBondContact O-CD2 3.48Å; L275-Y279 PolarHBondContact O-N 3.25Å; V276-Y279 PolarHBondContact O-N 3.49Å; Y279-P281 WeakPolarHBondContact O-CD 3.34Å; Y279-G295 WeakPolarHBondContact O-CA 2.98Å; Y279-R298 HydrophobicContact CD1-CB 3.74Å; Y279-R298 HydrophobicContact CE1-CB 4.47Å; Y279-R298 WeakPolarHBondContact CE1-O 3.39Å; Y279-R298 WeakPolarHBondContact O-CD 3.45Å; Y279-Y299 HydrophobicContact CD2-CD2 4.19Å; Y279-Y299 HydrophobicContact CE2-CD2 4.32Å; Y279-G302 WeakPolarHBondContact OH-CA 3.43Å; Y279-E304 PolarHBondContact OH-OE2 3.41Å
280	E	95.8	Very high	94.8	Very high	13 Å²	13	61.9 Å²	61.9	6%	0.061	31%	0.312	C	S	.	.			trans	-78.7	116.4	-179.4	176.3	49.3	-134.9	0	0	111.8	V276 N282 L285 A286 I291 S292	V276-E280 HydrophobicContact CG1-CB 4.15Å; V276-E280 VanDerWaalsContact O-CB 3.22Å; V276-E280 WeakPolarHBondContact O-CB 3.34Å; V276-E280 PolarHBondContact O-N 3.27Å; E280-N282 VanDerWaalsContact C-N 3.33Å; E280-N282 WeakPolarHBondContact CG-O 3.34Å; E280-N282 PolarHBondContact O-N 2.87Å; E280-N282 WeakPolarHBondContact OE1-CB 3.2Å; E280-N282 PolarHBondContact OE1-N 3.16Å; E280-L285 HydrophobicContact CG-CB 4.02Å; E280-A286 HydrophobicContact CB-CB 4.11Å; E280-A286 HydrophobicContact CG-CB 4.11Å; E280-I291 HydrophobicContact CB-CG1 4.43Å; E280-S292 VanDerWaalsContact CD-OG 3.3Å; E280-S292 PolarHBondContact OE1-OG 3.47Å; E280-S292 WeakPolarHBondContact OE2-CB 3.34Å; E280-S292 PolarHBondContact OE2-N 2.83Å; E280-S292 PolarHBondContact OE2-OG 2.95Å
281	P	91.7	Very high	94.8	Very high	60 Å²	60	55.8 Å²	55.8	39%	0.39	28%	0.284	S	S	.	.	S	Bend	trans	-68.1	-28.4	178.8	27.6	-36.7	0	0	0	113.6	Y279 I283 D294	Y279-P281 WeakPolarHBondContact O-CD 3.34Å; P281-I283 PolarHBondContact O-N 2.96Å; P281-D294 HydrophobicContact CG-CB 4.31Å
282	N	93.4	Very high	94.9	Very high	78 Å²	78	52 Å²	52	42%	0.417	27%	0.268	S	S	.	.			trans	-87.3	98.3	178.2	-170.4	-21.4	0	0	0	110.6	E280 S284 L285 A286	E280-N282 VanDerWaalsContact C-N 3.33Å; E280-N282 WeakPolarHBondContact CG-O 3.34Å; E280-N282 PolarHBondContact O-N 2.87Å; E280-N282 WeakPolarHBondContact OE1-CB 3.2Å; E280-N282 PolarHBondContact OE1-N 3.16Å; N282-S284 PolarHBondContact O-N 3.39Å; N282-S284 WeakPolarHBondContact OD1-CB 3.38Å; N282-S284 PolarHBondContact OD1-N 3.46Å; N282-L285 HydrophobicContact CB-CB 4.25Å; N282-L285 HydrophobicContact CB-CD1 4.04Å; N282-L285 HydrophobicContact CB-CG 4.02Å; N282-L285 WeakPolarHBondContact O-CA 3.27Å; N282-L285 PolarHBondContact O-N 3.31Å; N282-A286 PolarHBondContact O-N 3.3Å
283	I	93.6	Very high	94.7	Very high	118 Å²	118	54.1 Å²	54.1	61%	0.605	28%	0.279	S	S	*	.	H	α-helix	trans	-48.8	-33.1	176.4	-57.5	172.5	0	0	0	112.3	P281 Q287	P281-I283 PolarHBondContact O-N 2.96Å; I283-Q287 HydrophobicContact CG2-CG 4.27Å; I283-Q287 WeakPolarHBondContact O-CB 3.37Å; I283-Q287 VanDerWaalsContact O-CG 3.23Å; I283-Q287 WeakPolarHBondContact O-CG 3.45Å; I283-Q287 PolarHBondContact O-N 2.87Å
284	S	94.9	Very high	94.5	Very high	58 Å²	58	55.1 Å²	55.1	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-76.5	-17.9	178.4	-159.8	0	0	0	0	114	N282 K288	N282-S284 PolarHBondContact O-N 3.39Å; N282-S284 WeakPolarHBondContact OD1-CB 3.38Å; N282-S284 PolarHBondContact OD1-N 3.46Å; S284-K288 WeakPolarHBondContact O-CD 3.11Å; S284-K288 WeakPolarHBondContact O-CE 3.39Å; S284-K288 VanDerWaalsContact O-CG 3.31Å; S284-K288 WeakPolarHBondContact O-CG 3.5Å; S284-K288 PolarHBondContact O-NZ 3.16Å; S284-K288 PolarHBondContact OG-NZ 2.98Å
285	L	94	Very high	94.4	Very high	33 Å²	33	49.6 Å²	49.6	17%	0.173	26%	0.257	C	S	.	.	H	α-helix	trans	-86	-44.3	167.9	-64.2	-179.5	0	0	0	110.3	E280 N282 Q287 K288 G289 Q290	E280-L285 HydrophobicContact CG-CB 4.02Å; N282-L285 HydrophobicContact CB-CB 4.25Å; N282-L285 HydrophobicContact CB-CD1 4.04Å; N282-L285 HydrophobicContact CB-CG 4.02Å; N282-L285 WeakPolarHBondContact O-CA 3.27Å; N282-L285 PolarHBondContact O-N 3.31Å; L285-Q287 PolarHBondContact O-N 3.4Å; L285-K288 WeakPolarHBondContact O-CA 3.29Å; L285-K288 WeakPolarHBondContact O-CB 3.37Å; L285-K288 PolarHBondContact O-N 3.1Å; L285-G289 PolarHBondContact O-N 2.85Å; L285-Q290 CarbonylContact C-O 3.58Å; L285-Q290 HydrophobicContact CB-CB 4.12Å; L285-Q290 WeakPolarHBondContact CB-O 3.41Å; L285-Q290 HydrophobicContact CD2-CB 4.36Å; L285-Q290 WeakPolarHBondContact O-CB 3.4Å; L285-Q290 PolarHBondContact O-N 3.41Å
286	A	93	Very high	94.4	Very high	6 Å²	6	48.6 Å²	48.6	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-53.3	-50.9	177.5	0	0	0	0	0	112.2	Q273 V276 E280 N282 K288 G289	Q273-A286 PolarHBondContact NE2-O 2.99Å; V276-A286 HydrophobicContact CG1-CB 4.35Å; E280-A286 HydrophobicContact CB-CB 4.11Å; E280-A286 HydrophobicContact CG-CB 4.11Å; N282-A286 PolarHBondContact O-N 3.3Å; A286-K288 PolarHBondContact O-N 2.69Å; A286-G289 PolarHBondContact O-N 3.21Å
287	Q	93.6	Very high	94.4	Very high	149 Å²	149	49.5 Å²	49.5	70%	0.696	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-11.5	176	-72.9	175.7	-8.4	0	0	115.1	I283 L285	I283-Q287 HydrophobicContact CG2-CG 4.27Å; I283-Q287 WeakPolarHBondContact O-CB 3.37Å; I283-Q287 VanDerWaalsContact O-CG 3.23Å; I283-Q287 WeakPolarHBondContact O-CG 3.45Å; I283-Q287 PolarHBondContact O-N 2.87Å; L285-Q287 PolarHBondContact O-N 3.4Å
288	K	94.8	Very high	94.3	Very high	123 Å²	123	49 Å²	49	54%	0.535	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	5.8	175.9	-63.3	-177.5	-171.4	103.9	0	112.9	S284 L285 A286 Q290	S284-K288 WeakPolarHBondContact O-CD 3.11Å; S284-K288 WeakPolarHBondContact O-CE 3.39Å; S284-K288 VanDerWaalsContact O-CG 3.31Å; S284-K288 WeakPolarHBondContact O-CG 3.5Å; S284-K288 PolarHBondContact O-NZ 3.16Å; S284-K288 PolarHBondContact OG-NZ 2.98Å; L285-K288 WeakPolarHBondContact O-CA 3.29Å; L285-K288 WeakPolarHBondContact O-CB 3.37Å; L285-K288 PolarHBondContact O-N 3.1Å; A286-K288 PolarHBondContact O-N 2.69Å; K288-Q290 VanDerWaalsContact C-N 3.33Å; K288-Q290 HydrophobicContact CB-CG 4.12Å
289	G	94.4	Very high	94.3	Very high	10 Å²	10	44.7 Å²	44.7	10%	0.103	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	38	-171.1	0	0	0	0	0	112.4	T242 V243 Q273 L285 A286	T242-G289 CarbonylContact C-O 3.56Å; T242-G289 WeakPolarHBondContact CA-O 3.34Å; V243-G289 PolarHBondContact N-O 3.06Å; Q273-G289 VanDerWaalsContact OE1-CA 3.26Å; L285-G289 PolarHBondContact O-N 2.85Å; A286-G289 PolarHBondContact O-N 3.21Å
290	Q	95.6	Very high	94.4	Very high	35 Å²	35	43.7 Å²	43.7	16%	0.164	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.3	-177.2	-67.2	173.9	-2.5	0	0	110.5	Y240 L241 L285 K288	Y240-Q290 HydrophobicContact CD2-CB 4.05Å; Y240-Q290 HydrophobicContact CD2-CG 3.68Å; Y240-Q290 HydrophobicContact CE2-CG 3.93Å; Y240-Q290 HydrophobicContact CG-CB 4.19Å; Y240-Q290 HydrophobicContact CG-CG 4.24Å; L241-Q290 WeakPolarHBondContact O-CA 3.43Å; L285-Q290 CarbonylContact C-O 3.58Å; L285-Q290 HydrophobicContact CB-CB 4.12Å; L285-Q290 WeakPolarHBondContact CB-O 3.41Å; L285-Q290 HydrophobicContact CD2-CB 4.36Å; L285-Q290 WeakPolarHBondContact O-CB 3.4Å; L285-Q290 PolarHBondContact O-N 3.41Å; K288-Q290 VanDerWaalsContact C-N 3.33Å; K288-Q290 HydrophobicContact CB-CG 4.12Å
291	I	96.1	Very high	94.3	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.5	177	-167.1	169.9	0	0	0	110.2	Y240 L241 M246 V276 E280	Y240-I291 CarbonylContact C-O 3.6Å; Y240-I291 VanDerWaalsContact CA-O 3.22Å; Y240-I291 WeakPolarHBondContact CA-O 3.44Å; Y240-I291 WeakPolarHBondContact CB-O 3.37Å; L241-I291 HydrophobicContact CB-CG2 3.88Å; L241-I291 PolarHBondContact N-O 2.71Å; L241-I291 PolarHBondContact O-N 2.8Å; M246-I291 HydrophobicContact CE-CD1 4.47Å; V276-I291 HydrophobicContact CG1-CB 4.23Å; V276-I291 HydrophobicContact CG2-CB 4.16Å; V276-I291 HydrophobicContact CG2-CD1 4.4Å; E280-I291 HydrophobicContact CB-CG1 4.43Å
292	S	95.2	Very high	94.4	Very high	17 Å²	17	41.3 Å²	41.3	12%	0.119	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	175.3	-179.9	70.6	0	0	0	0	112	E280 D294 G295 F296	E280-S292 VanDerWaalsContact CD-OG 3.3Å; E280-S292 PolarHBondContact OE1-OG 3.47Å; E280-S292 WeakPolarHBondContact OE2-CB 3.34Å; E280-S292 PolarHBondContact OE2-N 2.83Å; E280-S292 PolarHBondContact OE2-OG 2.95Å; S292-D294 VanDerWaalsContact C-N 3.29Å; S292-D294 PolarHBondContact O-N 3.34Å; S292-D294 PolarHBondContact OG-N 2.82Å; S292-G295 PolarHBondContact O-N 3.48Å; S292-G295 PolarHBondContact OG-N 2.99Å; S292-F296 WeakPolarHBondContact O-CB 3.39Å; S292-F296 PolarHBondContact O-N 2.87Å
293	M	93.1	Very high	94.2	Very high	43 Å²	43	43.5 Å²	43.5	21%	0.212	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-38	173.3	-169.3	62.5	-121.4	0	0	112.5	L226 F230 F296 A297	L226-M293 HydrophobicContact CB-CE 3.47Å; L226-M293 VanDerWaalsContact CB-CE 3.47Å; F230-M293 HydrophobicContact CB-CE 4.14Å; F230-M293 HydrophobicContact CB-SD 3.45Å; F230-M293 WeakPolarHBondContact CB-SD 3.49Å; F230-M293 HydrophobicContact CD1-SD 3.66Å; F230-M293 HydrophobicContact CD2-SD 3.95Å; F230-M293 HydrophobicContact CE1-CB 4.32Å; F230-M293 HydrophobicContact CE1-SD 4.31Å; F230-M293 HydrophobicContact CG-CE 4.43Å; F230-M293 HydrophobicContact CG-SD 3.44Å; F230-M293 WeakPolarHBondContact CG-SD 3.34Å; F230-M293 HydrophobicContact CZ-CB 4.46Å; M293-F296 HydrophobicContact CE-CD1 3.98Å; M293-A297 WeakPolarHBondContact O-CB 3.41Å; M293-A297 PolarHBondContact O-N 2.94Å
294	D	92	Very high	94.1	Very high	71 Å²	71	41.6 Å²	41.6	38%	0.38	21%	0.21	S	C	.	.	H	α-helix	trans	-70	-48.6	176.6	-173.8	8.9	0	0	0	110.6	P281 S292 F296 A297 R298	P281-D294 HydrophobicContact CG-CB 4.31Å; S292-D294 VanDerWaalsContact C-N 3.29Å; S292-D294 PolarHBondContact O-N 3.34Å; S292-D294 PolarHBondContact OG-N 2.82Å; D294-F296 VanDerWaalsContact C-N 3.29Å; D294-F296 PolarHBondContact O-N 3.45Å; D294-A297 PolarHBondContact O-N 3.43Å; D294-A297 VanDerWaalsContact O-N 3.09Å; D294-R298 VanDerWaalsContact CG-NE 3.28Å; D294-R298 VanDerWaalsContact O-CG 3.31Å; D294-R298 WeakPolarHBondContact O-CG 3.49Å; D294-R298 PolarHBondContact O-N 2.92Å; D294-R298 IonicContact OD1-CZ 2.63Å; D294-R298 IonicContact OD1-NE 2.69Å; D294-R298 PolarHBondContact OD1-NE 3.21Å; D294-R298 IonicContact OD1-NH2 2.7Å; D294-R298 IonicContact OD2-CZ 2.75Å; D294-R298 IonicContact OD2-NE 2.62Å; D294-R298 PolarHBondContact OD2-NE 3.3Å; D294-R298 IonicContact OD2-NH2 3.13Å; D294-R298 PolarHBondContact OD2-NH2 3.38Å
295	G	94.4	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-41.6	175.1	0	0	0	0	0	113.2	Y279 S292 R298 Y299	Y279-G295 WeakPolarHBondContact O-CA 2.98Å; S292-G295 PolarHBondContact O-N 3.48Å; S292-G295 PolarHBondContact OG-N 2.99Å; G295-R298 PolarHBondContact O-N 2.92Å; G295-Y299 PolarHBondContact O-N 2.86Å
296	F	95.8	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-40.6	175.5	-177.3	-105.3	0	0	0	112.6	I229 F230 L241 M246 F249 S292 M293 D294 Y299 L300	I229-F296 HydrophobicContact CG2-CE1 4.07Å; I229-F296 HydrophobicContact CG2-CZ 4.05Å; F230-F296 HydrophobicContact CB-CD1 4.49Å; F230-F296 HydrophobicContact CD2-CB 3.86Å; F230-F296 AromaticContact CD2-CD1 3.73Å; F230-F296 HydrophobicContact CD2-CD1 3.73Å; F230-F296 HydrophobicContact CD2-CD2 4.34Å; F230-F296 HydrophobicContact CD2-CE1 4.33Å; F230-F296 AromaticContact CD2-CG 3.73Å; F230-F296 HydrophobicContact CD2-CG 3.73Å; F230-F296 HydrophobicContact CE2-CB 3.75Å; F230-F296 HydrophobicContact CE2-CD1 4.49Å; F230-F296 HydrophobicContact CE2-CG 4.08Å; L241-F296 HydrophobicContact CD1-CD2 4.25Å; L241-F296 HydrophobicContact CD1-CE2 4.38Å; M246-F296 HydrophobicContact CE-CD2 4.08Å; M246-F296 HydrophobicContact CE-CE2 4.35Å; M246-F296 HydrophobicContact SD-CD2 3.93Å; M246-F296 HydrophobicContact SD-CE2 4.08Å; F249-F296 AromaticContact CD1-CE2 3.91Å; F249-F296 HydrophobicContact CD1-CE2 3.91Å; F249-F296 AromaticContact CE1-CE2 3.58Å; F249-F296 HydrophobicContact CE1-CE2 3.58Å; F249-F296 AromaticContact CE1-CZ 3.9Å; F249-F296 HydrophobicContact CE1-CZ 3.9Å; F249-F296 HydrophobicContact CE2-CZ 4.41Å; F249-F296 HydrophobicContact CZ-CE2 4.02Å; F249-F296 AromaticContact CZ-CZ 3.85Å; F249-F296 HydrophobicContact CZ-CZ 3.85Å; S292-F296 WeakPolarHBondContact O-CB 3.39Å; S292-F296 PolarHBondContact O-N 2.87Å; M293-F296 HydrophobicContact CE-CD1 3.98Å; D294-F296 VanDerWaalsContact C-N 3.29Å; D294-F296 PolarHBondContact O-N 3.45Å; F296-Y299 PolarHBondContact O-N 3.47Å; F296-L300 HydrophobicContact CD1-CD1 4.01Å; F296-L300 HydrophobicContact CE1-CD1 3.59Å; F296-L300 HydrophobicContact CE1-CG 4.32Å; F296-L300 HydrophobicContact CZ-CD1 4.07Å; F296-L300 HydrophobicContact CZ-CG 4.44Å; F296-L300 WeakPolarHBondContact O-CG 3.49Å; F296-L300 PolarHBondContact O-N 2.88Å
297	A	94.5	Very high	94.1	Very high	20 Å²	20	39.2 Å²	39.2	17%	0.165	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-40.4	174.5	0	0	0	0	0	112.2	L226 M293 D294 L300 N301	L226-A297 HydrophobicContact CD1-CB 4.09Å; M293-A297 WeakPolarHBondContact O-CB 3.41Å; M293-A297 PolarHBondContact O-N 2.94Å; D294-A297 PolarHBondContact O-N 3.43Å; D294-A297 VanDerWaalsContact O-N 3.09Å; A297-L300 PolarHBondContact O-N 3.22Å; A297-N301 PolarHBondContact O-N 2.99Å; A297-N301 PolarHBondContact O-OD1 3.01Å
298	R	94.6	Very high	94.1	Very high	69 Å²	69	32.2 Å²	32.2	26%	0.26	16%	0.162	S	C	.	.	H	α-helix	trans	-66.3	-40.8	175.1	-64.8	170.3	-170.6	-141.3	7.4	112.2	Y279 D294 G295 L300 N301 G302	Y279-R298 HydrophobicContact CD1-CB 3.74Å; Y279-R298 HydrophobicContact CE1-CB 4.47Å; Y279-R298 WeakPolarHBondContact CE1-O 3.39Å; Y279-R298 WeakPolarHBondContact O-CD 3.45Å; D294-R298 VanDerWaalsContact CG-NE 3.28Å; D294-R298 VanDerWaalsContact O-CG 3.31Å; D294-R298 WeakPolarHBondContact O-CG 3.49Å; D294-R298 PolarHBondContact O-N 2.92Å; D294-R298 IonicContact OD1-CZ 2.63Å; D294-R298 IonicContact OD1-NE 2.69Å; D294-R298 PolarHBondContact OD1-NE 3.21Å; D294-R298 IonicContact OD1-NH2 2.7Å; D294-R298 IonicContact OD2-CZ 2.75Å; D294-R298 IonicContact OD2-NE 2.62Å; D294-R298 PolarHBondContact OD2-NE 3.3Å; D294-R298 IonicContact OD2-NH2 3.13Å; D294-R298 PolarHBondContact OD2-NH2 3.38Å; G295-R298 PolarHBondContact O-N 2.92Å; R298-L300 VanDerWaalsContact C-N 3.33Å; R298-L300 PolarHBondContact O-N 2.86Å; R298-N301 PolarHBondContact O-N 3.49Å; R298-G302 PolarHBondContact O-N 2.91Å
299	Y	96	Very high	93.7	Very high	10 Å²	10	27.1 Å²	27.1	4%	0.039	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-47.1	170.1	165.8	-93.6	0	0	0	111	M246 F249 I250 L275 Y279 G295 F296 N301 G302 N305	M246-Y299 HydrophobicContact CE-CD1 3.38Å; M246-Y299 HydrophobicContact CE-CD2 3.91Å; M246-Y299 HydrophobicContact CE-CE1 3.74Å; M246-Y299 HydrophobicContact CE-CE2 4.21Å; M246-Y299 HydrophobicContact CE-CG 3.48Å; M246-Y299 VanDerWaalsContact CE-CG 3.48Å; F249-Y299 HydrophobicContact CE1-CE1 4.13Å; I250-Y299 HydrophobicContact CD1-CE2 4.36Å; L275-Y299 HydrophobicContact CD1-CE2 4.23Å; Y279-Y299 HydrophobicContact CD2-CD2 4.19Å; Y279-Y299 HydrophobicContact CE2-CD2 4.32Å; G295-Y299 PolarHBondContact O-N 2.86Å; F296-Y299 PolarHBondContact O-N 3.47Å; Y299-N301 VanDerWaalsContact C-N 3.29Å; Y299-N301 PolarHBondContact O-N 2.81Å; Y299-G302 PolarHBondContact O-N 2.92Å; Y299-N305 HydrophobicContact CE1-CB 4.31Å; Y299-N305 VanDerWaalsContact O-CB 3.25Å; Y299-N305 WeakPolarHBondContact O-CB 3.09Å
300	L	96.1	Very high	93.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-35.8	179.1	-73.1	175.5	0	0	0	112.3	L226 F249 F296 A297 R298 G302 N305 Y804 F821	L226-L300 HydrophobicContact CD2-CD1 3.86Å; F249-L300 HydrophobicContact CZ-CD2 4.43Å; F296-L300 HydrophobicContact CD1-CD1 4.01Å; F296-L300 HydrophobicContact CE1-CD1 3.59Å; F296-L300 HydrophobicContact CE1-CG 4.32Å; F296-L300 HydrophobicContact CZ-CD1 4.07Å; F296-L300 HydrophobicContact CZ-CG 4.44Å; F296-L300 WeakPolarHBondContact O-CG 3.49Å; F296-L300 PolarHBondContact O-N 2.88Å; A297-L300 PolarHBondContact O-N 3.22Å; R298-L300 VanDerWaalsContact C-N 3.33Å; R298-L300 PolarHBondContact O-N 2.86Å; L300-G302 VanDerWaalsContact C-N 3.25Å; L300-G302 PolarHBondContact O-N 2.7Å; L300-N305 WeakPolarHBondContact CA-ND2 3.32Å; L300-N305 PolarHBondContact O-ND2 3.11Å; L300-Y804 HydrophobicContact CB-CE2 4.01Å; L300-Y804 VanDerWaalsContact O-CD2 3.22Å; L300-Y804 WeakPolarHBondContact O-CD2 3.06Å; L300-Y804 WeakPolarHBondContact O-CE2 3.35Å; L300-F821 HydrophobicContact CD1-CE2 4.34Å; L300-F821 HydrophobicContact CD1-CZ 4.12Å
301	N	94.2	Very high	93.1	Very high	21 Å²	21	29.8 Å²	29.8	11%	0.112	15%	0.154	C	C	.	.	H	α-helix	trans	-70.7	-18.4	173.4	-72.7	-4.1	0	0	0	113.7	R149 E150 A297 R298 Y299 Y804	R149-N301 HydrophobicContact CB-CB 4.16Å; R149-N301 HydrophobicContact CG-CB 4.39Å; R149-N301 PolarHBondContact N-O 3.19Å; R149-N301 VanDerWaalsContact N-O 3.12Å; E150-N301 HydrophobicContact CB-CB 4.09Å; E150-N301 PolarHBondContact N-O 3.1Å; E150-N301 VanDerWaalsContact N-O 3.09Å; E150-N301 VanDerWaalsContact OE2-CB 3.27Å; E150-N301 WeakPolarHBondContact OE2-CB 2.93Å; E150-N301 PolarHBondContact OE2-ND2 2.7Å; A297-N301 PolarHBondContact O-N 2.99Å; A297-N301 PolarHBondContact O-OD1 3.01Å; R298-N301 PolarHBondContact O-N 3.49Å; Y299-N301 VanDerWaalsContact C-N 3.29Å; Y299-N301 PolarHBondContact O-N 2.81Å; N301-Y804 HydrophobicContact CB-CE2 4.48Å; N301-Y804 WeakPolarHBondContact OD1-CE2 3.34Å; N301-Y804 PolarHBondContact OD1-OH 2.93Å
302	G	92.9	Very high	92.7	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.031	17%	0.171	C	C	.	.	S	Bend	trans	-72.3	172.9	-164.6	0	0	0	0	0	116.5	Y279 R298 Y299 L300 N305	Y279-G302 WeakPolarHBondContact OH-CA 3.43Å; R298-G302 PolarHBondContact O-N 2.91Å; Y299-G302 PolarHBondContact O-N 2.92Å; L300-G302 VanDerWaalsContact C-N 3.25Å; L300-G302 PolarHBondContact O-N 2.7Å; G302-N305 PolarHBondContact O-N 2.92Å
303	E	90.1	Very high	92.6	Very high	124 Å²	124	33.2 Å²	33.2	58%	0.579	17%	0.167	S	C	*	.	S	Bend	trans	-72.9	-42.8	-176.3	-69.4	168.9	168.8	0	0	111.6	N305 S306	E303-N305 PolarHBondContact O-N 2.84Å; E303-S306 WeakPolarHBondContact O-CB 3.48Å; E303-S306 PolarHBondContact O-N 2.81Å
304	E	91.2	Very high	92.6	Very high	78 Å²	78	31.5 Å²	31.5	36%	0.364	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.1	173.1	-67.2	85.4	167.9	0	0	111.8	L275 K278 Y279 R799	L275-E304 HydrophobicContact CD2-CG 4.04Å; K278-E304 IonicContact NZ-OE1 2.77Å; K278-E304 PolarHBondContact NZ-OE1 3.47Å; K278-E304 IonicContact NZ-OE2 2.72Å; K278-E304 PolarHBondContact NZ-OE2 3.42Å; Y279-E304 PolarHBondContact OH-OE2 3.41Å; E304-R799 PolarHBondContact O-NH1 2.83Å
305	N	94.6	Very high	92.6	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	6.9	179.2	-159	54.5	0	0	0	114.7	Q254 Y299 L300 G302 E303 Y802 R803	Q254-N305 PolarHBondContact NE2-OD1 3.48Å; Y299-N305 HydrophobicContact CE1-CB 4.31Å; Y299-N305 VanDerWaalsContact O-CB 3.25Å; Y299-N305 WeakPolarHBondContact O-CB 3.09Å; L300-N305 WeakPolarHBondContact CA-ND2 3.32Å; L300-N305 PolarHBondContact O-ND2 3.11Å; G302-N305 PolarHBondContact O-N 2.92Å; E303-N305 PolarHBondContact O-N 2.84Å; N305-Y802 PolarHBondContact ND2-O 3.27Å; N305-R803 WeakPolarHBondContact O-CD 3.43Å; N305-R803 PolarHBondContact O-NH1 3.26Å; N305-R803 PolarHBondContact OD1-NH1 3.2Å
306	S	92.6	Very high	92.2	Very high	34 Å²	34	32.8 Å²	32.8	24%	0.238	17%	0.167	C	C	.	.			trans	-51.8	139.8	173.3	177.1	0	0	0	0	113	E303 I308 R799 R803	E303-S306 WeakPolarHBondContact O-CB 3.48Å; E303-S306 PolarHBondContact O-N 2.81Å; S306-I308 PolarHBondContact OG-N 3.5Å; S306-I308 PolarHBondContact OG-O 2.96Å; S306-R799 WeakPolarHBondContact O-CD 3.27Å; S306-R799 PolarHBondContact O-NH1 3.31Å; S306-R799 VanDerWaalsContact O-NH1 3.17Å; S306-R803 PolarHBondContact O-NH1 2.98Å
307	I	94.3	Very high	92.1	Very high	9 Å²	9	35 Å²	35	5%	0.046	18%	0.177	C	C	.	.	S	Bend	trans	-70.4	-28.7	177	-168.1	166.1	0	0	0	113.5	M793 I798 R799 R803 I805 V822	I307-M793 HydrophobicContact CD1-CE 3.98Å; I307-M793 HydrophobicContact CD1-SD 3.83Å; I307-M793 HydrophobicContact CG1-SD 4.2Å; I307-M793 HydrophobicContact CG2-SD 4.04Å; I307-I798 HydrophobicContact CD1-CG2 4.45Å; I307-I798 HydrophobicContact CG1-CG2 4.27Å; I307-R799 PolarHBondContact O-N 2.83Å; I307-R803 HydrophobicContact CB-CB 3.99Å; I307-R803 HydrophobicContact CB-CG 4.14Å; I307-R803 HydrophobicContact CD1-CB 4.07Å; I307-R803 HydrophobicContact CD1-CG 4.38Å; I307-R803 HydrophobicContact CG1-CB 4.16Å; I307-R803 HydrophobicContact CG1-CG 4.1Å; I307-I805 HydrophobicContact CD1-CD1 3.78Å; I307-I805 HydrophobicContact CD1-CG1 3.73Å; I307-I805 HydrophobicContact CG2-CG1 4.47Å; I307-V822 HydrophobicContact CD1-CG2 4.4Å
308	I	92.8	Very high	92.1	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	18%	0.183	C	C	.	.	S	Bend	trans	-107.5	127.7	172.8	-61.2	-55.7	0	0	0	108.8	S306 K312 L313 Y673 M793 A797	S306-I308 PolarHBondContact OG-N 3.5Å; S306-I308 PolarHBondContact OG-O 2.96Å; I308-K312 HydrophobicContact CG2-CB 4.37Å; I308-L313 HydrophobicContact CG2-CD1 4.23Å; I308-L313 HydrophobicContact CG2-CD2 3.95Å; I308-L313 HydrophobicContact CG2-CG 3.79Å; I308-Y673 HydrophobicContact CD1-CE1 4.37Å; I308-Y673 HydrophobicContact CG2-CE1 3.91Å; I308-M793 HydrophobicContact CD1-CB 4.14Å; I308-M793 HydrophobicContact CD1-CG 4.06Å; I308-M793 HydrophobicContact CD1-SD 4.23Å; I308-A797 HydrophobicContact CD1-CB 4.33Å
309	P	87.8	Confident	92.2	Very high	15 Å²	15	33.6 Å²	33.6	10%	0.097	17%	0.172	C	C	.	.			trans	-64.7	135.5	171.7	-10.6	21.6	0	0	0	111.4	E311 K312 A797 R799	P309-E311 WeakPolarHBondContact CA-OE2 3.41Å; P309-E311 WeakPolarHBondContact CB-OE2 3.35Å; P309-E311 PolarHBondContact O-N 3.22Å; P309-E311 VanDerWaalsContact O-N 3.14Å; P309-K312 HydrophobicContact CB-CB 4.5Å; P309-K312 HydrophobicContact CB-CG 4.01Å; P309-K312 HydrophobicContact CG-CB 4.44Å; P309-K312 HydrophobicContact CG-CG 3.7Å; P309-K312 WeakPolarHBondContact O-CB 3.16Å; P309-K312 PolarHBondContact O-N 3.05Å; P309-A797 WeakPolarHBondContact CD-O 3.29Å; P309-R799 HydrophobicContact CG-CG 4.05Å
310	P	89.3	Confident	92.3	Very high	35 Å²	35	36.8 Å²	36.8	23%	0.227	19%	0.193	C	C	.	.	H	α-helix	trans	-51.5	-34.4	171.8	-28.3	36.7	0	0	0	113.4	L11 L143 K312 L313 D314	L11-P310 HydrophobicContact CD1-CB 3.77Å; L11-P310 HydrophobicContact CD2-CB 3.86Å; L143-P310 HydrophobicContact CD2-CB 4.15Å; P310-K312 PolarHBondContact O-N 2.97Å; P310-L313 PolarHBondContact O-N 3.08Å; P310-D314 PolarHBondContact O-N 2.85Å
311	E	87.1	Confident	92.4	Very high	66 Å²	66	39.8 Å²	39.8	31%	0.308	21%	0.206	S	C	.	.	H	α-helix	trans	-68.1	-14.7	179.8	-46.4	81.2	177.5	0	0	113.2	L11 P309 S316 R799	L11-E311 HydrophobicContact CD1-CG 4.48Å; P309-E311 WeakPolarHBondContact CA-OE2 3.41Å; P309-E311 WeakPolarHBondContact CB-OE2 3.35Å; P309-E311 PolarHBondContact O-N 3.22Å; P309-E311 VanDerWaalsContact O-N 3.14Å; E311-S316 WeakPolarHBondContact O-CB 3.09Å; E311-S316 PolarHBondContact O-OG 3.44Å; E311-R799 IonicContact OE2-NH2 2.71Å
312	K	89.3	Confident	92.6	Very high	87 Å²	87	40.1 Å²	40.1	38%	0.378	21%	0.209	S	C	.	.	H	α-helix	trans	-93.6	-20.7	172.3	-63.1	-63.8	-174.7	-178.4	0	112.9	I308 P309 P310 Y673 A797	I308-K312 HydrophobicContact CG2-CB 4.37Å; P309-K312 HydrophobicContact CB-CB 4.5Å; P309-K312 HydrophobicContact CB-CG 4.01Å; P309-K312 HydrophobicContact CG-CB 4.44Å; P309-K312 HydrophobicContact CG-CG 3.7Å; P309-K312 WeakPolarHBondContact O-CB 3.16Å; P309-K312 PolarHBondContact O-N 3.05Å; P310-K312 PolarHBondContact O-N 2.97Å; K312-Y673 WeakPolarHBondContact O-CD1 3.42Å; K312-A797 HydrophobicContact CB-CB 4.14Å; K312-A797 HydrophobicContact CD-CB 4.48Å; K312-A797 HydrophobicContact CG-CB 4.07Å
313	L	92.1	Very high	92.8	Very high	5 Å²	5	40 Å²	40	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-82.7	-33	173	-64.5	169.2	0	0	0	111.3	L13 N146 I308 P310 E672 Y673 G675	L13-L313 HydrophobicContact CD1-CB 4.09Å; N146-L313 HydrophobicContact CB-CD1 3.51Å; I308-L313 HydrophobicContact CG2-CD1 4.23Å; I308-L313 HydrophobicContact CG2-CD2 3.95Å; I308-L313 HydrophobicContact CG2-CG 3.79Å; P310-L313 PolarHBondContact O-N 3.08Å; L313-E672 HydrophobicContact CD2-CG 4.25Å; L313-Y673 HydrophobicContact CD2-CD1 4.13Å; L313-Y673 HydrophobicContact CD2-CE1 4.04Å; L313-G675 VanDerWaalsContact O-CA 3.3Å; L313-G675 WeakPolarHBondContact O-CA 3.36Å; L313-G675 PolarHBondContact O-N 3.17Å
314	D	93.1	Very high	93.2	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.032	18%	0.181	C	C	.	.	S	Bend	trans	-65.2	166	177.6	-161.9	10.6	0	0	0	113.4	H9 L11 Q12 L13 P310 S316 N674 G675	H9-D314 IonicContact CD2-OD2 2.78Å; H9-D314 IonicContact CE1-OD2 3.54Å; H9-D314 IonicContact NE2-OD2 3.6Å; H9-D314 PolarHBondContact NE2-OD2 3.02Å; L11-D314 HydrophobicContact CD1-CB 3.92Å; Q12-D314 PolarHBondContact N-OD2 3.29Å; L13-D314 HydrophobicContact CD1-CB 3.91Å; L13-D314 HydrophobicContact CG-CB 3.82Å; P310-D314 PolarHBondContact O-N 2.85Å; D314-S316 VanDerWaalsContact C-N 3.26Å; D314-S316 PolarHBondContact O-N 3.27Å; D314-N674 CarbonylContact O-C 3.46Å; D314-N674 VanDerWaalsContact O-CA 3.25Å; D314-N674 WeakPolarHBondContact O-CA 3.5Å; D314-G675 VanDerWaalsContact C-N 3.31Å; D314-G675 PolarHBondContact O-N 2.89Å
315	Q	91.1	Very high	93.6	Very high	56 Å²	56	31.6 Å²	31.6	26%	0.262	17%	0.169	S	C	.	.	S	Bend	trans	-76.9	76.5	175.7	-162.9	-90.7	-82.7	0	0	110	H9 E317 M319 F407 N674	H9-Q315 PolarHBondContact CE1-O 3.27Å; Q315-E317 PolarHBondContact NE2-O 3.4Å; Q315-E317 VanDerWaalsContact NE2-O 3.09Å; Q315-M319 VanDerWaalsContact NE2-CG 3.35Å; Q315-F407 HydrophobicContact CG-CE2 4.3Å; Q315-N674 WeakPolarHBondContact CA-OD1 3.36Å
316	S	87.6	Confident	93.8	Very high	43 Å²	43	31.5 Å²	31.5	30%	0.301	17%	0.168	S	C	.	.			trans	-108.8	0.5	-174.5	62.3	0	0	0	0	115	H9 E311 D314 N674	H9-S316 VanDerWaalsContact CG-CB 3.47Å; H9-S316 WeakPolarHBondContact ND1-CB 3.46Å; E311-S316 WeakPolarHBondContact O-CB 3.09Å; E311-S316 PolarHBondContact O-OG 3.44Å; D314-S316 VanDerWaalsContact C-N 3.26Å; D314-S316 PolarHBondContact O-N 3.27Å; S316-N674 PolarHBondContact N-OD1 2.96Å
317	E	92.8	Very high	94.1	Very high	46 Å²	46	30 Å²	30	22%	0.215	16%	0.158	C	C	.	.	S	Bend	trans	-90.2	146	174.6	-60.4	-175.8	169.2	0	0	111.3	Q315 M319 N674 R680 L681	Q315-E317 PolarHBondContact NE2-O 3.4Å; Q315-E317 VanDerWaalsContact NE2-O 3.09Å; E317-M319 WeakPolarHBondContact O-CG 3.4Å; E317-M319 PolarHBondContact O-N 3.37Å; E317-N674 HydrophobicContact CG-CB 4.29Å; E317-N674 PolarHBondContact N-OD1 2.9Å; E317-N674 VanDerWaalsContact N-OD1 3.1Å; E317-R680 IonicContact OE1-CZ 3.16Å; E317-R680 IonicContact OE1-NH1 2.66Å; E317-R680 PolarHBondContact OE1-NH1 3.48Å; E317-R680 IonicContact OE1-NH2 3.52Å; E317-R680 PolarHBondContact OE1-NH2 3.31Å; E317-R680 IonicContact OE2-CZ 2.71Å; E317-R680 IonicContact OE2-NH1 3.08Å; E317-R680 PolarHBondContact OE2-NH1 3.07Å; E317-R680 IonicContact OE2-NH2 2.8Å; E317-L681 HydrophobicContact CB-CB 4.15Å; E317-L681 PolarHBondContact OE2-N 3.14Å
318	D	94.9	Very high	94.3	Very high	53 Å²	53	29.6 Å²	29.6	28%	0.283	16%	0.155	S	C	.	.			trans	-65.6	122	179.4	-175.1	-13.7	0	0	0	110.6	T320 F321 Y326 L681	D318-T320 WeakPolarHBondContact OD1-CB 3.47Å; D318-T320 PolarHBondContact OD1-N 3.43Å; D318-T320 PolarHBondContact OD1-OG1 2.84Å; D318-F321 HydrophobicContact CB-CD2 4.18Å; D318-F321 HydrophobicContact CB-CE2 3.93Å; D318-F321 VanDerWaalsContact OD2-CE2 3.23Å; D318-F321 WeakPolarHBondContact OD2-CE2 3.2Å; D318-Y326 WeakPolarHBondContact O-CE1 3.3Å; D318-Y326 PolarHBondContact O-OH 3.44Å; D318-L681 HydrophobicContact CB-CD2 4.3Å
319	M	97.2	Very high	94.6	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.03	16%	0.155	C	C	.	.			trans	-102	10.2	-177.3	-59.5	-56.9	-73.5	0	0	113.4	Q315 E317 Y326 F407 S456 P457 M458 N674 Y679	Q315-M319 VanDerWaalsContact NE2-CG 3.35Å; E317-M319 WeakPolarHBondContact O-CG 3.4Å; E317-M319 PolarHBondContact O-N 3.37Å; M319-Y326 VanDerWaalsContact C-OH 3.23Å; M319-Y326 VanDerWaalsContact CA-OH 3.23Å; M319-Y326 WeakPolarHBondContact CA-OH 3.44Å; M319-Y326 HydrophobicContact CE-CE1 4.39Å; M319-Y326 HydrophobicContact SD-CD1 4.44Å; M319-Y326 HydrophobicContact SD-CE1 3.8Å; M319-F407 HydrophobicContact CB-CE1 3.79Å; M319-F407 HydrophobicContact CB-CZ 4.18Å; M319-F407 HydrophobicContact CE-CD1 3.54Å; M319-F407 HydrophobicContact CE-CD2 4.29Å; M319-F407 HydrophobicContact CE-CE1 3.42Å; M319-F407 VanDerWaalsContact CE-CE1 3.42Å; M319-F407 HydrophobicContact CE-CE2 4.18Å; M319-F407 HydrophobicContact CE-CG 3.97Å; M319-F407 HydrophobicContact CE-CZ 3.76Å; M319-F407 HydrophobicContact CG-CE1 3.79Å; M319-F407 HydrophobicContact CG-CZ 3.73Å; M319-F407 HydrophobicContact SD-CE1 4.48Å; M319-S456 WeakPolarHBondContact O-CB 3.37Å; M319-P457 HydrophobicContact CE-CB 3.84Å; M319-P457 HydrophobicContact CE-CG 4.29Å; M319-P457 WeakPolarHBondContact O-CD 3.21Å; M319-M458 HydrophobicContact CB-CB 4.22Å; M319-M458 VanDerWaalsContact O-CB 3.28Å; M319-M458 WeakPolarHBondContact O-CB 3.41Å; M319-M458 PolarHBondContact O-N 3.34Å; M319-M458 VanDerWaalsContact O-N 3.16Å; M319-N674 PolarHBondContact SD-ND2 3.09Å; M319-Y679 HydrophobicContact CE-CD2 4.46Å; M319-Y679 HydrophobicContact CE-CG 4.07Å
320	T	97.2	Very high	95.1	Very high	78 Å²	78	28.9 Å²	28.9	48%	0.479	15%	0.151	S	C	.	.			trans	-98.1	-3.1	-175.7	70.6	0	0	0	0	114.7	D318 Y326 S456 M458	D318-T320 WeakPolarHBondContact OD1-CB 3.47Å; D318-T320 PolarHBondContact OD1-N 3.43Å; D318-T320 PolarHBondContact OD1-OG1 2.84Å; T320-Y326 PolarHBondContact N-OH 3.33Å; T320-S456 VanDerWaalsContact C-CB 3.43Å; T320-S456 WeakPolarHBondContact O-CB 3.37Å; T320-M458 HydrophobicContact CG2-SD 3.88Å
321	F	98.1	Very high	95.5	Very high	65 Å²	65	27.2 Å²	27.2	29%	0.285	14%	0.14	S	C	.	.	S	Bend	trans	-76.3	160.4	173.4	-70.4	-74.1	0	0	0	111.8	D318 H325 Y326 S456 P457 L681	D318-F321 HydrophobicContact CB-CD2 4.18Å; D318-F321 HydrophobicContact CB-CE2 3.93Å; D318-F321 VanDerWaalsContact OD2-CE2 3.23Å; D318-F321 WeakPolarHBondContact OD2-CE2 3.2Å; F321-H325 HydrophobicContact CB-CB 3.91Å; F321-H325 AromaticContact CD1-ND1 3.7Å; F321-H325 AromaticContact CG-ND1 3.87Å; F321-Y326 HydrophobicContact CB-CE2 3.99Å; F321-Y326 WeakPolarHBondContact CB-OH 3.49Å; F321-Y326 PolarHBondContact N-OH 2.79Å; F321-Y326 WeakPolarHBondContact O-CE2 3.42Å; F321-S456 WeakPolarHBondContact O-CA 3.45Å; F321-S456 WeakPolarHBondContact O-CB 3.33Å; F321-P457 VanDerWaalsContact O-CD 3.24Å; F321-P457 WeakPolarHBondContact O-CD 3.32Å; F321-L681 HydrophobicContact CB-CD1 4.46Å; F321-L681 HydrophobicContact CD2-CD1 3.8Å; F321-L681 HydrophobicContact CD2-CD2 4.22Å; F321-L681 HydrophobicContact CE2-CD2 4.25Å; F321-L681 HydrophobicContact CG-CD1 4.41Å
322	P	98.2	Very high	96	Very high	27 Å²	27	24.9 Å²	24.9	18%	0.175	13%	0.129	C	C	.	.			trans	-52.1	148.3	173.1	-31.4	38.2	0	0	0	114.3	S324 H325 Y326 P453 L454	P322-S324 PolarHBondContact O-N 3.12Å; P322-H325 VanDerWaalsContact O-CB 3.25Å; P322-H325 WeakPolarHBondContact O-CB 3.38Å; P322-H325 PolarHBondContact O-N 3.36Å; P322-Y326 WeakPolarHBondContact O-CD2 3.48Å; P322-Y326 WeakPolarHBondContact O-CE2 3.38Å; P322-P453 HydrophobicContact CB-CB 4.37Å; P322-P453 HydrophobicContact CG-CB 3.94Å; P322-L454 WeakPolarHBondContact CA-O 3.25Å; P322-L454 HydrophobicContact CB-CB 4.44Å; P322-L454 VanDerWaalsContact CB-O 3.28Å; P322-L454 WeakPolarHBondContact CB-O 3.41Å
323	L	98.3	Very high	96.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-54.5	-29.3	-179.1	-168.9	63.2	0	0	0	114.1	H325 I328 I410 L454 P455 P457 I578 L625 Y679	L323-H325 PolarHBondContact O-N 2.75Å; L323-I328 HydrophobicContact CD1-CD1 4.04Å; L323-I328 HydrophobicContact CG-CD1 4.22Å; L323-I410 HydrophobicContact CD2-CD1 4.45Å; L323-L454 HydrophobicContact CB-CB 3.99Å; L323-L454 HydrophobicContact CB-CD1 4.17Å; L323-P455 WeakPolarHBondContact CB-O 3.49Å; L323-P455 PolarHBondContact N-O 3.31Å; L323-P457 HydrophobicContact CD1-CG 4.07Å; L323-I578 HydrophobicContact CD2-CD1 3.9Å; L323-L625 HydrophobicContact CD2-CD1 4.22Å; L323-Y679 HydrophobicContact CD1-CE1 3.61Å
324	S	98.2	Very high	96.6	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.021	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-62.7	-18.7	173.9	55.4	0	0	0	0	114.4	P322 K622 Q651 K682	P322-S324 PolarHBondContact O-N 3.12Å; S324-K622 VanDerWaalsContact CB-O 3.26Å; S324-K622 WeakPolarHBondContact CB-O 3.48Å; S324-K622 PolarHBondContact OG-O 3.14Å; S324-Q651 WeakPolarHBondContact O-CG 3.17Å; S324-Q651 PolarHBondContact O-NE2 2.92Å; S324-K682 WeakPolarHBondContact O-CE 3.32Å; S324-K682 PolarHBondContact O-NZ 3.5Å
325	H	98.6	Very high	96.7	Very high	23 Å²	23	20.5 Å²	20.5	11%	0.106	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-85.3	2.1	-175.7	-76	-171.8	0	0	0	114.8	F321 P322 L323 K622 L681 K682 R687	F321-H325 HydrophobicContact CB-CB 3.91Å; F321-H325 AromaticContact CD1-ND1 3.7Å; F321-H325 AromaticContact CG-ND1 3.87Å; P322-H325 VanDerWaalsContact O-CB 3.25Å; P322-H325 WeakPolarHBondContact O-CB 3.38Å; P322-H325 PolarHBondContact O-N 3.36Å; L323-H325 PolarHBondContact O-N 2.75Å; H325-K622 PolarHBondContact CD2-O 2.73Å; H325-L681 HydrophobicContact CB-CD1 4.43Å; H325-K682 VanDerWaalsContact O-CB 3.25Å; H325-K682 WeakPolarHBondContact O-CB 3.28Å; H325-K682 WeakPolarHBondContact O-CG 3.47Å; H325-K682 PolarHBondContact O-N 3.21Å; H325-R687 VanDerWaalsContact CB-CD 3.48Å; H325-R687 HydrophobicContact CB-CG 3.93Å
326	Y	98.7	Very high	96.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.7	-177.1	-58.8	-95.6	0	0	0	111.8	D318 M319 T320 F321 P322 P457 Q651 Y679 R680 L681	D318-Y326 WeakPolarHBondContact O-CE1 3.3Å; D318-Y326 PolarHBondContact O-OH 3.44Å; M319-Y326 VanDerWaalsContact C-OH 3.23Å; M319-Y326 VanDerWaalsContact CA-OH 3.23Å; M319-Y326 WeakPolarHBondContact CA-OH 3.44Å; M319-Y326 HydrophobicContact CE-CE1 4.39Å; M319-Y326 HydrophobicContact SD-CD1 4.44Å; M319-Y326 HydrophobicContact SD-CE1 3.8Å; T320-Y326 PolarHBondContact N-OH 3.33Å; F321-Y326 HydrophobicContact CB-CE2 3.99Å; F321-Y326 WeakPolarHBondContact CB-OH 3.49Å; F321-Y326 PolarHBondContact N-OH 2.79Å; F321-Y326 WeakPolarHBondContact O-CE2 3.42Å; P322-Y326 WeakPolarHBondContact O-CD2 3.48Å; P322-Y326 WeakPolarHBondContact O-CE2 3.38Å; Y326-P457 HydrophobicContact CD2-CG 3.72Å; Y326-P457 HydrophobicContact CE1-CG 4.45Å; Y326-P457 HydrophobicContact CE2-CG 3.58Å; Y326-P457 HydrophobicContact CG-CG 4.27Å; Y326-Q651 VanDerWaalsContact O-CB 3.23Å; Y326-Q651 WeakPolarHBondContact O-CB 3.44Å; Y326-Q651 WeakPolarHBondContact O-CG 3.41Å; Y326-Y679 HydrophobicContact CG-CD1 4.17Å; Y326-R680 CarbonylContact C-O 3.6Å; Y326-R680 WeakPolarHBondContact CA-O 3.37Å; Y326-L681 HydrophobicContact CD1-CB 4.16Å; Y326-L681 HydrophobicContact CD1-CD1 4.13Å; Y326-L681 HydrophobicContact CE1-CB 3.99Å; Y326-L681 HydrophobicContact CE1-CD1 3.63Å; Y326-L681 HydrophobicContact CE1-CG 4.38Å; Y326-L681 HydrophobicContact CE2-CD1 4.39Å
327	F	98.8	Very high	96.8	Very high	4 Å²	4	17 Å²	17	2%	0.018	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	136.7	155.1	-55.4	-63.4	0	0	0	108.4	W646 C650 M670 Y671 Y679 R680 K682 L773	F327-W646 HydrophobicContact CD1-CB 4.27Å; F327-W646 AromaticContact CD1-CD1 3.57Å; F327-W646 HydrophobicContact CD1-CG 4.13Å; F327-W646 HydrophobicContact CE1-CB 3.77Å; F327-W646 AromaticContact CE1-CD1 3.93Å; F327-W646 HydrophobicContact CE1-CG 4.13Å; F327-W646 VanDerWaalsContact CE1-O 3.31Å; F327-W646 WeakPolarHBondContact CE1-O 3.45Å; F327-W646 HydrophobicContact CZ-CB 3.99Å; F327-W646 VanDerWaalsContact CZ-O 3.29Å; F327-W646 WeakPolarHBondContact CZ-O 3.46Å; F327-C650 WeakPolarHBondContact CD1-O 3.47Å; F327-M670 HydrophobicContact CB-CE 3.76Å; F327-M670 HydrophobicContact CD2-CE 3.31Å; F327-M670 HydrophobicContact CE2-CE 3.99Å; F327-M670 HydrophobicContact CG-CE 3.69Å; F327-Y671 VanDerWaalsContact C-OH 3.27Å; F327-Y671 WeakPolarHBondContact CB-OH 3.42Å; F327-Y679 WeakPolarHBondContact O-CA 3.47Å; F327-R680 HydrophobicContact CB-CB 4.36Å; F327-R680 PolarHBondContact N-O 3.46Å; F327-R680 PolarHBondContact O-N 2.97Å; F327-K682 HydrophobicContact CD1-CD 3.98Å; F327-K682 HydrophobicContact CD1-CG 3.97Å; F327-K682 HydrophobicContact CD2-CG 3.84Å; F327-K682 HydrophobicContact CE1-CD 3.64Å; F327-K682 HydrophobicContact CE1-CG 3.81Å; F327-K682 HydrophobicContact CE2-CB 4.36Å; F327-K682 HydrophobicContact CE2-CD 4.42Å; F327-K682 HydrophobicContact CE2-CG 3.71Å; F327-K682 HydrophobicContact CG-CG 4Å; F327-K682 HydrophobicContact CZ-CB 4.48Å; F327-K682 HydrophobicContact CZ-CD 3.9Å; F327-K682 HydrophobicContact CZ-CG 3.69Å; F327-L773 HydrophobicContact CE2-CD1 3.65Å; F327-L773 HydrophobicContact CZ-CD1 3.74Å
328	I	98.8	Very high	95.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.2	-170.1	-52.9	178.2	0	0	0	108.9	L323 S330 R360 L625 Q651 L652 Y671 Y679	L323-I328 HydrophobicContact CD1-CD1 4.04Å; L323-I328 HydrophobicContact CG-CD1 4.22Å; I328-S330 PolarHBondContact O-N 3.28Å; I328-S330 PolarHBondContact O-OG 2.96Å; I328-R360 HydrophobicContact CG2-CB 3.82Å; I328-L625 HydrophobicContact CD1-CD2 4.46Å; I328-Q651 HydrophobicContact CD1-CB 4.15Å; I328-Q651 HydrophobicContact CG1-CB 4.22Å; I328-Q651 PolarHBondContact N-O 3.31Å; I328-L652 HydrophobicContact CB-CD2 3.82Å; I328-L652 HydrophobicContact CD1-CD2 3.94Å; I328-L652 HydrophobicContact CD1-CG 4.46Å; I328-L652 HydrophobicContact CG1-CD2 4.42Å; I328-L652 HydrophobicContact CG2-CD2 3.78Å; I328-Y671 VanDerWaalsContact C-OH 3.24Å; I328-Y671 PolarHBondContact N-OH 2.79Å; I328-Y671 VanDerWaalsContact N-OH 3.12Å; I328-Y671 PolarHBondContact O-OH 3.36Å; I328-Y679 HydrophobicContact CB-CE1 4.29Å; I328-Y679 HydrophobicContact CD1-CD1 4.43Å; I328-Y679 HydrophobicContact CD1-CE1 3.72Å; I328-Y679 HydrophobicContact CG1-CD1 3.86Å; I328-Y679 HydrophobicContact CG1-CE1 3.57Å; I328-Y679 HydrophobicContact CG2-CE1 3.92Å
329	N	98.8	Very high	94.4	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	11%	0.111	C	C	.	.			trans	-62.6	119.5	-178.5	-167.9	9.7	0	0	0	110.4	G358 C359 R360 C361 F657 N667 Y671 G678	N329-G358 WeakPolarHBondContact CB-O 3.34Å; N329-G358 VanDerWaalsContact ND2-C 3.31Å; N329-G358 PolarHBondContact ND2-O 2.85Å; N329-C359 WeakPolarHBondContact ND2-CA 3.35Å; N329-C359 PolarHBondContact ND2-N 2.8Å; N329-C359 PolarHBondContact O-SG 2.82Å; N329-R360 PolarHBondContact O-N 3.24Å; N329-C361 PolarHBondContact O-N 2.84Å; N329-F657 WeakPolarHBondContact OD1-CZ 3.35Å; N329-N667 PolarHBondContact OD1-ND2 3.16Å; N329-Y671 HydrophobicContact CB-CD1 3.75Å; N329-Y671 HydrophobicContact CB-CD2 3.68Å; N329-Y671 HydrophobicContact CB-CE1 3.87Å; N329-Y671 HydrophobicContact CB-CE2 3.82Å; N329-Y671 HydrophobicContact CB-CG 3.65Å; N329-Y671 PolarHBondContact N-OH 2.94Å; N329-G678 PolarHBondContact N-O 3.32Å
330	S	98.8	Very high	93	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.9	-162	-63.3	0	0	0	0	113	I328 C361 L652 A654 L655 F657	I328-S330 PolarHBondContact O-N 3.28Å; I328-S330 PolarHBondContact O-OG 2.96Å; S330-C361 WeakPolarHBondContact OG-CB 3.41Å; S330-L652 WeakPolarHBondContact OG-CA 3.46Å; S330-A654 WeakPolarHBondContact O-CA 3.36Å; S330-L655 PolarHBondContact O-N 3.06Å; S330-L655 VanDerWaalsContact O-N 3.1Å; S330-F657 WeakPolarHBondContact O-CE2 3.18Å
331	S	98.5	Very high	92	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.8	176.5	176.2	0	0	0	0	111.6	T334 C361 R627 L655	S331-T334 VanDerWaalsContact CB-OG1 3.27Å; S331-T334 WeakPolarHBondContact CB-OG1 3.43Å; S331-T334 WeakPolarHBondContact OG-CB 3.34Å; S331-T334 PolarHBondContact OG-OG1 3.39Å; S331-C361 PolarHBondContact N-O 2.82Å; S331-R627 PolarHBondContact O-NH2 2.89Å; S331-L655 WeakPolarHBondContact CA-O 3.48Å
332	H	97.7	Very high	90.9	Very high	17 Å²	17	16.3 Å²	16.3	8%	0.079	11%	0.108	C	C	.	.	S	Bend	trans	-112.9	143.4	169.4	169.4	-103	0	0	0	109.3	T334 E363 P630 A654 L655 N656	H332-T334 PolarHBondContact O-N 3.12Å; H332-T334 VanDerWaalsContact O-N 3.16Å; H332-E363 WeakPolarHBondContact CA-OE2 3.25Å; H332-E363 IonicContact CD2-OE2 2.6Å; H332-E363 PolarHBondContact CD2-OE2 3.49Å; H332-E363 IonicContact CG-OE2 2.68Å; H332-P630 HydrophobicContact CB-CG 4.24Å; H332-A654 HydrophobicContact CB-CB 4.05Å; H332-L655 PolarHBondContact N-O 2.94Å; H332-N656 PolarHBondContact ND1-OD1 2.93Å
333	N	96.6	Very high	89.9	Confident	5 Å²	5	18.4 Å²	18.4	3%	0.027	13%	0.127	C	C	.	.	S	Bend	trans	40.3	51.2	-178.1	-66.6	3.1	0	0	0	113.1	Y335 L336 Q341 E363	N333-Y335 HydrophobicContact CB-CE1 4Å; N333-Y335 PolarHBondContact O-N 3.33Å; N333-L336 HydrophobicContact CB-CD1 3.89Å; N333-L336 HydrophobicContact CB-CG 4.26Å; N333-L336 PolarHBondContact O-N 3.09Å; N333-Q341 PolarHBondContact ND2-OE1 2.6Å; N333-E363 PolarHBondContact N-OE2 3.1Å
334	T	97.4	Very high	89	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.006	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.5	-165.7	-54.8	0	0	0	0	114.5	S331 H332 M350 Y351 V354 I362 E363	S331-T334 VanDerWaalsContact CB-OG1 3.27Å; S331-T334 WeakPolarHBondContact CB-OG1 3.43Å; S331-T334 WeakPolarHBondContact OG-CB 3.34Å; S331-T334 PolarHBondContact OG-OG1 3.39Å; H332-T334 PolarHBondContact O-N 3.12Å; H332-T334 VanDerWaalsContact O-N 3.16Å; T334-M350 WeakPolarHBondContact O-CB 3.16Å; T334-M350 WeakPolarHBondContact O-CG 3.46Å; T334-Y351 HydrophobicContact CG2-CD1 3.53Å; T334-Y351 HydrophobicContact CG2-CE1 3.76Å; T334-Y351 HydrophobicContact CG2-CG 4.16Å; T334-V354 HydrophobicContact CG2-CB 4.06Å; T334-V354 HydrophobicContact CG2-CG1 3.95Å; T334-V354 HydrophobicContact CG2-CG2 4.14Å; T334-I362 HydrophobicContact CG2-CB 4.06Å; T334-I362 HydrophobicContact CG2-CG2 3.86Å; T334-E363 PolarHBondContact OG1-N 3.24Å
335	Y	95.3	Very high	88.6	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.9	176.3	52.7	-85	0	0	0	113.8	N333 S346 S347 D365 I378 H380	N333-Y335 HydrophobicContact CB-CE1 4Å; N333-Y335 PolarHBondContact O-N 3.33Å; Y335-S346 WeakPolarHBondContact CD2-OG 3.37Å; Y335-S346 CarbonylContact O-C 3.59Å; Y335-S346 VanDerWaalsContact O-CA 3.26Å; Y335-S346 WeakPolarHBondContact O-CA 3.49Å; Y335-S347 PolarHBondContact O-N 3.19Å; Y335-D365 HydrophobicContact CE1-CB 3.83Å; Y335-D365 VanDerWaalsContact CE1-CG 3.41Å; Y335-D365 WeakPolarHBondContact CE1-OD1 3.46Å; Y335-D365 VanDerWaalsContact OH-CG 3.27Å; Y335-D365 PolarHBondContact OH-OD2 3.43Å; Y335-I378 HydrophobicContact CD1-CG2 3.58Å; Y335-I378 HydrophobicContact CD2-CG2 4.22Å; Y335-I378 HydrophobicContact CE1-CG2 4.19Å; Y335-I378 HydrophobicContact CG-CG2 3.62Å; Y335-H380 HydrophobicContact CE2-CB 4.08Å; Y335-H380 WeakPolarHBondContact OH-CA 3.25Å; Y335-H380 VanDerWaalsContact OH-CB 3.3Å; Y335-H380 WeakPolarHBondContact OH-CB 3.37Å
336	L	93	Very high	88.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-77	131.2	-173.1	-67	179.9	0	0	0	113.3	N333 Q341 T385	N333-L336 HydrophobicContact CB-CD1 3.89Å; N333-L336 HydrophobicContact CB-CG 4.26Å; N333-L336 PolarHBondContact O-N 3.09Å; L336-Q341 VanDerWaalsContact CD1-OE1 3.29Å; L336-T385 HydrophobicContact CD2-CG2 3.76Å
337	T	86.8	Confident	88.1	Confident	26 Å²	26	24.1 Å²	24.1	16%	0.16	16%	0.163	C	C	.	.			trans	-103.8	-12.5	-178.5	59	0	0	0	0	115	V113 N345 M350	V113-T337 VanDerWaalsContact CG1-O 3.23Å; V113-T337 WeakPolarHBondContact CG1-O 3.42Å; V113-T337 VanDerWaalsContact CG2-O 3.27Å; V113-T337 WeakPolarHBondContact CG2-O 3.45Å; T337-N345 PolarHBondContact N-O 3.27Å; T337-N345 PolarHBondContact OG1-O 2.87Å; T337-M350 HydrophobicContact CG2-CB 4.08Å; T337-M350 HydrophobicContact CG2-CG 4.33Å; T337-M350 HydrophobicContact CG2-SD 4.3Å
338	A	74.3	Confident	88	Confident	37 Å²	37	25.4 Å²	25.4	31%	0.306	17%	0.171	S	C	.	.	S	Bend	trans	-117.3	156.5	-173.6	0	0	0	0	0	113.2	G340 S637 Q658	A338-G340 PolarHBondContact O-N 2.78Å; A338-S637 PolarHBondContact O-OG 2.64Å; A338-Q658 WeakPolarHBondContact O-CG 3.38Å
339	A	62.7	Low	87.8	Confident	74 Å²	74	26.4 Å²	26.4	61%	0.612	18%	0.175	S	C	*	.	S	Bend	trans	-73.5	52.4	173.8	0	0	0	0	0	112.4	D636	A339-D636 CarbonylContact C-O 3.59Å; A339-D636 WeakPolarHBondContact CA-O 3.14Å
340	G	68.1	Low	87.7	Confident	19 Å²	19	26.4 Å²	26.4	20%	0.196	18%	0.175	C	C	.	.			trans	-165.6	103	-177.8	0	0	0	0	0	111.6	A338 L342 G344 V635 S637	A338-G340 PolarHBondContact O-N 2.78Å; G340-L342 PolarHBondContact O-N 3.39Å; G340-G344 WeakPolarHBondContact O-CA 3.5Å; G340-G344 PolarHBondContact O-N 3.35Å; G340-V635 CarbonylContact C-O 3.52Å; G340-V635 VanDerWaalsContact CA-O 3.29Å; G340-V635 WeakPolarHBondContact CA-O 3.07Å; G340-S637 PolarHBondContact N-OG 2.75Å
341	Q	77.1	Confident	87.6	Confident	9 Å²	9	26.4 Å²	26.4	4%	0.042	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.6	179.1	-62.2	-74.3	-42.1	0	0	112.8	N333 L336 H380 T385 R634 V635 S637 N656	N333-Q341 PolarHBondContact ND2-OE1 2.6Å; L336-Q341 VanDerWaalsContact CD1-OE1 3.29Å; Q341-H380 PolarHBondContact O-ND1 3.03Å; Q341-T385 WeakPolarHBondContact O-CG2 3.39Å; Q341-R634 WeakPolarHBondContact CG-O 3.34Å; Q341-V635 PolarHBondContact N-O 2.84Å; Q341-S637 PolarHBondContact NE2-OG 2.94Å; Q341-N656 PolarHBondContact NE2-OD1 3.44Å
342	L	74.8	Confident	87.5	Confident	94 Å²	94	27.3 Å²	27.3	49%	0.492	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-17.3	-172.4	-60.2	178.7	0	0	0	114.9	G340 T383 M384 V635	G340-L342 PolarHBondContact O-N 3.39Å; L342-T383 HydrophobicContact CD2-CG2 4.05Å; L342-T383 WeakPolarHBondContact O-CB 3.46Å; L342-M384 WeakPolarHBondContact O-CB 3.45Å; L342-M384 PolarHBondContact O-N 3Å; L342-V635 HydrophobicContact CD1-CB 4.12Å; L342-V635 HydrophobicContact CD1-CG1 3.95Å; L342-V635 HydrophobicContact CD2-CG1 4.49Å; L342-V635 HydrophobicContact CG-CB 4.23Å; L342-V635 HydrophobicContact CG-CG1 4.15Å
343	A	77.4	Confident	87.5	Confident	71 Å²	71	26.7 Å²	26.7	59%	0.587	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-155.2	20.6	-172.7	0	0	0	0	0	113.1	M384	A343-M384 HydrophobicContact CB-CB 4.22Å
344	G	78.5	Confident	87.5	Confident	3 Å²	3	26.4 Å²	26.4	3%	0.031	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-77.3	155	176.7	0	0	0	0	0	112.8	G340 T385	G340-G344 WeakPolarHBondContact O-CA 3.5Å; G340-G344 PolarHBondContact O-N 3.35Å; G344-T385 VanDerWaalsContact O-CA 3.28Å; G344-T385 WeakPolarHBondContact O-CA 3.26Å; G344-T385 VanDerWaalsContact O-CB 3.32Å; G344-T385 WeakPolarHBondContact O-CB 3.28Å; G344-T385 WeakPolarHBondContact O-CG2 3.31Å
345	N	89.3	Confident	87.5	Confident	97 Å²	97	26.4 Å²	26.4	52%	0.519	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-78.2	132.6	172.6	-66	-22.1	0	0	0	110.1	T337	T337-N345 PolarHBondContact N-O 3.27Å; T337-N345 PolarHBondContact OG1-O 2.87Å
346	S	93.4	Very high	87.5	Confident	9 Å²	9	26.9 Å²	26.9	6%	0.063	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-83.1	143.9	166.9	-52.3	0	0	0	0	110.2	Y335 T386 I388	Y335-S346 WeakPolarHBondContact CD2-OG 3.37Å; Y335-S346 CarbonylContact O-C 3.59Å; Y335-S346 VanDerWaalsContact O-CA 3.26Å; Y335-S346 WeakPolarHBondContact O-CA 3.49Å; S346-T386 WeakPolarHBondContact CB-O 3.35Å; S346-T386 PolarHBondContact N-OG1 3.19Å; S346-T386 PolarHBondContact O-OG1 3.21Å; S346-T386 PolarHBondContact OG-O 2.8Å; S346-I388 WeakPolarHBondContact O-CG2 3.42Å
347	S	94.6	Very high	87.5	Confident	38 Å²	38	27.7 Å²	27.7	27%	0.266	18%	0.183	S	C	.	.			trans	-145.9	132.7	-179.9	-176.6	0	0	0	0	113.6	Y335 E349 M350	Y335-S347 PolarHBondContact O-N 3.19Å; S347-E349 VanDerWaalsContact C-N 3.25Å; S347-E349 PolarHBondContact O-N 2.85Å; S347-E349 PolarHBondContact OG-N 3.34Å; S347-M350 WeakPolarHBondContact O-CB 3.22Å; S347-M350 PolarHBondContact O-N 2.89Å
348	V	96.1	Very high	88	Confident	30 Å²	30	26.5 Å²	26.5	18%	0.182	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-37	170.8	177.4	0	0	0	0	111.5	M350 Y351 I388 E392 V393 A396	V348-M350 VanDerWaalsContact C-N 3.28Å; V348-M350 PolarHBondContact O-N 2.85Å; V348-Y351 PolarHBondContact O-N 3.23Å; V348-I388 HydrophobicContact CG2-CB 4.17Å; V348-I388 HydrophobicContact CG2-CD1 4.21Å; V348-E392 HydrophobicContact CG1-CB 4.2Å; V348-E392 WeakPolarHBondContact CG1-O 3.33Å; V348-E392 HydrophobicContact CG2-CB 3.85Å; V348-V393 HydrophobicContact CG2-CG2 4.03Å; V348-A396 HydrophobicContact CG1-CB 3.48Å; V348-A396 VanDerWaalsContact CG1-CB 3.48Å
349	E	94.9	Very high	89.1	Confident	22 Å²	22	24.7 Å²	24.7	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-69.4	-24.6	-178	-179.8	62.6	-139	0	0	112.6	R73 I115 S347 Y351 K352 Q353	R73-E349 IonicContact CZ-OE1 3.66Å; R73-E349 IonicContact CZ-OE2 3.1Å; R73-E349 IonicContact NH1-OE1 2.67Å; R73-E349 IonicContact NH1-OE2 2.63Å; R73-E349 PolarHBondContact NH1-OE2 3.47Å; R73-E349 IonicContact NH2-OE1 2.74Å; R73-E349 PolarHBondContact NH2-OE1 3.06Å; R73-E349 IonicContact NH2-OE2 3.2Å; R73-E349 PolarHBondContact NH2-OE2 3.37Å; R73-E349 VanDerWaalsContact NH2-OE2 3.15Å; I115-E349 HydrophobicContact CD1-CG 3.44Å; I115-E349 VanDerWaalsContact CD1-CG 3.44Å; S347-E349 VanDerWaalsContact C-N 3.25Å; S347-E349 PolarHBondContact O-N 2.85Å; S347-E349 PolarHBondContact OG-N 3.34Å; E349-Y351 VanDerWaalsContact C-N 3.28Å; E349-Y351 PolarHBondContact O-N 3.33Å; E349-K352 WeakPolarHBondContact O-CB 3.49Å; E349-K352 PolarHBondContact O-N 2.87Å; E349-Q353 HydrophobicContact CG-CG 4.33Å; E349-Q353 WeakPolarHBondContact O-CG 3.35Å; E349-Q353 PolarHBondContact O-N 2.93Å; E349-Q353 PolarHBondContact OE1-NE2 3.38Å
350	M	95.7	Very high	90.8	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-38.3	177.6	-166.5	64.8	177.9	0	0	111.2	M112 V113 T334 T337 S347 V348 K352 Q353 V354 F657 Q658	M112-M350 HydrophobicContact CB-SD 4.4Å; V113-M350 HydrophobicContact CG2-CE 4.18Å; V113-M350 HydrophobicContact CG2-SD 4.11Å; T334-M350 WeakPolarHBondContact O-CB 3.16Å; T334-M350 WeakPolarHBondContact O-CG 3.46Å; T337-M350 HydrophobicContact CG2-CB 4.08Å; T337-M350 HydrophobicContact CG2-CG 4.33Å; T337-M350 HydrophobicContact CG2-SD 4.3Å; S347-M350 WeakPolarHBondContact O-CB 3.22Å; S347-M350 PolarHBondContact O-N 2.89Å; V348-M350 VanDerWaalsContact C-N 3.28Å; V348-M350 PolarHBondContact O-N 2.85Å; M350-K352 VanDerWaalsContact C-N 3.33Å; M350-K352 PolarHBondContact O-N 3.49Å; M350-Q353 PolarHBondContact O-N 3.2Å; M350-V354 HydrophobicContact CE-CG2 4.16Å; M350-V354 HydrophobicContact CG-CG2 4.32Å; M350-V354 VanDerWaalsContact O-CB 3.32Å; M350-V354 WeakPolarHBondContact O-CB 3.35Å; M350-V354 VanDerWaalsContact O-CG2 3.23Å; M350-V354 WeakPolarHBondContact O-CG2 3.41Å; M350-V354 PolarHBondContact O-N 2.79Å; M350-F657 HydrophobicContact CE-CB 4.04Å; M350-Q658 HydrophobicContact CE-CB 3.94Å
351	Y	98	Very high	92.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.4	-41.8	172.4	-69.3	-84.9	0	0	0	112.6	T334 V348 E349 L355 I362 E363 L364 I388 V393 I397	T334-Y351 HydrophobicContact CG2-CD1 3.53Å; T334-Y351 HydrophobicContact CG2-CE1 3.76Å; T334-Y351 HydrophobicContact CG2-CG 4.16Å; V348-Y351 PolarHBondContact O-N 3.23Å; E349-Y351 VanDerWaalsContact C-N 3.28Å; E349-Y351 PolarHBondContact O-N 3.33Å; Y351-L355 WeakPolarHBondContact O-CB 3.49Å; Y351-L355 VanDerWaalsContact O-CG 3.26Å; Y351-L355 WeakPolarHBondContact O-CG 3.23Å; Y351-L355 PolarHBondContact O-N 2.86Å; Y351-I362 HydrophobicContact CD1-CB 4.45Å; Y351-I362 HydrophobicContact CD1-CD1 3.88Å; Y351-I362 HydrophobicContact CE1-CD1 4.39Å; Y351-E363 WeakPolarHBondContact CE1-O 3.45Å; Y351-E363 PolarHBondContact OH-O 2.88Å; Y351-L364 HydrophobicContact CE1-CD1 4.47Å; Y351-L364 HydrophobicContact CE1-CG 4.1Å; Y351-I388 HydrophobicContact CE2-CD1 4.19Å; Y351-V393 HydrophobicContact CD1-CG1 4.17Å; Y351-V393 HydrophobicContact CD2-CB 4.38Å; Y351-V393 HydrophobicContact CD2-CG1 3.72Å; Y351-V393 HydrophobicContact CD2-CG2 3.88Å; Y351-V393 HydrophobicContact CE1-CG1 3.95Å; Y351-V393 HydrophobicContact CE2-CB 4.18Å; Y351-V393 HydrophobicContact CE2-CG1 3.48Å; Y351-V393 VanDerWaalsContact CE2-CG1 3.48Å; Y351-V393 HydrophobicContact CE2-CG2 3.55Å; Y351-V393 HydrophobicContact CG-CG1 4.04Å; Y351-I397 HydrophobicContact CD1-CD1 4.17Å; Y351-I397 HydrophobicContact CD1-CG1 4.3Å; Y351-I397 HydrophobicContact CG-CG1 4.49Å
352	K	97	Very high	93.3	Very high	18 Å²	18	19.9 Å²	19.9	8%	0.078	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-52.3	176.4	-62.2	-166.4	171.4	-170.5	0	110.6	E349 M350 V354 L355 L356 A396 E399 C400	E349-K352 WeakPolarHBondContact O-CB 3.49Å; E349-K352 PolarHBondContact O-N 2.87Å; M350-K352 VanDerWaalsContact C-N 3.33Å; M350-K352 PolarHBondContact O-N 3.49Å; K352-V354 VanDerWaalsContact C-N 3.34Å; K352-V354 PolarHBondContact O-N 3.26Å; K352-L355 PolarHBondContact O-N 2.95Å; K352-L356 HydrophobicContact CB-CD1 4.5Å; K352-L356 VanDerWaalsContact O-CB 3.26Å; K352-L356 WeakPolarHBondContact O-CB 3.48Å; K352-L356 WeakPolarHBondContact O-CD1 3.45Å; K352-L356 WeakPolarHBondContact O-CG 3.46Å; K352-L356 PolarHBondContact O-N 2.85Å; K352-A396 HydrophobicContact CD-CB 4.35Å; K352-A396 HydrophobicContact CG-CB 3.92Å; K352-E399 IonicContact NZ-OE1 3.69Å; K352-E399 PolarHBondContact NZ-OE1 3.24Å; K352-E399 IonicContact NZ-OE2 3.57Å; K352-E399 PolarHBondContact NZ-OE2 3.19Å; K352-C400 HydrophobicContact CB-CB 4.29Å; K352-C400 HydrophobicContact CG-CB 4.3Å
353	Q	96.1	Very high	94.4	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-40.1	-178.8	-62.2	-61.7	-43.8	0	0	112.4	M112 E349 M350 S357	M112-Q353 HydrophobicContact CB-CB 3.77Å; M112-Q353 HydrophobicContact CB-CG 4.49Å; M112-Q353 HydrophobicContact CG-CB 4.13Å; E349-Q353 HydrophobicContact CG-CG 4.33Å; E349-Q353 WeakPolarHBondContact O-CG 3.35Å; E349-Q353 PolarHBondContact O-N 2.93Å; E349-Q353 PolarHBondContact OE1-NE2 3.38Å; M350-Q353 PolarHBondContact O-N 3.2Å; Q353-S357 PolarHBondContact O-N 2.9Å
354	V	96.9	Very high	95.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.8	-46	176.5	170	0	0	0	0	111.2	M112 T334 M350 K352 S357 C359 I362 F657	M112-V354 HydrophobicContact SD-CG2 4.33Å; T334-V354 HydrophobicContact CG2-CB 4.06Å; T334-V354 HydrophobicContact CG2-CG1 3.95Å; T334-V354 HydrophobicContact CG2-CG2 4.14Å; M350-V354 HydrophobicContact CE-CG2 4.16Å; M350-V354 HydrophobicContact CG-CG2 4.32Å; M350-V354 VanDerWaalsContact O-CB 3.32Å; M350-V354 WeakPolarHBondContact O-CB 3.35Å; M350-V354 VanDerWaalsContact O-CG2 3.23Å; M350-V354 WeakPolarHBondContact O-CG2 3.41Å; M350-V354 PolarHBondContact O-N 2.79Å; K352-V354 VanDerWaalsContact C-N 3.34Å; K352-V354 PolarHBondContact O-N 3.26Å; V354-S357 WeakPolarHBondContact O-CB 3.45Å; V354-S357 PolarHBondContact O-N 3.2Å; V354-S357 PolarHBondContact O-OG 3.12Å; V354-C359 HydrophobicContact CG1-CB 3.42Å; V354-C359 VanDerWaalsContact CG1-CB 3.42Å; V354-C359 WeakPolarHBondContact O-CB 3.4Å; V354-C359 PolarHBondContact O-N 2.94Å; V354-I362 HydrophobicContact CG1-CG2 3.87Å; V354-F657 HydrophobicContact CB-CD1 4.39Å; V354-F657 HydrophobicContact CG1-CD1 4.07Å; V354-F657 HydrophobicContact CG1-CE1 4.18Å; V354-F657 HydrophobicContact CG1-CG 4.41Å; V354-F657 HydrophobicContact CG2-CB 3.86Å; V354-F657 HydrophobicContact CG2-CD1 3.83Å; V354-F657 HydrophobicContact CG2-CG 4Å
355	L	97.8	Very high	96.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.8	-45.7	175.4	-71.5	167.5	0	0	0	111.9	Y351 K352 S357 G358 I362 I397 C400 T404 V409	Y351-L355 WeakPolarHBondContact O-CB 3.49Å; Y351-L355 VanDerWaalsContact O-CG 3.26Å; Y351-L355 WeakPolarHBondContact O-CG 3.23Å; Y351-L355 PolarHBondContact O-N 2.86Å; K352-L355 PolarHBondContact O-N 2.95Å; L355-S357 PolarHBondContact O-N 2.88Å; L355-G358 PolarHBondContact O-N 2.87Å; L355-I362 HydrophobicContact CD1-CD1 4.27Å; L355-I362 HydrophobicContact CD2-CD1 4.18Å; L355-I362 HydrophobicContact CD2-CG2 4.29Å; L355-I362 HydrophobicContact CG-CD1 4.41Å; L355-I397 HydrophobicContact CD1-CB 4.27Å; L355-I397 HydrophobicContact CD1-CG1 4.14Å; L355-I397 HydrophobicContact CD1-CG2 4.17Å; L355-C400 HydrophobicContact CB-CB 4.26Å; L355-C400 HydrophobicContact CD1-CB 4.26Å; L355-T404 PolarHBondContact O-OG1 3.1Å; L355-V409 HydrophobicContact CD2-CG1 4.06Å; L355-V409 HydrophobicContact CD2-CG2 4.23Å
356	L	95.3	Very high	96.6	Very high	10 Å²	10	7.4 Å²	7.4	5%	0.052	4%	0.044	C	C	.	.	H	α-helix	trans	-60.4	-29.2	176.4	-72.4	167.1	0	0	0	112.9	D71 F136 K352 G358 K403 T404	D71-L356 HydrophobicContact CB-CD1 3.76Å; F136-L356 HydrophobicContact CE2-CD2 3.8Å; F136-L356 HydrophobicContact CZ-CD2 3.74Å; K352-L356 HydrophobicContact CB-CD1 4.5Å; K352-L356 VanDerWaalsContact O-CB 3.26Å; K352-L356 WeakPolarHBondContact O-CB 3.48Å; K352-L356 WeakPolarHBondContact O-CD1 3.45Å; K352-L356 WeakPolarHBondContact O-CG 3.46Å; K352-L356 PolarHBondContact O-N 2.85Å; L356-G358 PolarHBondContact O-N 3Å; L356-K403 HydrophobicContact CD2-CB 3.84Å; L356-K403 HydrophobicContact CD2-CD 3.75Å; L356-K403 HydrophobicContact CD2-CG 4.46Å; L356-T404 HydrophobicContact CD2-CG2 4.01Å; L356-T404 WeakPolarHBondContact O-CG2 3.44Å; L356-T404 PolarHBondContact O-OG1 2.81Å
357	S	93.6	Very high	96.6	Very high	18 Å²	18	8.8 Å²	8.8	13%	0.126	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.7	173.5	81.9	0	0	0	0	114.1	M112 Q353 V354 L355 F657 K676	M112-S357 VanDerWaalsContact CE-CB 3.41Å; Q353-S357 PolarHBondContact O-N 2.9Å; V354-S357 WeakPolarHBondContact O-CB 3.45Å; V354-S357 PolarHBondContact O-N 3.2Å; V354-S357 PolarHBondContact O-OG 3.12Å; L355-S357 PolarHBondContact O-N 2.88Å; S357-F657 WeakPolarHBondContact OG-CE1 3.49Å; S357-K676 WeakPolarHBondContact O-CE 3.03Å
358	G	95.8	Very high	96.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	19.4	-169.6	0	0	0	0	0	113	N329 L355 L356 G678	N329-G358 WeakPolarHBondContact CB-O 3.34Å; N329-G358 VanDerWaalsContact ND2-C 3.31Å; N329-G358 PolarHBondContact ND2-O 2.85Å; L355-G358 PolarHBondContact O-N 2.87Å; L356-G358 PolarHBondContact O-N 3Å; G358-G678 WeakPolarHBondContact O-CA 3.36Å
359	C	98.3	Very high	95.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.			trans	-74.5	141.4	171.5	-166.2	0	0	0	0	110.3	N329 V354 C361 F657	N329-C359 WeakPolarHBondContact ND2-CA 3.35Å; N329-C359 PolarHBondContact ND2-N 2.8Å; N329-C359 PolarHBondContact O-SG 2.82Å; V354-C359 HydrophobicContact CG1-CB 3.42Å; V354-C359 VanDerWaalsContact CG1-CB 3.42Å; V354-C359 WeakPolarHBondContact O-CB 3.4Å; V354-C359 PolarHBondContact O-N 2.94Å; C359-C361 PolarHBondContact SG-O 2.97Å; C359-F657 HydrophobicContact CB-CE1 4.08Å; C359-F657 HydrophobicContact CB-CZ 4.04Å
360	R	98.7	Very high	94.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.086	C	C	.	.			trans	-124.5	-13.1	-172.9	-62.5	-69.3	84.4	-178	3.7	113.8	I328 N329 A401 S405 F407 P408 V409 I410 C677 Y679	I328-R360 HydrophobicContact CG2-CB 3.82Å; N329-R360 PolarHBondContact O-N 3.24Å; R360-A401 VanDerWaalsContact CZ-O 3.24Å; R360-A401 PolarHBondContact NH1-O 3.32Å; R360-A401 PolarHBondContact NH2-O 2.84Å; R360-S405 PolarHBondContact NH1-O 3.28Å; R360-F407 PolarHBondContact NH1-O 3.01Å; R360-P408 WeakPolarHBondContact CD-O 3.47Å; R360-V409 CarbonylContact O-C 3.56Å; R360-V409 WeakPolarHBondContact O-CA 3.25Å; R360-I410 PolarHBondContact O-N 3.12Å; R360-C677 WeakPolarHBondContact CD-O 3.32Å; R360-Y679 HydrophobicContact CB-CE2 3.88Å; R360-Y679 HydrophobicContact CG-CD2 3.89Å; R360-Y679 HydrophobicContact CG-CE2 3.51Å
361	C	98.8	Very high	93.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.5	167	-176.3	0	0	0	0	110.1	N329 S330 S331 C359 I410 L652	N329-C361 PolarHBondContact O-N 2.84Å; S330-C361 WeakPolarHBondContact OG-CB 3.41Å; S331-C361 PolarHBondContact N-O 2.82Å; C359-C361 PolarHBondContact SG-O 2.97Å; C361-I410 WeakPolarHBondContact CA-O 3.33Å; C361-I410 HydrophobicContact CB-CB 4.26Å; C361-L652 HydrophobicContact CB-CD2 3.65Å
362	I	98.6	Very high	92	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.2	-177.5	51.9	167.1	0	0	0	111.1	T334 Y351 V354 L355 L364 I397 V409 I410 L411 S412	T334-I362 HydrophobicContact CG2-CB 4.06Å; T334-I362 HydrophobicContact CG2-CG2 3.86Å; Y351-I362 HydrophobicContact CD1-CB 4.45Å; Y351-I362 HydrophobicContact CD1-CD1 3.88Å; Y351-I362 HydrophobicContact CE1-CD1 4.39Å; V354-I362 HydrophobicContact CG1-CG2 3.87Å; L355-I362 HydrophobicContact CD1-CD1 4.27Å; L355-I362 HydrophobicContact CD2-CD1 4.18Å; L355-I362 HydrophobicContact CD2-CG2 4.29Å; L355-I362 HydrophobicContact CG-CD1 4.41Å; I362-L364 HydrophobicContact CG1-CD1 4.47Å; I362-I397 HydrophobicContact CD1-CD1 3.6Å; I362-I397 HydrophobicContact CD1-CG1 3.71Å; I362-I397 HydrophobicContact CD1-CG2 4.32Å; I362-V409 HydrophobicContact CG1-CG1 4.4Å; I362-I410 PolarHBondContact N-O 3.05Å; I362-L411 HydrophobicContact CD1-CD2 3.57Å; I362-L411 HydrophobicContact CG1-CD2 3.62Å; I362-S412 WeakPolarHBondContact O-CB 3.35Å; I362-S412 PolarHBondContact O-N 3.21Å
363	E	98.6	Very high	90.6	Very high	3 Å²	3	36 Å²	36	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.2	-169.3	-173	124.6	-96.2	0	0	112.5	H332 N333 T334 Y351 D365 S412 R627	H332-E363 WeakPolarHBondContact CA-OE2 3.25Å; H332-E363 IonicContact CD2-OE2 2.6Å; H332-E363 PolarHBondContact CD2-OE2 3.49Å; H332-E363 IonicContact CG-OE2 2.68Å; N333-E363 PolarHBondContact N-OE2 3.1Å; T334-E363 PolarHBondContact OG1-N 3.24Å; Y351-E363 WeakPolarHBondContact CE1-O 3.45Å; Y351-E363 PolarHBondContact OH-O 2.88Å; E363-D365 WeakPolarHBondContact CG-OD1 3.44Å; E363-S412 CarbonylContact C-O 3.57Å; E363-S412 WeakPolarHBondContact CA-O 3.49Å; E363-S412 PolarHBondContact OE1-OG 2.72Å; E363-R627 IonicContact OE1-CZ 2.77Å; E363-R627 IonicContact OE1-NH1 3.85Å; E363-R627 PolarHBondContact OE1-NH1 3.45Å; E363-R627 IonicContact OE1-NH2 3.63Å; E363-R627 PolarHBondContact OE1-NH2 2.88Å; E363-R627 IonicContact OE2-CZ 2.67Å; E363-R627 IonicContact OE2-NH1 2.75Å; E363-R627 PolarHBondContact OE2-NH1 3.07Å; E363-R627 IonicContact OE2-NH2 3.81Å; E363-R627 PolarHBondContact OE2-NH2 3.32Å
364	L	98.1	Very high	89.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	94.5	-176.4	-61	88.1	0	0	0	110.4	Y351 I362 C366 I378 F390 V393 I394 I397 L411 S412 E414	Y351-L364 HydrophobicContact CE1-CD1 4.47Å; Y351-L364 HydrophobicContact CE1-CG 4.1Å; I362-L364 HydrophobicContact CG1-CD1 4.47Å; L364-C366 PolarHBondContact O-N 2.94Å; L364-C366 PolarHBondContact O-SG 3.3Å; L364-I378 HydrophobicContact CB-CD1 4.13Å; L364-I378 HydrophobicContact CD2-CD1 4.1Å; L364-I378 HydrophobicContact CG-CD1 4.32Å; L364-F390 HydrophobicContact CD2-CE2 4.17Å; L364-V393 HydrophobicContact CD2-CG1 3.91Å; L364-I394 HydrophobicContact CD2-CD1 4.08Å; L364-I397 HydrophobicContact CD2-CD1 4.02Å; L364-L411 HydrophobicContact CD1-CB 4.03Å; L364-L411 HydrophobicContact CD1-CD2 4.2Å; L364-S412 PolarHBondContact N-O 2.73Å; L364-E414 PolarHBondContact O-N 2.9Å
365	D	96.6	Very high	89.5	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	98.1	176.4	-60.4	22	0	0	0	109	Y335 E363 I378 T379 E414	Y335-D365 HydrophobicContact CE1-CB 3.83Å; Y335-D365 VanDerWaalsContact CE1-CG 3.41Å; Y335-D365 WeakPolarHBondContact CE1-OD1 3.46Å; Y335-D365 VanDerWaalsContact OH-CG 3.27Å; Y335-D365 PolarHBondContact OH-OD2 3.43Å; E363-D365 WeakPolarHBondContact CG-OD1 3.44Å; D365-I378 VanDerWaalsContact O-CA 3.27Å; D365-I378 WeakPolarHBondContact O-CA 3.49Å; D365-T379 WeakPolarHBondContact CB-O 3.47Å; D365-T379 PolarHBondContact O-N 3.19Å; D365-E414 CarbonylContact C-O 3.51Å
366	C	96.2	Very high	89.2	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116	-168.3	-61.8	0	0	0	0	110.9	L364 E414 H416 V417 M426	L364-C366 PolarHBondContact O-N 2.94Å; L364-C366 PolarHBondContact O-SG 3.3Å; C366-E414 PolarHBondContact N-O 2.71Å; C366-H416 CarbonylContact O-C 3.55Å; C366-H416 WeakPolarHBondContact O-CA 3.42Å; C366-H416 WeakPolarHBondContact O-CB 3.48Å; C366-H416 PolarHBondContact O-N 2.91Å; C366-V417 HydrophobicContact CB-CG2 4.13Å; C366-V417 WeakPolarHBondContact O-CG2 3.47Å; C366-V417 PolarHBondContact O-N 2.81Å; C366-M426 HydrophobicContact CB-CE 3.49Å; C366-M426 VanDerWaalsContact CB-CE 3.49Å; C366-M426 HydrophobicContact CB-SD 4.3Å; C366-M426 VanDerWaalsContact SG-CE 3.54Å
367	W	93.5	Very high	89.2	Confident	38 Å²	38	41.5 Å²	41.5	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154.9	-178.3	-66.8	84.2	0	0	0	111.8	V377 T379 F382 H416 T560	W367-V377 HydrophobicContact CB-CG2 4.12Å; W367-V377 PolarHBondContact N-O 3.1Å; W367-V377 PolarHBondContact O-N 2.96Å; W367-T379 HydrophobicContact CB-CG2 4.44Å; W367-T379 HydrophobicContact CG-CG2 4.14Å; W367-T379 PolarHBondContact NE1-O 2.79Å; W367-F382 HydrophobicContact CH2-CD2 4.13Å; W367-F382 AromaticContact CH2-CE2 3.68Å; W367-F382 HydrophobicContact CH2-CE2 3.68Å; W367-F382 HydrophobicContact CH2-CZ 4.35Å; W367-F382 AromaticContact CZ3-CE2 3.88Å; W367-F382 HydrophobicContact CZ3-CE2 3.88Å; W367-F382 HydrophobicContact CZ3-CZ 4.1Å; W367-H416 HydrophobicContact CD2-CB 3.67Å; W367-H416 AromaticContact CE2-CD2 3.4Å; W367-H416 VanDerWaalsContact CE2-CD2 3.4Å; W367-H416 AromaticContact CE2-CG 3.72Å; W367-H416 HydrophobicContact CE3-CB 3.59Å; W367-H416 HydrophobicContact CG-CB 4.33Å; W367-H416 HydrophobicContact CH2-CB 3.82Å; W367-H416 AromaticContact CH2-CD2 3.74Å; W367-H416 AromaticContact CH2-CG 3.48Å; W367-H416 VanDerWaalsContact CH2-CG 3.48Å; W367-H416 AromaticContact CH2-ND1 3.76Å; W367-H416 HydrophobicContact CZ2-CB 3.9Å; W367-H416 AromaticContact CZ2-CD2 3.14Å; W367-H416 WeakPolarHBondContact CZ2-CD2 3.46Å; W367-H416 AromaticContact CZ2-CG 3.39Å; W367-H416 AromaticContact CZ2-ND1 3.97Å; W367-H416 AromaticContact CZ2-NE2 3.57Å; W367-H416 HydrophobicContact CZ3-CB 3.69Å; W367-H416 AromaticContact CZ3-CG 3.89Å; W367-H416 AromaticContact NE1-CD2 3.79Å; W367-T560 HydrophobicContact CH2-CG2 4.36Å; W367-T560 HydrophobicContact CZ2-CG2 3.99Å
368	K	89.9	Confident	89.4	Confident	101 Å²	101	40.6 Å²	40.6	44%	0.439	20%	0.198	S	C	.	.			trans	-68.6	135.4	-178.3	66.5	-167.3	-179.1	180	0	112.4	D418 Q422	K368-D418 WeakPolarHBondContact CD-OD1 3.28Å; K368-D418 IonicContact NZ-OD1 2.68Å; K368-D418 IonicContact NZ-OD2 2.88Å; K368-D418 PolarHBondContact NZ-OD2 3.07Å; K368-Q422 VanDerWaalsContact CA-OE1 3.27Å
369	G	84.5	Confident	89.2	Confident	14 Å²	14	41.1 Å²	41.1	14%	0.144	20%	0.201	C	C	.	.			trans	-62.3	133.1	177.2	0	0	0	0	0	112.8	E375	G369-E375 WeakPolarHBondContact CA-O 3.07Å
370	R	75.4	Confident	88.7	Confident	204 Å²	204	42.5 Å²	42.5	77%	0.77	21%	0.208	S	C	*	.			trans	-86.8	-9	175.2	-47.2	-172.6	-159.1	-137.9	7	113.7	E387	R370-E387 IonicContact CZ-OE1 2.65Å; R370-E387 IonicContact NE-OE1 3.47Å; R370-E387 PolarHBondContact NE-OE1 3.25Å; R370-E387 IonicContact NE-OE2 2.69Å; R370-E387 IonicContact NH2-OE1 3.35Å; R370-E387 PolarHBondContact NH2-OE1 3.48Å
371	T	67.4	Low	87.9	Confident	76 Å²	76	42.8 Å²	42.8	47%	0.466	21%	0.211	S	C	.	.	S	Bend	trans	-85.9	159.9	-174.2	59.7	0	0	0	0	112.4	E373 E374	T371-E373 PolarHBondContact O-N 2.81Å; T371-E373 VanDerWaalsContact O-N 3.08Å; T371-E374 PolarHBondContact O-N 2.94Å
372	T	64.6	Low	87	Confident	146 Å²	146	51.7 Å²	51.7	90%	0.896	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.7	173.3	44.4	0	0	0	0	114.4
373	E	67.1	Low	86.1	Confident	140 Å²	140	53.5 Å²	53.5	65%	0.654	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-5.8	-177.9	-62.8	173.6	167.8	0	0	112.5	T371 E375 K425	T371-E373 PolarHBondContact O-N 2.81Å; T371-E373 VanDerWaalsContact O-N 3.08Å; E373-E375 VanDerWaalsContact C-N 3.32Å; E373-E375 HydrophobicContact CB-CG 4.32Å; E373-E375 PolarHBondContact O-N 2.81Å; E373-K425 PolarHBondContact O-NZ 3.37Å
374	E	80.4	Confident	85.4	Confident	63 Å²	63	61.3 Å²	61.3	29%	0.294	30%	0.3	S	S	.	.			trans	51.5	47.6	-179.2	-65.8	176.3	-134.9	0	0	112.6	T371 K421 Q422 K425	T371-E374 PolarHBondContact O-N 2.94Å; E374-K421 IonicContact OE1-NZ 2.81Å; E374-K421 PolarHBondContact OE1-NZ 3.2Å; E374-K421 WeakPolarHBondContact OE2-CD 3.41Å; E374-K421 WeakPolarHBondContact OE2-CE 3.42Å; E374-K421 IonicContact OE2-NZ 2.87Å; E374-K421 PolarHBondContact OE2-NZ 3.22Å; E374-Q422 HydrophobicContact CB-CG 4.14Å; E374-K425 PolarHBondContact O-NZ 3.19Å
375	E	89.6	Confident	84.8	Confident	48 Å²	48	61.8 Å²	61.8	22%	0.224	30%	0.303	C	S	.	.			trans	-84.9	122.1	173.7	-71.3	-56.9	152.1	0	0	111.3	G369 E373 K425 Y429	G369-E375 WeakPolarHBondContact CA-O 3.07Å; E373-E375 VanDerWaalsContact C-N 3.32Å; E373-E375 HydrophobicContact CB-CG 4.32Å; E373-E375 PolarHBondContact O-N 2.81Å; E375-K425 VanDerWaalsContact CD-CE 3.47Å; E375-K425 WeakPolarHBondContact OE1-CE 3.26Å; E375-K425 IonicContact OE1-NZ 3.93Å; E375-K425 PolarHBondContact OE1-NZ 3.06Å; E375-K425 WeakPolarHBondContact OE2-CE 3.5Å; E375-K425 IonicContact OE2-NZ 3Å; E375-K425 PolarHBondContact OE2-NZ 3.15Å; E375-Y429 PolarHBondContact OE1-OH 3.43Å; E375-Y429 PolarHBondContact OE2-OH 3.28Å; E375-Y429 VanDerWaalsContact OE2-OH 3.08Å
376	P	93.3	Very high	84.5	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.32	C	S	.	.			trans	-64.2	143.9	174.5	25.5	-31.2	0	0	0	111.2	F390 M426	P376-F390 HydrophobicContact CB-CB 4.11Å; P376-F390 HydrophobicContact CB-CG 4.47Å; P376-F390 HydrophobicContact CG-CB 4.02Å; P376-F390 HydrophobicContact CG-CD1 4.15Å; P376-F390 HydrophobicContact CG-CG 4.27Å; P376-F390 WeakPolarHBondContact O-CB 3.46Å; P376-F390 PolarHBondContact O-N 3.21Å; P376-F390 VanDerWaalsContact O-N 3.09Å; P376-M426 HydrophobicContact CB-CG 3.85Å; P376-M426 HydrophobicContact CB-SD 4.2Å; P376-M426 HydrophobicContact CG-CG 3.68Å
377	V	94.9	Very high	84.3	Confident	19 Å²	19	68.1 Å²	68.1	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	160.3	-175.5	-63.3	0	0	0	0	111.6	W367 E387 I388	W367-V377 HydrophobicContact CB-CG2 4.12Å; W367-V377 PolarHBondContact N-O 3.1Å; W367-V377 PolarHBondContact O-N 2.96Å; V377-E387 HydrophobicContact CB-CB 4.35Å; V377-E387 HydrophobicContact CG2-CG 4.31Å; V377-I388 CarbonylContact C-O 3.51Å; V377-I388 WeakPolarHBondContact CA-O 3.29Å
378	I	96.3	Very high	84.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.1	171	-66.6	164.5	0	0	0	109.7	Y335 L364 D365 I388 F390 V393	Y335-I378 HydrophobicContact CD1-CG2 3.58Å; Y335-I378 HydrophobicContact CD2-CG2 4.22Å; Y335-I378 HydrophobicContact CE1-CG2 4.19Å; Y335-I378 HydrophobicContact CG-CG2 3.62Å; L364-I378 HydrophobicContact CB-CD1 4.13Å; L364-I378 HydrophobicContact CD2-CD1 4.1Å; L364-I378 HydrophobicContact CG-CD1 4.32Å; D365-I378 VanDerWaalsContact O-CA 3.27Å; D365-I378 WeakPolarHBondContact O-CA 3.49Å; I378-I388 HydrophobicContact CB-CD1 4.49Å; I378-I388 HydrophobicContact CB-CG1 3.96Å; I378-I388 HydrophobicContact CG2-CG1 4.39Å; I378-I388 PolarHBondContact N-O 2.88Å; I378-I388 PolarHBondContact O-N 3.5Å; I378-F390 HydrophobicContact CD1-CD2 3.89Å; I378-F390 HydrophobicContact CG1-CD2 4.19Å; I378-V393 HydrophobicContact CD1-CB 3.91Å; I378-V393 HydrophobicContact CD1-CG1 3.81Å; I378-V393 HydrophobicContact CD1-CG2 3.92Å
379	T	92.7	Very high	84.6	Confident	10 Å²	10	64 Å²	64	6%	0.061	32%	0.324	C	S	.	.			trans	-168.5	165.2	178.4	-165.7	0	0	0	0	110	D365 W367 T385 T386 E387	D365-T379 WeakPolarHBondContact CB-O 3.47Å; D365-T379 PolarHBondContact O-N 3.19Å; W367-T379 HydrophobicContact CB-CG2 4.44Å; W367-T379 HydrophobicContact CG-CG2 4.14Å; W367-T379 PolarHBondContact NE1-O 2.79Å; T379-T385 PolarHBondContact OG1-O 3.08Å; T379-T385 PolarHBondContact OG1-OG1 3.01Å; T379-T386 PolarHBondContact OG1-O 3.1Å; T379-E387 HydrophobicContact CG2-CG 3.97Å
380	H	87.4	Confident	85.2	Confident	29 Å²	29	63.3 Å²	63.3	13%	0.134	32%	0.317	C	S	.	.			trans	-85.8	120.1	173.5	-171.6	-146	0	0	0	110.3	Y335 Q341 T383 T385	Y335-H380 HydrophobicContact CE2-CB 4.08Å; Y335-H380 WeakPolarHBondContact OH-CA 3.25Å; Y335-H380 VanDerWaalsContact OH-CB 3.3Å; Y335-H380 WeakPolarHBondContact OH-CB 3.37Å; Q341-H380 PolarHBondContact O-ND1 3.03Å; H380-T383 HydrophobicContact CB-CG2 4.36Å; H380-T383 WeakPolarHBondContact ND1-CG2 3.21Å; H380-T383 PolarHBondContact O-N 3.46Å; H380-T383 PolarHBondContact O-OG1 3.39Å; H380-T385 HydrophobicContact CB-CG2 4Å; H380-T385 PolarHBondContact N-OG1 3.02Å; H380-T385 PolarHBondContact O-OG1 3.27Å
381	G	82.6	Confident	86.2	Confident	7 Å²	7	57 Å²	57	7%	0.072	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	136.8	-166.5	0	0	0	0	0	115.6	T383	G381-T383 WeakPolarHBondContact O-CG2 3.26Å; G381-T383 PolarHBondContact O-N 2.96Å
382	F	78.4	Confident	87.6	Confident	188 Å²	188	58.4 Å²	58.4	83%	0.825	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	14.9	177.5	-51.5	-77.6	0	0	0	115.8	W367	W367-F382 HydrophobicContact CH2-CD2 4.13Å; W367-F382 AromaticContact CH2-CE2 3.68Å; W367-F382 HydrophobicContact CH2-CE2 3.68Å; W367-F382 HydrophobicContact CH2-CZ 4.35Å; W367-F382 AromaticContact CZ3-CE2 3.88Å; W367-F382 HydrophobicContact CZ3-CE2 3.88Å; W367-F382 HydrophobicContact CZ3-CZ 4.1Å
383	T	81.8	Confident	89.2	Confident	38 Å²	38	51.4 Å²	51.4	23%	0.233	25%	0.254	C	S	.	.	S	Bend	trans	-102.1	-172.1	176.9	77.9	0	0	0	0	112.8	L342 H380 G381 T385	L342-T383 HydrophobicContact CD2-CG2 4.05Å; L342-T383 WeakPolarHBondContact O-CB 3.46Å; H380-T383 HydrophobicContact CB-CG2 4.36Å; H380-T383 WeakPolarHBondContact ND1-CG2 3.21Å; H380-T383 PolarHBondContact O-N 3.46Å; H380-T383 PolarHBondContact O-OG1 3.39Å; G381-T383 WeakPolarHBondContact O-CG2 3.26Å; G381-T383 PolarHBondContact O-N 2.96Å; T383-T385 WeakPolarHBondContact OG1-CG2 3.19Å; T383-T385 PolarHBondContact OG1-N 3.17Å; T383-T385 PolarHBondContact OG1-OG1 2.99Å
384	M	82.3	Confident	90.7	Very high	166 Å²	166	44.8 Å²	44.8	82%	0.818	22%	0.223	S	C	*	.	S	Bend	trans	-97.1	15.4	174.2	-58.9	-69.9	174.7	0	0	112.7	L342 A343	L342-M384 WeakPolarHBondContact O-CB 3.45Å; L342-M384 PolarHBondContact O-N 3Å; A343-M384 HydrophobicContact CB-CB 4.22Å
385	T	86	Confident	91.4	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.067	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-69	146.5	177	56.9	0	0	0	0	112	L336 Q341 G344 T379 H380 T383	L336-T385 HydrophobicContact CD2-CG2 3.76Å; Q341-T385 WeakPolarHBondContact O-CG2 3.39Å; G344-T385 VanDerWaalsContact O-CA 3.28Å; G344-T385 WeakPolarHBondContact O-CA 3.26Å; G344-T385 VanDerWaalsContact O-CB 3.32Å; G344-T385 WeakPolarHBondContact O-CB 3.28Å; G344-T385 WeakPolarHBondContact O-CG2 3.31Å; T379-T385 PolarHBondContact OG1-O 3.08Å; T379-T385 PolarHBondContact OG1-OG1 3.01Å; H380-T385 HydrophobicContact CB-CG2 4Å; H380-T385 PolarHBondContact N-OG1 3.02Å; H380-T385 PolarHBondContact O-OG1 3.27Å; T383-T385 WeakPolarHBondContact OG1-CG2 3.19Å; T383-T385 PolarHBondContact OG1-N 3.17Å; T383-T385 PolarHBondContact OG1-OG1 2.99Å
386	T	89.6	Confident	91.8	Very high	59 Å²	59	43.6 Å²	43.6	36%	0.362	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-68.4	148.2	178.5	60.1	0	0	0	0	111.7	S346 T379	S346-T386 WeakPolarHBondContact CB-O 3.35Å; S346-T386 PolarHBondContact N-OG1 3.19Å; S346-T386 PolarHBondContact O-OG1 3.21Å; S346-T386 PolarHBondContact OG-O 2.8Å; T379-T386 PolarHBondContact OG1-O 3.1Å
387	E	92.1	Very high	92	Very high	74 Å²	74	43.6 Å²	43.6	35%	0.346	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-86.5	142.7	173	-68.3	173.6	179.6	0	0	110.6	R370 V377 T379	R370-E387 IonicContact CZ-OE1 2.65Å; R370-E387 IonicContact NE-OE1 3.47Å; R370-E387 PolarHBondContact NE-OE1 3.25Å; R370-E387 IonicContact NE-OE2 2.69Å; R370-E387 IonicContact NH2-OE1 3.35Å; R370-E387 PolarHBondContact NH2-OE1 3.48Å; V377-E387 HydrophobicContact CB-CB 4.35Å; V377-E387 HydrophobicContact CG2-CG 4.31Å; T379-E387 HydrophobicContact CG2-CG 3.97Å
388	I	95.3	Very high	92.1	Very high	20 Å²	20	44.7 Å²	44.7	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	154.2	170.3	59.2	177.4	0	0	0	110.7	S346 V348 Y351 V377 I378 F390 V393	S346-I388 WeakPolarHBondContact O-CG2 3.42Å; V348-I388 HydrophobicContact CG2-CB 4.17Å; V348-I388 HydrophobicContact CG2-CD1 4.21Å; Y351-I388 HydrophobicContact CE2-CD1 4.19Å; V377-I388 CarbonylContact C-O 3.51Å; V377-I388 WeakPolarHBondContact CA-O 3.29Å; I378-I388 HydrophobicContact CB-CD1 4.49Å; I378-I388 HydrophobicContact CB-CG1 3.96Å; I378-I388 HydrophobicContact CG2-CG1 4.39Å; I378-I388 PolarHBondContact N-O 2.88Å; I378-I388 PolarHBondContact O-N 3.5Å; I388-F390 PolarHBondContact O-N 3.06Å; I388-V393 HydrophobicContact CD1-CG2 3.6Å; I388-V393 HydrophobicContact CG1-CG2 4.17Å
389	S	95.9	Very high	92	Very high	31 Å²	31	46.9 Å²	46.9	22%	0.217	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.4	-179.9	175.6	0	0	0	0	111.5	K391 E392 V393	S389-K391 VanDerWaalsContact C-N 3.25Å; S389-K391 PolarHBondContact O-N 3.04Å; S389-K391 PolarHBondContact OG-N 3.22Å; S389-E392 WeakPolarHBondContact CB-OE2 3.38Å; S389-E392 PolarHBondContact O-N 3Å; S389-E392 PolarHBondContact OG-N 3.4Å; S389-V393 PolarHBondContact O-N 2.82Å
390	F	96.8	Very high	92.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-40.4	172.5	175.5	-93.2	0	0	0	111.3	L364 P376 I378 I388 E392 V393 I394 F413 M426 Y429	L364-F390 HydrophobicContact CD2-CE2 4.17Å; P376-F390 HydrophobicContact CB-CB 4.11Å; P376-F390 HydrophobicContact CB-CG 4.47Å; P376-F390 HydrophobicContact CG-CB 4.02Å; P376-F390 HydrophobicContact CG-CD1 4.15Å; P376-F390 HydrophobicContact CG-CG 4.27Å; P376-F390 WeakPolarHBondContact O-CB 3.46Å; P376-F390 PolarHBondContact O-N 3.21Å; P376-F390 VanDerWaalsContact O-N 3.09Å; I378-F390 HydrophobicContact CD1-CD2 3.89Å; I378-F390 HydrophobicContact CG1-CD2 4.19Å; I388-F390 PolarHBondContact O-N 3.06Å; F390-E392 PolarHBondContact O-N 3.46Å; F390-V393 PolarHBondContact O-N 3.29Å; F390-I394 HydrophobicContact CD1-CG1 4.02Å; F390-I394 HydrophobicContact CE1-CD1 4.15Å; F390-I394 HydrophobicContact CE1-CG1 3.51Å; F390-I394 HydrophobicContact CE2-CD1 4.12Å; F390-I394 HydrophobicContact CE2-CG1 4.13Å; F390-I394 HydrophobicContact CZ-CD1 3.67Å; F390-I394 HydrophobicContact CZ-CG1 3.57Å; F390-I394 WeakPolarHBondContact O-CG1 3.4Å; F390-I394 PolarHBondContact O-N 2.67Å; F390-F413 HydrophobicContact CE2-CD1 4.45Å; F390-F413 AromaticContact CE2-CE1 3.55Å; F390-F413 HydrophobicContact CE2-CE1 3.55Å; F390-F413 HydrophobicContact CE2-CZ 4.15Å; F390-F413 AromaticContact CZ-CE1 3.69Å; F390-F413 HydrophobicContact CZ-CE1 3.69Å; F390-F413 HydrophobicContact CZ-CZ 4.04Å; F390-M426 HydrophobicContact CD1-CB 4.45Å; F390-M426 HydrophobicContact CD1-CG 4.06Å; F390-M426 HydrophobicContact CD2-CE 4.39Å; F390-M426 HydrophobicContact CE1-CB 3.81Å; F390-M426 HydrophobicContact CE1-CG 3.88Å; F390-M426 HydrophobicContact CE2-CE 3.91Å; F390-M426 HydrophobicContact CE2-CG 4.49Å; F390-M426 HydrophobicContact CG-CG 4.43Å; F390-M426 HydrophobicContact CZ-CB 3.99Å; F390-M426 HydrophobicContact CZ-CE 4.13Å; F390-M426 HydrophobicContact CZ-CG 4.12Å; F390-Y429 HydrophobicContact CD1-CD2 4.04Å; F390-Y429 HydrophobicContact CE1-CD2 4.36Å
391	K	96.3	Very high	92.6	Very high	73 Å²	73	45 Å²	45	32%	0.317	23%	0.23	S	C	.	.	H	α-helix	trans	-61.5	-46	-179.8	-174.5	-178.2	-178.6	-83.3	0	112	S389 V393 I394 E395 Y429 I433	S389-K391 VanDerWaalsContact C-N 3.25Å; S389-K391 PolarHBondContact O-N 3.04Å; S389-K391 PolarHBondContact OG-N 3.22Å; K391-V393 VanDerWaalsContact C-N 3.3Å; K391-V393 PolarHBondContact O-N 3.21Å; K391-I394 PolarHBondContact O-N 3Å; K391-E395 WeakPolarHBondContact CE-OE1 3.43Å; K391-E395 IonicContact NZ-OE1 2.85Å; K391-E395 PolarHBondContact NZ-OE1 3.09Å; K391-E395 WeakPolarHBondContact O-CG 3.41Å; K391-E395 PolarHBondContact O-N 3.24Å; K391-Y429 HydrophobicContact CB-CD2 4.15Å; K391-Y429 HydrophobicContact CB-CE2 3.99Å; K391-Y429 HydrophobicContact CD-CD1 4.25Å; K391-Y429 HydrophobicContact CD-CE1 3.69Å; K391-Y429 HydrophobicContact CD-CE2 4.31Å; K391-Y429 HydrophobicContact CG-CD1 4.15Å; K391-Y429 HydrophobicContact CG-CD2 4.41Å; K391-Y429 HydrophobicContact CG-CE1 4.07Å; K391-Y429 HydrophobicContact CG-CE2 4.3Å; K391-Y429 HydrophobicContact CG-CG 4.35Å; K391-I433 HydrophobicContact CG-CD1 4.13Å
392	E	96.1	Very high	93.3	Very high	104 Å²	104	47.6 Å²	47.6	49%	0.486	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-35.6	178.4	-65.4	177.2	157.4	0	0	111.9	V348 S389 F390 A396	V348-E392 HydrophobicContact CG1-CB 4.2Å; V348-E392 WeakPolarHBondContact CG1-O 3.33Å; V348-E392 HydrophobicContact CG2-CB 3.85Å; S389-E392 WeakPolarHBondContact CB-OE2 3.38Å; S389-E392 PolarHBondContact O-N 3Å; S389-E392 PolarHBondContact OG-N 3.4Å; F390-E392 PolarHBondContact O-N 3.46Å; E392-A396 VanDerWaalsContact O-CB 3.27Å; E392-A396 WeakPolarHBondContact O-CB 3.47Å; E392-A396 PolarHBondContact O-N 3.12Å
393	V	98.1	Very high	94.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-45.3	172.8	168.8	0	0	0	0	111.5	V348 Y351 L364 I378 I388 S389 F390 K391 A396 I397	V348-V393 HydrophobicContact CG2-CG2 4.03Å; Y351-V393 HydrophobicContact CD1-CG1 4.17Å; Y351-V393 HydrophobicContact CD2-CB 4.38Å; Y351-V393 HydrophobicContact CD2-CG1 3.72Å; Y351-V393 HydrophobicContact CD2-CG2 3.88Å; Y351-V393 HydrophobicContact CE1-CG1 3.95Å; Y351-V393 HydrophobicContact CE2-CB 4.18Å; Y351-V393 HydrophobicContact CE2-CG1 3.48Å; Y351-V393 VanDerWaalsContact CE2-CG1 3.48Å; Y351-V393 HydrophobicContact CE2-CG2 3.55Å; Y351-V393 HydrophobicContact CG-CG1 4.04Å; L364-V393 HydrophobicContact CD2-CG1 3.91Å; I378-V393 HydrophobicContact CD1-CB 3.91Å; I378-V393 HydrophobicContact CD1-CG1 3.81Å; I378-V393 HydrophobicContact CD1-CG2 3.92Å; I388-V393 HydrophobicContact CD1-CG2 3.6Å; I388-V393 HydrophobicContact CG1-CG2 4.17Å; S389-V393 PolarHBondContact O-N 2.82Å; F390-V393 PolarHBondContact O-N 3.29Å; K391-V393 VanDerWaalsContact C-N 3.3Å; K391-V393 PolarHBondContact O-N 3.21Å; V393-A396 PolarHBondContact O-N 2.89Å; V393-I397 HydrophobicContact CG1-CD1 3.65Å; V393-I397 HydrophobicContact CG1-CG1 4.37Å; V393-I397 WeakPolarHBondContact O-CB 3.47Å; V393-I397 WeakPolarHBondContact O-CD1 3.26Å; V393-I397 WeakPolarHBondContact O-CG1 3.47Å; V393-I397 PolarHBondContact O-N 3.29Å
394	I	98.2	Very high	94.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-41.2	177.2	-64.9	-62	0	0	0	111.4	L364 F390 K391 I397 A398 I433 F434	L364-I394 HydrophobicContact CD2-CD1 4.08Å; F390-I394 HydrophobicContact CD1-CG1 4.02Å; F390-I394 HydrophobicContact CE1-CD1 4.15Å; F390-I394 HydrophobicContact CE1-CG1 3.51Å; F390-I394 HydrophobicContact CE2-CD1 4.12Å; F390-I394 HydrophobicContact CE2-CG1 4.13Å; F390-I394 HydrophobicContact CZ-CD1 3.67Å; F390-I394 HydrophobicContact CZ-CG1 3.57Å; F390-I394 WeakPolarHBondContact O-CG1 3.4Å; F390-I394 PolarHBondContact O-N 2.67Å; K391-I394 PolarHBondContact O-N 3Å; I394-I397 HydrophobicContact CD1-CD1 4.49Å; I394-I397 PolarHBondContact O-N 2.85Å; I394-A398 WeakPolarHBondContact O-CB 3.17Å; I394-A398 PolarHBondContact O-N 3.48Å; I394-I433 HydrophobicContact CB-CD1 4.2Å; I394-I433 HydrophobicContact CG2-CB 3.77Å; I394-I433 HydrophobicContact CG2-CD1 3.68Å; I394-I433 HydrophobicContact CG2-CG1 4.33Å; I394-I433 HydrophobicContact CG2-CG2 3.87Å; I394-F434 HydrophobicContact CB-CZ 4.4Å; I394-F434 HydrophobicContact CD1-CE2 3.94Å; I394-F434 HydrophobicContact CD1-CZ 3.7Å; I394-F434 HydrophobicContact CG2-CD1 4.41Å; I394-F434 HydrophobicContact CG2-CD2 4.49Å; I394-F434 HydrophobicContact CG2-CE1 3.89Å; I394-F434 HydrophobicContact CG2-CE2 3.99Å; I394-F434 HydrophobicContact CG2-CZ 3.68Å; I394-F434 WeakPolarHBondContact O-CE1 3.5Å
395	E	96.9	Very high	95.3	Very high	82 Å²	82	33.8 Å²	33.8	38%	0.383	17%	0.174	S	C	.	.	H	α-helix	trans	-62.1	-42.8	173.2	-70.1	176.9	-179.6	0	0	112.1	K391 A398 E399 I433	K391-E395 WeakPolarHBondContact CE-OE1 3.43Å; K391-E395 IonicContact NZ-OE1 2.85Å; K391-E395 PolarHBondContact NZ-OE1 3.09Å; K391-E395 WeakPolarHBondContact O-CG 3.41Å; K391-E395 PolarHBondContact O-N 3.24Å; E395-A398 PolarHBondContact O-N 3.25Å; E395-E399 PolarHBondContact O-N 2.9Å; E395-E399 VanDerWaalsContact O-N 3.1Å; E395-I433 HydrophobicContact CB-CG2 4.49Å; E395-I433 HydrophobicContact CG-CD1 3.95Å; E395-I433 HydrophobicContact CG-CG1 4.37Å; E395-I433 HydrophobicContact CG-CG2 3.93Å
396	A	96.7	Very high	95.8	Very high	5 Å²	5	36.7 Å²	36.7	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-67.8	-35.4	177.5	0	0	0	0	0	113.5	V348 K352 E392 V393 C400	V348-A396 HydrophobicContact CG1-CB 3.48Å; V348-A396 VanDerWaalsContact CG1-CB 3.48Å; K352-A396 HydrophobicContact CD-CB 4.35Å; K352-A396 HydrophobicContact CG-CB 3.92Å; E392-A396 VanDerWaalsContact O-CB 3.27Å; E392-A396 WeakPolarHBondContact O-CB 3.47Å; E392-A396 PolarHBondContact O-N 3.12Å; V393-A396 PolarHBondContact O-N 2.89Å; A396-C400 PolarHBondContact O-N 2.8Å
397	I	98.3	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-45.8	172.5	-68.9	163.5	0	0	0	109.8	Y351 L355 I362 L364 V393 I394 E399 C400 A401 L411 F434	Y351-I397 HydrophobicContact CD1-CD1 4.17Å; Y351-I397 HydrophobicContact CD1-CG1 4.3Å; Y351-I397 HydrophobicContact CG-CG1 4.49Å; L355-I397 HydrophobicContact CD1-CB 4.27Å; L355-I397 HydrophobicContact CD1-CG1 4.14Å; L355-I397 HydrophobicContact CD1-CG2 4.17Å; I362-I397 HydrophobicContact CD1-CD1 3.6Å; I362-I397 HydrophobicContact CD1-CG1 3.71Å; I362-I397 HydrophobicContact CD1-CG2 4.32Å; L364-I397 HydrophobicContact CD2-CD1 4.02Å; V393-I397 HydrophobicContact CG1-CD1 3.65Å; V393-I397 HydrophobicContact CG1-CG1 4.37Å; V393-I397 WeakPolarHBondContact O-CB 3.47Å; V393-I397 WeakPolarHBondContact O-CD1 3.26Å; V393-I397 WeakPolarHBondContact O-CG1 3.47Å; V393-I397 PolarHBondContact O-N 3.29Å; I394-I397 HydrophobicContact CD1-CD1 4.49Å; I394-I397 PolarHBondContact O-N 2.85Å; I397-E399 VanDerWaalsContact C-N 3.29Å; I397-E399 PolarHBondContact O-N 3.48Å; I397-C400 PolarHBondContact O-N 2.85Å; I397-A401 HydrophobicContact CG2-CB 4.49Å; I397-A401 WeakPolarHBondContact O-CB 3.47Å; I397-A401 PolarHBondContact O-N 2.81Å; I397-L411 HydrophobicContact CD1-CD2 4.23Å; I397-L411 HydrophobicContact CG2-CD2 4.24Å; I397-F434 HydrophobicContact CB-CE1 4.05Å; I397-F434 HydrophobicContact CB-CZ 4.26Å; I397-F434 HydrophobicContact CG2-CE1 3.69Å; I397-F434 HydrophobicContact CG2-CZ 3.85Å
398	A	97	Very high	96.6	Very high	41 Å²	41	30.9 Å²	30.9	34%	0.339	16%	0.162	S	C	.	.	H	α-helix	trans	-59.4	-38.7	179	0	0	0	0	0	112.6	I394 E395 I433 F434	I394-A398 WeakPolarHBondContact O-CB 3.17Å; I394-A398 PolarHBondContact O-N 3.48Å; E395-A398 PolarHBondContact O-N 3.25Å; A398-I433 HydrophobicContact CB-CG2 3.89Å; A398-F434 HydrophobicContact CB-CD1 3.84Å; A398-F434 HydrophobicContact CB-CE1 4.05Å
399	E	93.9	Very high	96.7	Very high	47 Å²	47	29.9 Å²	29.9	22%	0.22	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-38.9	176	-172.6	-167.4	120.1	0	0	113.3	R73 C77 K352 E395 I397 K403	R73-E399 IonicContact NE-OE1 2.67Å; C77-E399 HydrophobicContact CB-CG 4.47Å; C77-E399 WeakPolarHBondContact CB-OE2 3.4Å; C77-E399 VanDerWaalsContact SG-CD 3.53Å; C77-E399 PolarHBondContact SG-OE2 2.83Å; C77-E399 VanDerWaalsContact SG-OE2 3.37Å; K352-E399 IonicContact NZ-OE1 3.69Å; K352-E399 PolarHBondContact NZ-OE1 3.24Å; K352-E399 IonicContact NZ-OE2 3.57Å; K352-E399 PolarHBondContact NZ-OE2 3.19Å; E395-E399 PolarHBondContact O-N 2.9Å; E395-E399 VanDerWaalsContact O-N 3.1Å; I397-E399 VanDerWaalsContact C-N 3.29Å; I397-E399 PolarHBondContact O-N 3.48Å; E399-K403 WeakPolarHBondContact O-CE 3.39Å; E399-K403 IonicContact OE1-NZ 3.13Å; E399-K403 PolarHBondContact OE1-NZ 3.01Å; E399-K403 VanDerWaalsContact OE1-NZ 3.12Å
400	C	95.8	Very high	96.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-109.7	-13.6	-166.4	-71.5	0	0	0	0	115.5	K352 L355 A396 I397 F402 K403	K352-C400 HydrophobicContact CB-CB 4.29Å; K352-C400 HydrophobicContact CG-CB 4.3Å; L355-C400 HydrophobicContact CB-CB 4.26Å; L355-C400 HydrophobicContact CD1-CB 4.26Å; A396-C400 PolarHBondContact O-N 2.8Å; I397-C400 PolarHBondContact O-N 2.85Å; C400-F402 VanDerWaalsContact C-N 3.27Å; C400-F402 PolarHBondContact O-N 3.18Å; C400-F402 VanDerWaalsContact O-N 3.16Å; C400-K403 PolarHBondContact O-N 3.32Å
401	A	96.6	Very high	97	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-44	-174.8	0	0	0	0	0	113.2	R360 I397 V409 I464	R360-A401 VanDerWaalsContact CZ-O 3.24Å; R360-A401 PolarHBondContact NH1-O 3.32Å; R360-A401 PolarHBondContact NH2-O 2.84Å; I397-A401 HydrophobicContact CG2-CB 4.49Å; I397-A401 WeakPolarHBondContact O-CB 3.47Å; I397-A401 PolarHBondContact O-N 2.81Å; A401-V409 HydrophobicContact CB-CG2 4.14Å; A401-I464 HydrophobicContact CB-CD1 4.45Å
402	F	97.2	Very high	97.1	Very high	61 Å²	61	25.1 Å²	25.1	27%	0.268	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	8.5	-172.3	-52.8	-65.1	0	0	0	115	C400 T404 S405 V409 A437 G462 I464	C400-F402 VanDerWaalsContact C-N 3.27Å; C400-F402 PolarHBondContact O-N 3.18Å; C400-F402 VanDerWaalsContact O-N 3.16Å; F402-T404 PolarHBondContact O-N 2.77Å; F402-S405 WeakPolarHBondContact CA-O 3.49Å; F402-V409 HydrophobicContact CE1-CG2 4.16Å; F402-A437 HydrophobicContact CE2-CB 4.23Å; F402-G462 WeakPolarHBondContact CE2-O 3.33Å; F402-G462 WeakPolarHBondContact CZ-O 3.5Å; F402-I464 HydrophobicContact CE2-CD1 4.23Å; F402-I464 HydrophobicContact CE2-CG1 4.02Å; F402-I464 HydrophobicContact CZ-CD1 4.43Å; F402-I464 HydrophobicContact CZ-CG1 3.75Å
403	K	94.6	Very high	97.1	Very high	65 Å²	65	20.1 Å²	20.1	28%	0.283	11%	0.109	S	C	.	.	S	Bend	trans	-61.9	-41.3	-179.5	-82.8	-175.6	-180	176	0	113.6	D71 F136 L356 E399 C400	D71-K403 IonicContact OD1-NZ 2.72Å; D71-K403 PolarHBondContact OD1-NZ 2.76Å; D71-K403 IonicContact OD2-NZ 2.73Å; D71-K403 PolarHBondContact OD2-NZ 2.76Å; F136-K403 HydrophobicContact CE1-CB 4.16Å; F136-K403 HydrophobicContact CZ-CB 3.95Å; F136-K403 HydrophobicContact CZ-CD 4.43Å; L356-K403 HydrophobicContact CD2-CB 3.84Å; L356-K403 HydrophobicContact CD2-CD 3.75Å; L356-K403 HydrophobicContact CD2-CG 4.46Å; E399-K403 WeakPolarHBondContact O-CE 3.39Å; E399-K403 IonicContact OE1-NZ 3.13Å; E399-K403 PolarHBondContact OE1-NZ 3.01Å; E399-K403 VanDerWaalsContact OE1-NZ 3.12Å; C400-K403 PolarHBondContact O-N 3.32Å
404	T	94.1	Very high	96.9	Very high	36 Å²	36	20.7 Å²	20.7	22%	0.221	11%	0.112	C	C	.	.	S	Bend	trans	-113.2	-8.5	-176.5	53	0	0	0	0	114.6	F136 L355 L356 F402	F136-T404 HydrophobicContact CE1-CG2 4.36Å; F136-T404 HydrophobicContact CZ-CG2 3.64Å; L355-T404 PolarHBondContact O-OG1 3.1Å; L356-T404 HydrophobicContact CD2-CG2 4.01Å; L356-T404 WeakPolarHBondContact O-CG2 3.44Å; L356-T404 PolarHBondContact O-OG1 2.81Å; F402-T404 PolarHBondContact O-N 2.77Å
405	S	96.4	Very high	96.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	11%	0.112	C	C	.	.			trans	-155.7	126.3	176.9	177.2	0	0	0	0	109.7	R360 F402 F407 C677	R360-S405 PolarHBondContact NH1-O 3.28Å; F402-S405 WeakPolarHBondContact CA-O 3.49Å; S405-F407 PolarHBondContact O-N 2.93Å; S405-F407 PolarHBondContact OG-N 3.25Å; S405-C677 WeakPolarHBondContact CB-O 3.41Å; S405-C677 WeakPolarHBondContact OG-CA 3.25Å; S405-C677 PolarHBondContact OG-O 3.27Å
406	P	96.9	Very high	96.5	Very high	71 Å²	71	17.6 Å²	17.6	46%	0.461	10%	0.097	S	C	.	.			trans	-79.2	-6.3	177.9	34.9	-37.5	0	0	0	112.9	L461 G462	P406-L461 HydrophobicContact CB-CD2 4.02Å; P406-L461 HydrophobicContact CG-CD2 4.04Å; P406-L461 WeakPolarHBondContact O-CA 3.39Å; P406-G462 PolarHBondContact O-N 2.87Å
407	F	98.5	Very high	96.2	Very high	11 Å²	11	17.4 Å²	17.4	5%	0.048	10%	0.095	C	C	.	.	S	Bend	trans	-76	152.3	-177.6	-67.4	-79.9	0	0	0	112	Q315 M319 R360 S405 P457 L461 C677 Y679	Q315-F407 HydrophobicContact CG-CE2 4.3Å; M319-F407 HydrophobicContact CB-CE1 3.79Å; M319-F407 HydrophobicContact CB-CZ 4.18Å; M319-F407 HydrophobicContact CE-CD1 3.54Å; M319-F407 HydrophobicContact CE-CD2 4.29Å; M319-F407 HydrophobicContact CE-CE1 3.42Å; M319-F407 VanDerWaalsContact CE-CE1 3.42Å; M319-F407 HydrophobicContact CE-CE2 4.18Å; M319-F407 HydrophobicContact CE-CG 3.97Å; M319-F407 HydrophobicContact CE-CZ 3.76Å; M319-F407 HydrophobicContact CG-CE1 3.79Å; M319-F407 HydrophobicContact CG-CZ 3.73Å; M319-F407 HydrophobicContact SD-CE1 4.48Å; R360-F407 PolarHBondContact NH1-O 3.01Å; S405-F407 PolarHBondContact O-N 2.93Å; S405-F407 PolarHBondContact OG-N 3.25Å; F407-P457 HydrophobicContact CD1-CB 3.79Å; F407-P457 HydrophobicContact CE1-CB 4.36Å; F407-L461 HydrophobicContact CD1-CD2 3.68Å; F407-L461 HydrophobicContact CE1-CD2 3.73Å; F407-L461 HydrophobicContact CG-CD2 4.13Å; F407-L461 HydrophobicContact CZ-CD2 4.23Å; F407-C677 HydrophobicContact CD2-CB 3.69Å; F407-C677 HydrophobicContact CE2-CB 4Å; F407-Y679 HydrophobicContact CB-CD2 3.65Å; F407-Y679 HydrophobicContact CB-CE2 3.64Å; F407-Y679 HydrophobicContact CG-CD2 4.32Å
408	P	98.6	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.			trans	-55.5	155.4	-166.5	17.8	-33.1	0	0	0	115.3	R360 P457 L460 K463 L465 Y679	R360-P408 WeakPolarHBondContact CD-O 3.47Å; P408-P457 WeakPolarHBondContact CD-O 3.24Å; P408-L460 HydrophobicContact CB-CB 3.96Å; P408-L460 WeakPolarHBondContact CB-O 3.42Å; P408-L460 WeakPolarHBondContact CD-O 3.26Å; P408-L460 HydrophobicContact CG-CB 3.71Å; P408-K463 CarbonylContact C-O 3.53Å; P408-K463 WeakPolarHBondContact CA-O 3.35Å; P408-K463 WeakPolarHBondContact CB-O 3.36Å; P408-L465 HydrophobicContact CB-CD1 3.63Å; P408-Y679 HydrophobicContact CG-CE2 4.43Å; P408-Y679 PolarHBondContact O-OH 3.3Å; P408-Y679 VanDerWaalsContact O-OH 3.07Å
409	V	98.8	Very high	95.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.2	175.6	174.9	0	0	0	0	110.3	L355 R360 I362 A401 F402 L411 K463 I464 L465	L355-V409 HydrophobicContact CD2-CG1 4.06Å; L355-V409 HydrophobicContact CD2-CG2 4.23Å; R360-V409 CarbonylContact O-C 3.56Å; R360-V409 WeakPolarHBondContact O-CA 3.25Å; I362-V409 HydrophobicContact CG1-CG1 4.4Å; A401-V409 HydrophobicContact CB-CG2 4.14Å; F402-V409 HydrophobicContact CE1-CG2 4.16Å; V409-L411 HydrophobicContact CG1-CD2 4.01Å; V409-K463 PolarHBondContact N-O 2.81Å; V409-I464 CarbonylContact O-C 3.58Å; V409-I464 WeakPolarHBondContact O-CA 3.23Å; V409-L465 PolarHBondContact O-N 3.02Å
410	I	98.9	Very high	95.2	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127	176.1	-60.9	167	0	0	0	109.1	L323 R360 C361 I362 L465 K467 I578 L652	L323-I410 HydrophobicContact CD2-CD1 4.45Å; R360-I410 PolarHBondContact O-N 3.12Å; C361-I410 WeakPolarHBondContact CA-O 3.33Å; C361-I410 HydrophobicContact CB-CB 4.26Å; I362-I410 PolarHBondContact N-O 3.05Å; I410-L465 WeakPolarHBondContact CA-O 3.35Å; I410-K467 HydrophobicContact CG2-CB 4.48Å; I410-I578 HydrophobicContact CD1-CD1 4.24Å; I410-I578 HydrophobicContact CG2-CG2 4.27Å; I410-L652 HydrophobicContact CD1-CD1 4.41Å; I410-L652 HydrophobicContact CD1-CD2 3.86Å
411	L	98.7	Very high	94.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107	173.5	-54.5	-172.6	0	0	0	109	I362 L364 I397 V409 F413 F434 I464 L465 K467	I362-L411 HydrophobicContact CD1-CD2 3.57Å; I362-L411 HydrophobicContact CG1-CD2 3.62Å; L364-L411 HydrophobicContact CD1-CB 4.03Å; L364-L411 HydrophobicContact CD1-CD2 4.2Å; I397-L411 HydrophobicContact CD1-CD2 4.23Å; I397-L411 HydrophobicContact CG2-CD2 4.24Å; V409-L411 HydrophobicContact CG1-CD2 4.01Å; L411-F413 HydrophobicContact CB-CD2 4.03Å; L411-F413 HydrophobicContact CB-CE2 3.67Å; L411-F413 HydrophobicContact CD1-CE2 4.08Å; L411-F413 PolarHBondContact O-N 3.46Å; L411-F434 HydrophobicContact CD1-CE2 3.64Å; L411-F434 HydrophobicContact CD1-CZ 3.78Å; L411-I464 HydrophobicContact CD1-CG2 3.61Å; L411-I464 HydrophobicContact CD2-CG2 4.3Å; L411-I464 HydrophobicContact CG-CG2 3.69Å; L411-L465 PolarHBondContact N-O 3.45Å; L411-K467 PolarHBondContact O-N 3.3Å
412	S	98.3	Very high	94.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	96.3	169.6	-179.4	0	0	0	0	108.8	I362 E363 L364 K467	I362-S412 WeakPolarHBondContact O-CB 3.35Å; I362-S412 PolarHBondContact O-N 3.21Å; E363-S412 CarbonylContact C-O 3.57Å; E363-S412 WeakPolarHBondContact CA-O 3.49Å; E363-S412 PolarHBondContact OE1-OG 2.72Å; L364-S412 PolarHBondContact N-O 2.73Å; S412-K467 WeakPolarHBondContact OG-CD 3.44Å; S412-K467 PolarHBondContact OG-NZ 3.41Å
413	F	97	Very high	94.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.9	167.3	-72.7	-111.5	0	0	0	108.8	F390 L411 M426 V466 K467 N468 M571	F390-F413 HydrophobicContact CE2-CD1 4.45Å; F390-F413 AromaticContact CE2-CE1 3.55Å; F390-F413 HydrophobicContact CE2-CE1 3.55Å; F390-F413 HydrophobicContact CE2-CZ 4.15Å; F390-F413 AromaticContact CZ-CE1 3.69Å; F390-F413 HydrophobicContact CZ-CE1 3.69Å; F390-F413 HydrophobicContact CZ-CZ 4.04Å; L411-F413 HydrophobicContact CB-CD2 4.03Å; L411-F413 HydrophobicContact CB-CE2 3.67Å; L411-F413 HydrophobicContact CD1-CE2 4.08Å; L411-F413 PolarHBondContact O-N 3.46Å; F413-M426 HydrophobicContact CD1-CE 3.82Å; F413-M426 HydrophobicContact CE1-CE 3.72Å; F413-V466 HydrophobicContact CD2-CG1 3.8Å; F413-V466 HydrophobicContact CE2-CG1 3.82Å; F413-V466 HydrophobicContact CE2-CG2 4.15Å; F413-K467 WeakPolarHBondContact CB-O 3.45Å; F413-K467 PolarHBondContact N-O 2.91Å; F413-K467 PolarHBondContact O-NZ 2.95Å; F413-N468 HydrophobicContact CB-CB 4.14Å; F413-M571 HydrophobicContact CD1-CE 3.89Å; F413-M571 HydrophobicContact CE1-CE 3.69Å; F413-M571 HydrophobicContact CG-CE 4.49Å; F413-M571 HydrophobicContact CZ-CE 4.15Å
414	E	94.6	Very high	94.4	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.056	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	105.3	157.3	-169.5	-176.2	115.1	0	0	106.2	L364 D365 C366 H416 T560 A561 E564	L364-E414 PolarHBondContact O-N 2.9Å; D365-E414 CarbonylContact C-O 3.51Å; C366-E414 PolarHBondContact N-O 2.71Å; E414-H416 IonicContact OE1-CD2 2.85Å; E414-H416 IonicContact OE1-CE1 3.7Å; E414-H416 IonicContact OE1-NE2 2.76Å; E414-H416 PolarHBondContact OE1-NE2 2.84Å; E414-T560 WeakPolarHBondContact OE1-CB 3.48Å; E414-T560 PolarHBondContact OE1-OG1 3.2Å; E414-A561 VanDerWaalsContact CD-CA 3.48Å; E414-A561 PolarHBondContact OE1-N 3.04Å; E414-A561 VanDerWaalsContact OE1-N 3.17Å; E414-A561 VanDerWaalsContact OE2-CA 3.28Å; E414-A561 WeakPolarHBondContact OE2-CA 3.41Å; E414-A561 VanDerWaalsContact OE2-CB 3.23Å; E414-A561 WeakPolarHBondContact OE2-CB 3.43Å; E414-A561 PolarHBondContact OE2-N 2.87Å; E414-E564 HydrophobicContact CG-CG 3.7Å
415	N	93.2	Very high	94.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.1	-163.5	179.7	22.8	0	0	0	112.2	V417 Q423 E564 A565	N415-V417 PolarHBondContact OD1-N 2.67Å; N415-V417 VanDerWaalsContact OD1-N 3.15Å; N415-Q423 PolarHBondContact ND2-NE2 2.74Å; N415-Q423 PolarHBondContact ND2-OE1 2.63Å; N415-E564 CarbonylContact O-C 3.58Å; N415-A565 WeakPolarHBondContact O-CB 3.49Å; N415-A565 PolarHBondContact O-N 3.03Å
416	H	92	Very high	94.4	Very high	17 Å²	17	25.3 Å²	25.3	8%	0.079	14%	0.14	C	C	.	.			trans	-113	13	175.4	-62.5	-72.4	0	0	0	113.2	C366 W367 E414 D418 T560	C366-H416 CarbonylContact O-C 3.55Å; C366-H416 WeakPolarHBondContact O-CA 3.42Å; C366-H416 WeakPolarHBondContact O-CB 3.48Å; C366-H416 PolarHBondContact O-N 2.91Å; W367-H416 HydrophobicContact CD2-CB 3.67Å; W367-H416 AromaticContact CE2-CD2 3.4Å; W367-H416 VanDerWaalsContact CE2-CD2 3.4Å; W367-H416 AromaticContact CE2-CG 3.72Å; W367-H416 HydrophobicContact CE3-CB 3.59Å; W367-H416 HydrophobicContact CG-CB 4.33Å; W367-H416 HydrophobicContact CH2-CB 3.82Å; W367-H416 AromaticContact CH2-CD2 3.74Å; W367-H416 AromaticContact CH2-CG 3.48Å; W367-H416 VanDerWaalsContact CH2-CG 3.48Å; W367-H416 AromaticContact CH2-ND1 3.76Å; W367-H416 HydrophobicContact CZ2-CB 3.9Å; W367-H416 AromaticContact CZ2-CD2 3.14Å; W367-H416 WeakPolarHBondContact CZ2-CD2 3.46Å; W367-H416 AromaticContact CZ2-CG 3.39Å; W367-H416 AromaticContact CZ2-ND1 3.97Å; W367-H416 AromaticContact CZ2-NE2 3.57Å; W367-H416 HydrophobicContact CZ3-CB 3.69Å; W367-H416 AromaticContact CZ3-CG 3.89Å; W367-H416 AromaticContact NE1-CD2 3.79Å; E414-H416 IonicContact OE1-CD2 2.85Å; E414-H416 IonicContact OE1-CE1 3.7Å; E414-H416 IonicContact OE1-NE2 2.76Å; E414-H416 PolarHBondContact OE1-NE2 2.84Å; H416-D418 PolarHBondContact O-N 3.33Å; H416-D418 VanDerWaalsContact O-N 3.15Å; H416-T560 PolarHBondContact CE1-O 2.69Å; H416-T560 VanDerWaalsContact CE1-O 3.22Å
417	V	91.3	Very high	94.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.			trans	-80.4	96.4	178.8	-176.3	0	0	0	0	109.7	C366 N415 S419 Q422 Q423 M426	C366-V417 HydrophobicContact CB-CG2 4.13Å; C366-V417 WeakPolarHBondContact O-CG2 3.47Å; C366-V417 PolarHBondContact O-N 2.81Å; N415-V417 PolarHBondContact OD1-N 2.67Å; N415-V417 VanDerWaalsContact OD1-N 3.15Å; V417-S419 VanDerWaalsContact C-N 3.29Å; V417-S419 PolarHBondContact O-N 3.4Å; V417-Q422 HydrophobicContact CG1-CB 3.42Å; V417-Q422 VanDerWaalsContact CG1-CB 3.42Å; V417-Q423 HydrophobicContact CB-CG 3.99Å; V417-Q423 HydrophobicContact CG1-CG 3.97Å; V417-Q423 PolarHBondContact O-NE2 3.26Å; V417-M426 HydrophobicContact CB-SD 4.16Å; V417-M426 HydrophobicContact CG1-SD 4.4Å; V417-M426 HydrophobicContact CG2-SD 3.63Å
418	D	87.3	Confident	94.3	Very high	95 Å²	95	27.3 Å²	27.3	51%	0.508	14%	0.144	S	C	.	.			trans	-71.9	-17.2	178.8	59.8	9.4	0	0	0	114.5	K368 H416 P420	K368-D418 WeakPolarHBondContact CD-OD1 3.28Å; K368-D418 IonicContact NZ-OD1 2.68Å; K368-D418 IonicContact NZ-OD2 2.88Å; K368-D418 PolarHBondContact NZ-OD2 3.07Å; H416-D418 PolarHBondContact O-N 3.33Å; H416-D418 VanDerWaalsContact O-N 3.15Å; D418-P420 WeakPolarHBondContact O-CD 3.45Å
419	S	89.4	Confident	94.2	Very high	29 Å²	29	28.8 Å²	28.8	20%	0.203	15%	0.149	C	C	.	.			trans	-85.1	118.4	178.6	175.8	0	0	0	0	112.4	V417 K421 Q422 Q423	V417-S419 VanDerWaalsContact C-N 3.29Å; V417-S419 PolarHBondContact O-N 3.4Å; S419-K421 PolarHBondContact O-N 3.28Å; S419-Q422 PolarHBondContact O-N 2.96Å; S419-Q422 VanDerWaalsContact O-N 3.1Å; S419-Q423 PolarHBondContact O-N 2.71Å
420	P	90.2	Very high	94.2	Very high	80 Å²	80	28.8 Å²	28.8	52%	0.519	15%	0.149	S	C	.	.	H	α-helix	trans	-59	-35.1	176.4	-27.1	36.7	0	0	0	113.7	D418 Q422 Q423 A424 T568	D418-P420 WeakPolarHBondContact O-CD 3.45Å; P420-Q422 VanDerWaalsContact C-N 3.32Å; P420-Q422 PolarHBondContact O-N 3.45Å; P420-Q423 PolarHBondContact O-N 3.02Å; P420-A424 WeakPolarHBondContact O-CB 3.36Å; P420-A424 PolarHBondContact O-N 3.4Å; P420-T568 HydrophobicContact CB-CG2 3.82Å; P420-T568 HydrophobicContact CG-CG2 4.27Å
421	K	90.9	Very high	94.1	Very high	131 Å²	131	33 Å²	33	57%	0.57	17%	0.165	S	C	*	.	H	α-helix	trans	-63.1	-37.8	177.3	179	177.3	161.8	-157	0	111.8	E374 S419 K425	E374-K421 IonicContact OE1-NZ 2.81Å; E374-K421 PolarHBondContact OE1-NZ 3.2Å; E374-K421 WeakPolarHBondContact OE2-CD 3.41Å; E374-K421 WeakPolarHBondContact OE2-CE 3.42Å; E374-K421 IonicContact OE2-NZ 2.87Å; E374-K421 PolarHBondContact OE2-NZ 3.22Å; S419-K421 PolarHBondContact O-N 3.28Å; K421-K425 WeakPolarHBondContact O-CB 3.46Å; K421-K425 PolarHBondContact O-N 2.87Å
422	Q	91.7	Very high	94	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-77	-36.1	175.6	-68.7	-174.4	17.2	0	0	112	K368 E374 V417 S419 P420 K425 M426	K368-Q422 VanDerWaalsContact CA-OE1 3.27Å; E374-Q422 HydrophobicContact CB-CG 4.14Å; V417-Q422 HydrophobicContact CG1-CB 3.42Å; V417-Q422 VanDerWaalsContact CG1-CB 3.42Å; S419-Q422 PolarHBondContact O-N 2.96Å; S419-Q422 VanDerWaalsContact O-N 3.1Å; P420-Q422 VanDerWaalsContact C-N 3.32Å; P420-Q422 PolarHBondContact O-N 3.45Å; Q422-K425 WeakPolarHBondContact O-CB 3.41Å; Q422-K425 PolarHBondContact O-N 3.06Å; Q422-M426 WeakPolarHBondContact O-CG 2.99Å; Q422-M426 PolarHBondContact O-N 3.12Å
423	Q	93.1	Very high	94	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-41.9	171.4	-73.1	-162.4	37.7	0	0	112.5	N415 V417 S419 P420 K425 M426 A427 F566 T568 M571	N415-Q423 PolarHBondContact ND2-NE2 2.74Å; N415-Q423 PolarHBondContact ND2-OE1 2.63Å; V417-Q423 HydrophobicContact CB-CG 3.99Å; V417-Q423 HydrophobicContact CG1-CG 3.97Å; V417-Q423 PolarHBondContact O-NE2 3.26Å; S419-Q423 PolarHBondContact O-N 2.71Å; P420-Q423 PolarHBondContact O-N 3.02Å; Q423-K425 VanDerWaalsContact C-N 3.32Å; Q423-K425 PolarHBondContact O-N 3.17Å; Q423-M426 WeakPolarHBondContact O-CB 3.41Å; Q423-M426 PolarHBondContact O-N 2.91Å; Q423-A427 PolarHBondContact O-N 3.47Å; Q423-F566 PolarHBondContact NE2-O 3.36Å; Q423-T568 HydrophobicContact CB-CG2 4Å; Q423-T568 HydrophobicContact CG-CG2 4.35Å; Q423-T568 PolarHBondContact OE1-OG1 3.38Å; Q423-M571 HydrophobicContact CB-CG 4Å
424	A	93.3	Very high	94	Very high	30 Å²	30	39.5 Å²	39.5	25%	0.248	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-42.2	174.3	0	0	0	0	0	111.9	P420 A427 E428 E570	P420-A424 WeakPolarHBondContact O-CB 3.36Å; P420-A424 PolarHBondContact O-N 3.4Å; A424-A427 WeakPolarHBondContact O-CB 3.32Å; A424-A427 PolarHBondContact O-N 2.97Å; A424-E428 PolarHBondContact O-N 2.91Å; A424-E570 HydrophobicContact CB-CB 4.32Å; A424-E570 HydrophobicContact CB-CG 3.9Å
425	K	94.4	Very high	94.1	Very high	40 Å²	40	40.4 Å²	40.4	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-39.2	175.3	-171.6	175.2	178.7	-178.4	0	112.7	E373 E374 E375 K421 Q422 Q423 E428 Y429	E373-K425 PolarHBondContact O-NZ 3.37Å; E374-K425 PolarHBondContact O-NZ 3.19Å; E375-K425 VanDerWaalsContact CD-CE 3.47Å; E375-K425 WeakPolarHBondContact OE1-CE 3.26Å; E375-K425 IonicContact OE1-NZ 3.93Å; E375-K425 PolarHBondContact OE1-NZ 3.06Å; E375-K425 WeakPolarHBondContact OE2-CE 3.5Å; E375-K425 IonicContact OE2-NZ 3Å; E375-K425 PolarHBondContact OE2-NZ 3.15Å; K421-K425 WeakPolarHBondContact O-CB 3.46Å; K421-K425 PolarHBondContact O-N 2.87Å; Q422-K425 WeakPolarHBondContact O-CB 3.41Å; Q422-K425 PolarHBondContact O-N 3.06Å; Q423-K425 VanDerWaalsContact C-N 3.32Å; Q423-K425 PolarHBondContact O-N 3.17Å; K425-E428 PolarHBondContact O-N 3.1Å; K425-Y429 HydrophobicContact CD-CE2 4.39Å; K425-Y429 WeakPolarHBondContact CE-OH 3.3Å; K425-Y429 HydrophobicContact CG-CD2 4.31Å; K425-Y429 HydrophobicContact CG-CE2 3.75Å; K425-Y429 WeakPolarHBondContact O-CD2 3.39Å; K425-Y429 PolarHBondContact O-N 3.18Å
426	M	95.9	Very high	94.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-43.6	170.6	-68.3	165.9	62.6	0	0	111.8	C366 P376 F390 F413 V417 Q422 Q423 Y429 C430 M571	C366-M426 HydrophobicContact CB-CE 3.49Å; C366-M426 VanDerWaalsContact CB-CE 3.49Å; C366-M426 HydrophobicContact CB-SD 4.3Å; C366-M426 VanDerWaalsContact SG-CE 3.54Å; P376-M426 HydrophobicContact CB-CG 3.85Å; P376-M426 HydrophobicContact CB-SD 4.2Å; P376-M426 HydrophobicContact CG-CG 3.68Å; F390-M426 HydrophobicContact CD1-CB 4.45Å; F390-M426 HydrophobicContact CD1-CG 4.06Å; F390-M426 HydrophobicContact CD2-CE 4.39Å; F390-M426 HydrophobicContact CE1-CB 3.81Å; F390-M426 HydrophobicContact CE1-CG 3.88Å; F390-M426 HydrophobicContact CE2-CE 3.91Å; F390-M426 HydrophobicContact CE2-CG 4.49Å; F390-M426 HydrophobicContact CG-CG 4.43Å; F390-M426 HydrophobicContact CZ-CB 3.99Å; F390-M426 HydrophobicContact CZ-CE 4.13Å; F390-M426 HydrophobicContact CZ-CG 4.12Å; F413-M426 HydrophobicContact CD1-CE 3.82Å; F413-M426 HydrophobicContact CE1-CE 3.72Å; V417-M426 HydrophobicContact CB-SD 4.16Å; V417-M426 HydrophobicContact CG1-SD 4.4Å; V417-M426 HydrophobicContact CG2-SD 3.63Å; Q422-M426 WeakPolarHBondContact O-CG 2.99Å; Q422-M426 PolarHBondContact O-N 3.12Å; Q423-M426 WeakPolarHBondContact O-CB 3.41Å; Q423-M426 PolarHBondContact O-N 2.91Å; M426-Y429 PolarHBondContact O-N 3.23Å; M426-C430 PolarHBondContact O-N 3.31Å; M426-C430 PolarHBondContact O-SG 3.42Å; M426-M571 HydrophobicContact CB-SD 3.94Å; M426-M571 HydrophobicContact CE-CE 4.22Å
427	A	95.8	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-38.4	178.2	0	0	0	0	0	111.9	Q423 A424 C430 R431 E570 M571 L574	Q423-A427 PolarHBondContact O-N 3.47Å; A424-A427 WeakPolarHBondContact O-CB 3.32Å; A424-A427 PolarHBondContact O-N 2.97Å; A427-C430 PolarHBondContact O-N 3.42Å; A427-R431 VanDerWaalsContact CB-NH1 3.32Å; A427-R431 VanDerWaalsContact O-CG 3.31Å; A427-R431 WeakPolarHBondContact O-CG 3.26Å; A427-R431 PolarHBondContact O-N 3.13Å; A427-E570 HydrophobicContact CB-CB 3.95Å; A427-E570 WeakPolarHBondContact CB-O 3.35Å; A427-M571 HydrophobicContact CB-CG 4.3Å; A427-M571 HydrophobicContact CB-SD 3.67Å; A427-L574 HydrophobicContact CB-CD1 4.07Å
428	E	96.3	Very high	94.9	Very high	125 Å²	125	48.1 Å²	48.1	58%	0.584	26%	0.263	S	S	*	.	H	α-helix	trans	-62.8	-44.8	172.6	-175.3	176.8	-167.7	0	0	111.9	A424 K425 C430 R431 S432	A424-E428 PolarHBondContact O-N 2.91Å; K425-E428 PolarHBondContact O-N 3.1Å; E428-C430 PolarHBondContact O-N 3.35Å; E428-R431 PolarHBondContact O-N 3Å; E428-S432 VanDerWaalsContact O-CB 3.31Å; E428-S432 WeakPolarHBondContact O-CB 3.47Å; E428-S432 PolarHBondContact O-N 2.97Å; E428-S432 PolarHBondContact O-OG 2.88Å
429	Y	97.5	Very high	95.3	Very high	31 Å²	31	44.1 Å²	44.1	12%	0.122	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-43.6	173.5	-71.9	-33.3	0	0	0	112.3	E375 F390 K391 K425 M426 R431 S432 I433	E375-Y429 PolarHBondContact OE1-OH 3.43Å; E375-Y429 PolarHBondContact OE2-OH 3.28Å; E375-Y429 VanDerWaalsContact OE2-OH 3.08Å; F390-Y429 HydrophobicContact CD1-CD2 4.04Å; F390-Y429 HydrophobicContact CE1-CD2 4.36Å; K391-Y429 HydrophobicContact CB-CD2 4.15Å; K391-Y429 HydrophobicContact CB-CE2 3.99Å; K391-Y429 HydrophobicContact CD-CD1 4.25Å; K391-Y429 HydrophobicContact CD-CE1 3.69Å; K391-Y429 HydrophobicContact CD-CE2 4.31Å; K391-Y429 HydrophobicContact CG-CD1 4.15Å; K391-Y429 HydrophobicContact CG-CD2 4.41Å; K391-Y429 HydrophobicContact CG-CE1 4.07Å; K391-Y429 HydrophobicContact CG-CE2 4.3Å; K391-Y429 HydrophobicContact CG-CG 4.35Å; K425-Y429 HydrophobicContact CD-CE2 4.39Å; K425-Y429 WeakPolarHBondContact CE-OH 3.3Å; K425-Y429 HydrophobicContact CG-CD2 4.31Å; K425-Y429 HydrophobicContact CG-CE2 3.75Å; K425-Y429 WeakPolarHBondContact O-CD2 3.39Å; K425-Y429 PolarHBondContact O-N 3.18Å; M426-Y429 PolarHBondContact O-N 3.23Å; Y429-R431 PolarHBondContact O-N 3.24Å; Y429-S432 PolarHBondContact O-OG 3.32Å; Y429-I433 HydrophobicContact CD1-CD1 4.21Å; Y429-I433 HydrophobicContact CG-CD1 4.33Å; Y429-I433 VanDerWaalsContact O-CB 3.27Å; Y429-I433 WeakPolarHBondContact O-CB 3.31Å; Y429-I433 WeakPolarHBondContact O-CD1 3.5Å; Y429-I433 WeakPolarHBondContact O-CG1 3.48Å; Y429-I433 PolarHBondContact O-N 3.5Å
430	C	97.8	Very high	95.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-47.9	174.8	-65	0	0	0	0	111.5	M426 A427 E428 F434 L438 L574	M426-C430 PolarHBondContact O-N 3.31Å; M426-C430 PolarHBondContact O-SG 3.42Å; A427-C430 PolarHBondContact O-N 3.42Å; E428-C430 PolarHBondContact O-N 3.35Å; C430-F434 HydrophobicContact CB-CD2 4.21Å; C430-F434 HydrophobicContact CB-CE2 4.36Å; C430-F434 VanDerWaalsContact O-CB 3.3Å; C430-F434 WeakPolarHBondContact O-CB 3.38Å; C430-F434 WeakPolarHBondContact O-CD2 3.48Å; C430-F434 PolarHBondContact O-N 3.47Å; C430-L438 HydrophobicContact CB-CD2 3.93Å; C430-L574 HydrophobicContact CB-CD1 3.96Å
431	R	97.3	Very high	95.7	Very high	89 Å²	89	50.2 Å²	50.2	34%	0.336	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-46.8	180	-69.8	178.5	-172.3	101.8	11.3	112.8	A427 E428 Y429 G435 L438 M440 E570 L574	A427-R431 VanDerWaalsContact CB-NH1 3.32Å; A427-R431 VanDerWaalsContact O-CG 3.31Å; A427-R431 WeakPolarHBondContact O-CG 3.26Å; A427-R431 PolarHBondContact O-N 3.13Å; E428-R431 PolarHBondContact O-N 3Å; Y429-R431 PolarHBondContact O-N 3.24Å; R431-G435 WeakPolarHBondContact O-CA 3.45Å; R431-G435 PolarHBondContact O-N 2.9Å; R431-G435 VanDerWaalsContact O-N 3.08Å; R431-L438 HydrophobicContact CG-CD2 4.11Å; R431-M440 HydrophobicContact CG-SD 3.8Å; R431-E570 PolarHBondContact NH2-O 3.17Å; R431-L574 HydrophobicContact CG-CD2 4.35Å
432	S	97.3	Very high	96	Very high	82 Å²	82	46.7 Å²	46.7	57%	0.573	25%	0.251	S	S	*	.	H	α-helix	trans	-76.9	-30.6	-172.5	56	0	0	0	0	114.1	E428 Y429	E428-S432 VanDerWaalsContact O-CB 3.31Å; E428-S432 WeakPolarHBondContact O-CB 3.47Å; E428-S432 PolarHBondContact O-N 2.97Å; E428-S432 PolarHBondContact O-OG 2.88Å; Y429-S432 PolarHBondContact O-OG 3.32Å
433	I	97.6	Very high	96.2	Very high	43 Å²	43	48.8 Å²	48.8	22%	0.221	26%	0.262	C	S	.	.	H	α-helix	trans	-93.8	-38.9	-176.1	-59.7	161.7	0	0	0	111.7	K391 I394 E395 A398 Y429	K391-I433 HydrophobicContact CG-CD1 4.13Å; I394-I433 HydrophobicContact CB-CD1 4.2Å; I394-I433 HydrophobicContact CG2-CB 3.77Å; I394-I433 HydrophobicContact CG2-CD1 3.68Å; I394-I433 HydrophobicContact CG2-CG1 4.33Å; I394-I433 HydrophobicContact CG2-CG2 3.87Å; E395-I433 HydrophobicContact CB-CG2 4.49Å; E395-I433 HydrophobicContact CG-CD1 3.95Å; E395-I433 HydrophobicContact CG-CG1 4.37Å; E395-I433 HydrophobicContact CG-CG2 3.93Å; A398-I433 HydrophobicContact CB-CG2 3.89Å; Y429-I433 HydrophobicContact CD1-CD1 4.21Å; Y429-I433 HydrophobicContact CG-CD1 4.33Å; Y429-I433 VanDerWaalsContact O-CB 3.27Å; Y429-I433 WeakPolarHBondContact O-CB 3.31Å; Y429-I433 WeakPolarHBondContact O-CD1 3.5Å; Y429-I433 WeakPolarHBondContact O-CG1 3.48Å; Y429-I433 PolarHBondContact O-N 3.5Å
434	F	97.9	Very high	96.2	Very high	14 Å²	14	58.2 Å²	58.2	6%	0.061	31%	0.306	C	S	.	.	H	α-helix	trans	-83.4	-27.9	176.2	-60.2	-42.9	0	0	0	113.2	I394 I397 A398 L411 C430 D436 A437 L438 I464	I394-F434 HydrophobicContact CB-CZ 4.4Å; I394-F434 HydrophobicContact CD1-CE2 3.94Å; I394-F434 HydrophobicContact CD1-CZ 3.7Å; I394-F434 HydrophobicContact CG2-CD1 4.41Å; I394-F434 HydrophobicContact CG2-CD2 4.49Å; I394-F434 HydrophobicContact CG2-CE1 3.89Å; I394-F434 HydrophobicContact CG2-CE2 3.99Å; I394-F434 HydrophobicContact CG2-CZ 3.68Å; I394-F434 WeakPolarHBondContact O-CE1 3.5Å; I397-F434 HydrophobicContact CB-CE1 4.05Å; I397-F434 HydrophobicContact CB-CZ 4.26Å; I397-F434 HydrophobicContact CG2-CE1 3.69Å; I397-F434 HydrophobicContact CG2-CZ 3.85Å; A398-F434 HydrophobicContact CB-CD1 3.84Å; A398-F434 HydrophobicContact CB-CE1 4.05Å; L411-F434 HydrophobicContact CD1-CE2 3.64Å; L411-F434 HydrophobicContact CD1-CZ 3.78Å; C430-F434 HydrophobicContact CB-CD2 4.21Å; C430-F434 HydrophobicContact CB-CE2 4.36Å; C430-F434 VanDerWaalsContact O-CB 3.3Å; C430-F434 WeakPolarHBondContact O-CB 3.38Å; C430-F434 WeakPolarHBondContact O-CD2 3.48Å; C430-F434 PolarHBondContact O-N 3.47Å; F434-D436 PolarHBondContact O-N 2.88Å; F434-A437 HydrophobicContact CB-CB 4.42Å; F434-A437 VanDerWaalsContact O-CB 3.3Å; F434-A437 WeakPolarHBondContact O-CB 3.06Å; F434-A437 PolarHBondContact O-N 3.28Å; F434-L438 HydrophobicContact CB-CB 3.95Å; F434-L438 HydrophobicContact CD2-CD1 4.32Å; F434-I464 HydrophobicContact CB-CD1 4.31Å; F434-I464 HydrophobicContact CD1-CD1 3.44Å; F434-I464 VanDerWaalsContact CD1-CD1 3.44Å; F434-I464 HydrophobicContact CD2-CD1 4.26Å; F434-I464 HydrophobicContact CD2-CG2 4.41Å; F434-I464 HydrophobicContact CE1-CD1 3.67Å; F434-I464 HydrophobicContact CE2-CD1 4.44Å; F434-I464 HydrophobicContact CE2-CG2 4.2Å; F434-I464 HydrophobicContact CG-CD1 3.77Å; F434-I464 HydrophobicContact CZ-CD1 4.16Å; F434-I464 HydrophobicContact CZ-CG2 4.49Å
435	G	96.9	Very high	96.3	Very high	31 Å²	31	63.4 Å²	63.4	32%	0.32	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	51.8	-130.4	-177.8	0	0	0	0	0	112.3	R431 A437 L438	R431-G435 WeakPolarHBondContact O-CA 3.45Å; R431-G435 PolarHBondContact O-N 2.9Å; R431-G435 VanDerWaalsContact O-N 3.08Å; G435-A437 PolarHBondContact O-N 3.14Å; G435-L438 PolarHBondContact O-N 3.48Å
436	D	96.1	Very high	96.4	Very high	151 Å²	151	62.5 Å²	62.5	81%	0.807	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-60.8	-14.4	-179.7	-59.9	-31.7	0	0	0	114.5	F434 L438 K463	F434-D436 PolarHBondContact O-N 2.88Å; D436-L438 VanDerWaalsContact C-N 3.35Å; D436-K463 PolarHBondContact O-NZ 3.47Å
437	A	97.6	Very high	96.5	Very high	23 Å²	23	65 Å²	65	19%	0.19	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-72.7	-27.4	173	0	0	0	0	0	112.1	F402 F434 G435 L439 K463 I464	F402-A437 HydrophobicContact CE2-CB 4.23Å; F434-A437 HydrophobicContact CB-CB 4.42Å; F434-A437 VanDerWaalsContact O-CB 3.3Å; F434-A437 WeakPolarHBondContact O-CB 3.06Å; F434-A437 PolarHBondContact O-N 3.28Å; G435-A437 PolarHBondContact O-N 3.14Å; A437-L439 PolarHBondContact O-N 3Å; A437-K463 CarbonylContact O-C 3.59Å; A437-K463 VanDerWaalsContact O-CA 3.3Å; A437-K463 WeakPolarHBondContact O-CA 3.05Å; A437-I464 HydrophobicContact CB-CD1 4.19Å; A437-I464 HydrophobicContact CB-CG1 4.31Å; A437-I464 PolarHBondContact O-N 2.89Å
438	L	98.3	Very high	96.5	Very high	5 Å²	5	67 Å²	67	3%	0.026	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-74.9	123	178.8	-176.4	60.7	0	0	0	111.1	C430 R431 F434 G435 D436 M440 V466 L574	C430-L438 HydrophobicContact CB-CD2 3.93Å; R431-L438 HydrophobicContact CG-CD2 4.11Å; F434-L438 HydrophobicContact CB-CB 3.95Å; F434-L438 HydrophobicContact CD2-CD1 4.32Å; G435-L438 PolarHBondContact O-N 3.48Å; D436-L438 VanDerWaalsContact C-N 3.35Å; L438-M440 HydrophobicContact CB-CG 4.43Å; L438-M440 HydrophobicContact CD2-CG 3.95Å; L438-M440 HydrophobicContact CD2-SD 4.33Å; L438-M440 HydrophobicContact CG-CG 3.86Å; L438-M440 PolarHBondContact O-N 3.11Å; L438-M440 VanDerWaalsContact O-N 3.15Å; L438-V466 HydrophobicContact CD1-CG2 3.91Å; L438-L574 HydrophobicContact CD2-CD1 4.3Å; L438-L574 HydrophobicContact CD2-CD2 3.89Å
439	L	97.2	Very high	96.4	Very high	11 Å²	11	65.6 Å²	65.6	6%	0.058	34%	0.342	C	S	.	.			trans	-80	96.2	174.5	-174	75.3	0	0	0	110.5	A437 E441 L443 L460 I464 L465 I576 Y577	A437-L439 PolarHBondContact O-N 3Å; L439-E441 WeakPolarHBondContact CD1-O 3.21Å; L439-L443 HydrophobicContact CD1-CD2 4.27Å; L439-L460 HydrophobicContact CD2-CD2 4.04Å; L439-I464 PolarHBondContact N-O 3.5Å; L439-L465 HydrophobicContact CD2-CD2 3.87Å; L439-L465 HydrophobicContact CD2-CG 4.13Å; L439-I576 HydrophobicContact CD2-CB 4.37Å; L439-I576 HydrophobicContact CD2-CG2 4.34Å; L439-Y577 HydrophobicContact CD2-CD2 3.52Å; L439-Y577 HydrophobicContact CD2-CE2 3.64Å
440	M	93.6	Very high	96.3	Very high	87 Å²	87	67.1 Å²	67.1	43%	0.429	36%	0.361	S	S	.	.			trans	-92.7	-14.7	-178.8	-63.3	-173.8	-72.3	0	0	114.8	R431 L438 L574 I576	R431-M440 HydrophobicContact CG-SD 3.8Å; L438-M440 HydrophobicContact CB-CG 4.43Å; L438-M440 HydrophobicContact CD2-CG 3.95Å; L438-M440 HydrophobicContact CD2-SD 4.33Å; L438-M440 HydrophobicContact CG-CG 3.86Å; L438-M440 PolarHBondContact O-N 3.11Å; L438-M440 VanDerWaalsContact O-N 3.15Å; M440-L574 HydrophobicContact CG-CD2 4.07Å; M440-I576 WeakPolarHBondContact O-CD1 3.38Å
441	E	94.3	Very high	96.1	Very high	149 Å²	149	69.3 Å²	69.3	70%	0.696	38%	0.384	S	S	*	.	S	Bend	trans	-136.7	155.6	-177.4	-65.9	-172.9	168	0	0	111.1	L439	L439-E441 WeakPolarHBondContact CD1-O 3.21Å
442	P	95.6	Very high	96.1	Very high	58 Å²	58	66.5 Å²	66.5	38%	0.377	38%	0.377	S	S	.	.			trans	-64.3	153.1	169.7	-15	30	0	0	0	111.4	L448 I576	P442-L448 HydrophobicContact CB-CG 4.37Å; P442-L448 HydrophobicContact CG-CD1 4.06Å; P442-L448 HydrophobicContact CG-CG 3.95Å; P442-I576 HydrophobicContact CB-CG2 4.27Å; P442-I576 HydrophobicContact CG-CG2 4.14Å
443	L	95.8	Very high	96.1	Very high	52 Å²	52	65.4 Å²	65.4	27%	0.272	37%	0.368	S	S	.	.			trans	-80.6	138.7	171.2	-56	177.1	0	0	0	107.8	L439 K445 Y446 P455 L460 Y577	L439-L443 HydrophobicContact CD1-CD2 4.27Å; L443-K445 PolarHBondContact O-N 3.35Å; L443-Y446 HydrophobicContact CB-CD2 4.37Å; L443-Y446 HydrophobicContact CD1-CD2 4.32Å; L443-Y446 CarbonylContact O-C 3.55Å; L443-Y446 VanDerWaalsContact O-C 3.31Å; L443-Y446 PolarHBondContact O-N 3.01Å; L443-P455 HydrophobicContact CD1-CB 4.15Å; L443-P455 HydrophobicContact CD1-CG 4.19Å; L443-L460 HydrophobicContact CD1-CD2 4.11Å; L443-Y577 WeakPolarHBondContact CB-OH 3.48Å; L443-Y577 HydrophobicContact CG-CE2 4.37Å; L443-Y577 PolarHBondContact N-OH 3.32Å
444	E	94.4	Very high	96.1	Very high	201 Å²	201	63.5 Å²	63.5	94%	0.939	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.2	-176.1	-59.5	-178.5	158.9	0	0	114	Y446	E444-Y446 VanDerWaalsContact C-N 3.31Å; E444-Y446 PolarHBondContact O-N 2.88Å
445	K	95.3	Very high	96.1	Very high	140 Å²	140	62.9 Å²	62.9	61%	0.609	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.2	178.2	-179.1	179	168.6	-165.8	0	113.8	L443 E459	L443-K445 PolarHBondContact O-N 3.35Å; K445-E459 IonicContact NZ-OE1 3.61Å; K445-E459 PolarHBondContact NZ-OE1 2.81Å
446	Y	96.8	Very high	96.2	Very high	21 Å²	21	61.5 Å²	61.5	8%	0.082	34%	0.34	C	S	.	.	S	Bend	trans	-134.3	68.5	-172.5	-56.4	-77	0	0	0	111	L443 E444 V452 P453 P455 E459 Y577	L443-Y446 HydrophobicContact CB-CD2 4.37Å; L443-Y446 HydrophobicContact CD1-CD2 4.32Å; L443-Y446 CarbonylContact O-C 3.55Å; L443-Y446 VanDerWaalsContact O-C 3.31Å; L443-Y446 PolarHBondContact O-N 3.01Å; E444-Y446 VanDerWaalsContact C-N 3.31Å; E444-Y446 PolarHBondContact O-N 2.88Å; Y446-V452 HydrophobicContact CD1-CG1 4.31Å; Y446-P453 HydrophobicContact CD1-CG 4.37Å; Y446-P453 WeakPolarHBondContact CD1-O 3.23Å; Y446-P453 HydrophobicContact CE1-CG 4.2Å; Y446-P455 HydrophobicContact CD2-CB 3.68Å; Y446-P455 HydrophobicContact CD2-CG 3.69Å; Y446-P455 HydrophobicContact CE2-CB 3.71Å; Y446-P455 HydrophobicContact CE2-CG 4.24Å; Y446-P455 HydrophobicContact CG-CB 4.23Å; Y446-P455 HydrophobicContact CG-CG 3.87Å; Y446-E459 WeakPolarHBondContact CE2-OE1 3.34Å; Y446-E459 WeakPolarHBondContact CE2-OE2 3.32Å; Y446-E459 VanDerWaalsContact OH-CD 3.22Å; Y446-E459 PolarHBondContact OH-OE1 3.01Å; Y446-E459 VanDerWaalsContact OH-OE1 3.04Å; Y446-E459 PolarHBondContact OH-OE2 3.26Å; Y446-Y577 WeakPolarHBondContact CB-OH 3.16Å; Y446-Y577 WeakPolarHBondContact O-CE1 2.96Å; Y446-Y577 PolarHBondContact O-OH 3.47Å; Y446-Y577 VanDerWaalsContact O-OH 3.06Å
447	P	97	Very high	96.3	Very high	52 Å²	52	54.3 Å²	54.3	34%	0.338	30%	0.302	S	S	.	.			trans	-64.9	160.5	174.1	29.9	-35.5	0	0	0	111.6	D449 V452	P447-D449 WeakPolarHBondContact CB-OD2 3.1Å; P447-D449 PolarHBondContact O-N 2.94Å; P447-V452 HydrophobicContact CG-CG2 4.31Å; P447-V452 WeakPolarHBondContact O-CG1 3.3Å
448	L	95.6	Very high	96.3	Very high	42 Å²	42	58.2 Å²	58.2	22%	0.22	32%	0.318	C	S	.	.	S	Bend	trans	-81.3	50.2	-176.4	-58.5	-178.7	0	0	0	112.6	P442 I576 Y577 F596	P442-L448 HydrophobicContact CB-CG 4.37Å; P442-L448 HydrophobicContact CG-CD1 4.06Å; P442-L448 HydrophobicContact CG-CG 3.95Å; L448-I576 HydrophobicContact CD1-CG2 4.41Å; L448-I576 HydrophobicContact CD2-CG2 4.19Å; L448-Y577 HydrophobicContact CD2-CD1 3.73Å; L448-Y577 HydrophobicContact CD2-CE1 3.81Å; L448-F596 HydrophobicContact CB-CD1 4.25Å; L448-F596 HydrophobicContact CB-CE1 3.97Å; L448-F596 HydrophobicContact CB-CE2 4.24Å; L448-F596 HydrophobicContact CB-CZ 3.95Å; L448-F596 HydrophobicContact CD2-CB 4.05Å; L448-F596 HydrophobicContact CD2-CD1 4.14Å; L448-F596 HydrophobicContact CD2-CD2 4.22Å; L448-F596 HydrophobicContact CD2-CG 3.88Å; L448-F596 WeakPolarHBondContact O-CE1 3.35Å; L448-F596 WeakPolarHBondContact O-CZ 3.3Å
449	D	95.1	Very high	96.3	Very high	96 Å²	96	61.3 Å²	61.3	51%	0.513	33%	0.332	S	S	.	.			trans	-103.6	166.7	-178.6	-68.6	-54.3	0	0	0	112.6	P447 V452	P447-D449 WeakPolarHBondContact CB-OD2 3.1Å; P447-D449 PolarHBondContact O-N 2.94Å; D449-V452 HydrophobicContact CB-CG2 3.87Å
450	A	95.3	Very high	96.3	Very high	63 Å²	63	60.8 Å²	60.8	52%	0.521	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	139.5	175.8	0	0	0	0	0	111.4	V452 N593 R594	A450-V452 PolarHBondContact O-N 2.82Å; A450-N593 CarbonylContact C-O 3.57Å; A450-N593 VanDerWaalsContact CA-O 3.29Å; A450-N593 WeakPolarHBondContact CA-O 3.33Å; A450-R594 HydrophobicContact CB-CG 4.33Å
451	G	93.8	Very high	96.5	Very high	46 Å²	46	60.3 Å²	60.3	47%	0.474	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-7.9	-176.3	0	0	0	0	0	115.2	N593	G451-N593 PolarHBondContact N-O 2.84Å
452	V	97.4	Very high	96.7	Very high	30 Å²	30	54.5 Å²	54.5	18%	0.182	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-77.5	128.1	174.7	-177	0	0	0	0	109.4	Y446 P447 D449 A450 S595	Y446-V452 HydrophobicContact CD1-CG1 4.31Å; P447-V452 HydrophobicContact CG-CG2 4.31Å; P447-V452 WeakPolarHBondContact O-CG1 3.3Å; D449-V452 HydrophobicContact CB-CG2 3.87Å; A450-V452 PolarHBondContact O-N 2.82Å; V452-S595 WeakPolarHBondContact O-CB 3.33Å; V452-S595 PolarHBondContact O-OG 2.72Å
453	P	96.8	Very high	96.8	Very high	59 Å²	59	54.8 Å²	54.8	38%	0.383	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-74	161.9	176.9	31.7	-35.8	0	0	0	111.7	P322 Y446	P322-P453 HydrophobicContact CB-CB 4.37Å; P322-P453 HydrophobicContact CG-CB 3.94Å; Y446-P453 HydrophobicContact CD1-CG 4.37Å; Y446-P453 WeakPolarHBondContact CD1-O 3.23Å; Y446-P453 HydrophobicContact CE1-CG 4.2Å
454	L	98.1	Very high	97	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-62.7	147.2	167.9	-70.8	167.8	0	0	0	110.9	P322 L323 Y577 F596 L625	P322-L454 WeakPolarHBondContact CA-O 3.25Å; P322-L454 HydrophobicContact CB-CB 4.44Å; P322-L454 VanDerWaalsContact CB-O 3.28Å; P322-L454 WeakPolarHBondContact CB-O 3.41Å; L323-L454 HydrophobicContact CB-CB 3.99Å; L323-L454 HydrophobicContact CB-CD1 4.17Å; L454-Y577 HydrophobicContact CD2-CD1 4.37Å; L454-Y577 HydrophobicContact CD2-CG 4.44Å; L454-F596 HydrophobicContact CD2-CB 4.47Å; L454-L625 HydrophobicContact CD1-CD1 3.94Å; L454-L625 HydrophobicContact CD1-CD2 4.35Å; L454-L625 HydrophobicContact CD1-CG 3.76Å
455	P	98.2	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.006	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-59.7	163.1	169.7	-16.4	26.8	0	0	0	112.2	L323 L443 Y446 L460 Y577	L323-P455 WeakPolarHBondContact CB-O 3.49Å; L323-P455 PolarHBondContact N-O 3.31Å; L443-P455 HydrophobicContact CD1-CB 4.15Å; L443-P455 HydrophobicContact CD1-CG 4.19Å; Y446-P455 HydrophobicContact CD2-CB 3.68Å; Y446-P455 HydrophobicContact CD2-CG 3.69Å; Y446-P455 HydrophobicContact CE2-CB 3.71Å; Y446-P455 HydrophobicContact CE2-CG 4.24Å; Y446-P455 HydrophobicContact CG-CB 4.23Å; Y446-P455 HydrophobicContact CG-CG 3.87Å; P455-L460 HydrophobicContact CB-CD1 3.95Å; P455-L460 HydrophobicContact CB-CD2 4.49Å; P455-L460 HydrophobicContact CB-CG 4.03Å; P455-L460 HydrophobicContact CG-CD1 4.3Å; P455-Y577 HydrophobicContact CG-CD1 4.22Å; P455-Y577 HydrophobicContact CG-CD2 3.9Å; P455-Y577 HydrophobicContact CG-CE1 3.81Å; P455-Y577 HydrophobicContact CG-CE2 3.45Å; P455-Y577 VanDerWaalsContact CG-CE2 3.45Å; P455-Y577 HydrophobicContact CG-CG 4.26Å
456	S	98.4	Very high	97.3	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-79.6	156.8	175.4	66.6	0	0	0	0	113.5	M319 T320 F321 M458 E459 L460	M319-S456 WeakPolarHBondContact O-CB 3.37Å; T320-S456 VanDerWaalsContact C-CB 3.43Å; T320-S456 WeakPolarHBondContact O-CB 3.37Å; F321-S456 WeakPolarHBondContact O-CA 3.45Å; F321-S456 WeakPolarHBondContact O-CB 3.33Å; S456-M458 PolarHBondContact O-N 3.36Å; S456-E459 WeakPolarHBondContact CB-OE2 3.22Å; S456-E459 PolarHBondContact N-OE2 3.41Å; S456-E459 PolarHBondContact O-N 3.23Å; S456-E459 VanDerWaalsContact O-N 3.15Å; S456-E459 VanDerWaalsContact OG-CD 3.28Å; S456-E459 VanDerWaalsContact OG-CG 3.28Å; S456-E459 WeakPolarHBondContact OG-CG 3.44Å; S456-E459 PolarHBondContact OG-N 3.12Å; S456-E459 VanDerWaalsContact OG-N 3.16Å; S456-E459 PolarHBondContact OG-OE2 2.89Å; S456-L460 PolarHBondContact O-N 2.71Å
457	P	98.3	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.9	168.8	-26.1	34.3	0	0	0	113.3	M319 F321 L323 Y326 F407 P408 L460 L461 Y679	M319-P457 HydrophobicContact CE-CB 3.84Å; M319-P457 HydrophobicContact CE-CG 4.29Å; M319-P457 WeakPolarHBondContact O-CD 3.21Å; F321-P457 VanDerWaalsContact O-CD 3.24Å; F321-P457 WeakPolarHBondContact O-CD 3.32Å; L323-P457 HydrophobicContact CD1-CG 4.07Å; Y326-P457 HydrophobicContact CD2-CG 3.72Å; Y326-P457 HydrophobicContact CE1-CG 4.45Å; Y326-P457 HydrophobicContact CE2-CG 3.58Å; Y326-P457 HydrophobicContact CG-CG 4.27Å; F407-P457 HydrophobicContact CD1-CB 3.79Å; F407-P457 HydrophobicContact CE1-CB 4.36Å; P408-P457 WeakPolarHBondContact CD-O 3.24Å; P457-L460 CarbonylContact O-C 3.46Å; P457-L460 PolarHBondContact O-N 2.84Å; P457-L461 PolarHBondContact O-N 2.83Å; P457-Y679 HydrophobicContact CG-CD1 4.17Å; P457-Y679 HydrophobicContact CG-CE1 4.31Å
458	M	97.3	Very high	97.3	Very high	106 Å²	106	33.5 Å²	33.5	52%	0.522	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-29.7	178.8	-168.6	169.9	-172.9	0	0	113.5	M319 T320 S456 L460 L461	M319-M458 HydrophobicContact CB-CB 4.22Å; M319-M458 VanDerWaalsContact O-CB 3.28Å; M319-M458 WeakPolarHBondContact O-CB 3.41Å; M319-M458 PolarHBondContact O-N 3.34Å; M319-M458 VanDerWaalsContact O-N 3.16Å; T320-M458 HydrophobicContact CG2-SD 3.88Å; S456-M458 PolarHBondContact O-N 3.36Å; M458-L460 VanDerWaalsContact C-N 3.26Å; M458-L461 HydrophobicContact CG-CD1 4.14Å; M458-L461 WeakPolarHBondContact O-CD1 3.32Å; M458-L461 VanDerWaalsContact O-CG 3.32Å; M458-L461 WeakPolarHBondContact O-CG 3.48Å
459	E	97.8	Very high	97.1	Very high	69 Å²	69	34.9 Å²	34.9	32%	0.322	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.2	173.8	-69.8	161.4	128.2	0	0	113	K445 Y446 S456	K445-E459 IonicContact NZ-OE1 3.61Å; K445-E459 PolarHBondContact NZ-OE1 2.81Å; Y446-E459 WeakPolarHBondContact CE2-OE1 3.34Å; Y446-E459 WeakPolarHBondContact CE2-OE2 3.32Å; Y446-E459 VanDerWaalsContact OH-CD 3.22Å; Y446-E459 PolarHBondContact OH-OE1 3.01Å; Y446-E459 VanDerWaalsContact OH-OE1 3.04Å; Y446-E459 PolarHBondContact OH-OE2 3.26Å; S456-E459 WeakPolarHBondContact CB-OE2 3.22Å; S456-E459 PolarHBondContact N-OE2 3.41Å; S456-E459 PolarHBondContact O-N 3.23Å; S456-E459 VanDerWaalsContact O-N 3.15Å; S456-E459 VanDerWaalsContact OG-CD 3.28Å; S456-E459 VanDerWaalsContact OG-CG 3.28Å; S456-E459 WeakPolarHBondContact OG-CG 3.44Å; S456-E459 PolarHBondContact OG-N 3.12Å; S456-E459 VanDerWaalsContact OG-N 3.16Å; S456-E459 PolarHBondContact OG-OE2 2.89Å
460	L	98.1	Very high	96.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	20.2	179.8	-67.9	173.2	0	0	0	112.4	P408 L439 L443 P455 S456 P457 M458 G462 K463 L465	P408-L460 HydrophobicContact CB-CB 3.96Å; P408-L460 WeakPolarHBondContact CB-O 3.42Å; P408-L460 WeakPolarHBondContact CD-O 3.26Å; P408-L460 HydrophobicContact CG-CB 3.71Å; L439-L460 HydrophobicContact CD2-CD2 4.04Å; L443-L460 HydrophobicContact CD1-CD2 4.11Å; P455-L460 HydrophobicContact CB-CD1 3.95Å; P455-L460 HydrophobicContact CB-CD2 4.49Å; P455-L460 HydrophobicContact CB-CG 4.03Å; P455-L460 HydrophobicContact CG-CD1 4.3Å; S456-L460 PolarHBondContact O-N 2.71Å; P457-L460 CarbonylContact O-C 3.46Å; P457-L460 PolarHBondContact O-N 2.84Å; M458-L460 VanDerWaalsContact C-N 3.26Å; L460-G462 PolarHBondContact O-N 3.36Å; L460-K463 HydrophobicContact CB-CB 4.5Å; L460-K463 WeakPolarHBondContact O-CB 3Å; L460-K463 PolarHBondContact O-N 2.88Å; L460-L465 HydrophobicContact CD1-CD2 4.2Å
461	L	98	Very high	96	Very high	76 Å²	76	37 Å²	37	40%	0.398	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	133.6	175	-73.3	168.8	0	0	0	111.3	P406 F407 P457 M458 K463	P406-L461 HydrophobicContact CB-CD2 4.02Å; P406-L461 HydrophobicContact CG-CD2 4.04Å; P406-L461 WeakPolarHBondContact O-CA 3.39Å; F407-L461 HydrophobicContact CD1-CD2 3.68Å; F407-L461 HydrophobicContact CE1-CD2 3.73Å; F407-L461 HydrophobicContact CG-CD2 4.13Å; F407-L461 HydrophobicContact CZ-CD2 4.23Å; P457-L461 PolarHBondContact O-N 2.83Å; M458-L461 HydrophobicContact CG-CD1 4.14Å; M458-L461 WeakPolarHBondContact O-CD1 3.32Å; M458-L461 VanDerWaalsContact O-CG 3.32Å; M458-L461 WeakPolarHBondContact O-CG 3.48Å; L461-K463 PolarHBondContact O-N 3Å
462	G	97.8	Very high	94.4	Very high	27 Å²	27	40.5 Å²	40.5	28%	0.278	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	11.4	-177.2	0	0	0	0	0	115.1	F402 P406 L460	F402-G462 WeakPolarHBondContact CE2-O 3.33Å; F402-G462 WeakPolarHBondContact CZ-O 3.5Å; P406-G462 PolarHBondContact O-N 2.87Å; L460-G462 PolarHBondContact O-N 3.36Å
463	K	98.6	Very high	91.7	Very high	65 Å²	65	46.4 Å²	46.4	28%	0.283	23%	0.227	S	C	.	.			trans	-101.7	143.4	-177.7	-60	-62.4	179.2	174.9	0	114.2	P408 V409 D436 A437 L460 L461	P408-K463 CarbonylContact C-O 3.53Å; P408-K463 WeakPolarHBondContact CA-O 3.35Å; P408-K463 WeakPolarHBondContact CB-O 3.36Å; V409-K463 PolarHBondContact N-O 2.81Å; D436-K463 PolarHBondContact O-NZ 3.47Å; A437-K463 CarbonylContact O-C 3.59Å; A437-K463 VanDerWaalsContact O-CA 3.3Å; A437-K463 WeakPolarHBondContact O-CA 3.05Å; L460-K463 HydrophobicContact CB-CB 4.5Å; L460-K463 WeakPolarHBondContact O-CB 3Å; L460-K463 PolarHBondContact O-N 2.88Å; L461-K463 PolarHBondContact O-N 3Å
464	I	98.8	Very high	88.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.6	175	-58.4	179.8	0	0	0	107.7	A401 F402 V409 L411 F434 A437 L439	A401-I464 HydrophobicContact CB-CD1 4.45Å; F402-I464 HydrophobicContact CE2-CD1 4.23Å; F402-I464 HydrophobicContact CE2-CG1 4.02Å; F402-I464 HydrophobicContact CZ-CD1 4.43Å; F402-I464 HydrophobicContact CZ-CG1 3.75Å; V409-I464 CarbonylContact O-C 3.58Å; V409-I464 WeakPolarHBondContact O-CA 3.23Å; L411-I464 HydrophobicContact CD1-CG2 3.61Å; L411-I464 HydrophobicContact CD2-CG2 4.3Å; L411-I464 HydrophobicContact CG-CG2 3.69Å; F434-I464 HydrophobicContact CB-CD1 4.31Å; F434-I464 HydrophobicContact CD1-CD1 3.44Å; F434-I464 VanDerWaalsContact CD1-CD1 3.44Å; F434-I464 HydrophobicContact CD2-CD1 4.26Å; F434-I464 HydrophobicContact CD2-CG2 4.41Å; F434-I464 HydrophobicContact CE1-CD1 3.67Å; F434-I464 HydrophobicContact CE2-CD1 4.44Å; F434-I464 HydrophobicContact CE2-CG2 4.2Å; F434-I464 HydrophobicContact CG-CD1 3.77Å; F434-I464 HydrophobicContact CZ-CD1 4.16Å; F434-I464 HydrophobicContact CZ-CG2 4.49Å; A437-I464 HydrophobicContact CB-CD1 4.19Å; A437-I464 HydrophobicContact CB-CG1 4.31Å; A437-I464 PolarHBondContact O-N 2.89Å; L439-I464 PolarHBondContact N-O 3.5Å
465	L	98.6	Very high	85.3	Confident	5 Å²	5	58 Å²	58	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.4	-177.9	-60.4	94.3	0	0	0	110.5	P408 V409 I410 L411 L439 L460 Y577 I578	P408-L465 HydrophobicContact CB-CD1 3.63Å; V409-L465 PolarHBondContact O-N 3.02Å; I410-L465 WeakPolarHBondContact CA-O 3.35Å; L411-L465 PolarHBondContact N-O 3.45Å; L439-L465 HydrophobicContact CD2-CD2 3.87Å; L439-L465 HydrophobicContact CD2-CG 4.13Å; L460-L465 HydrophobicContact CD1-CD2 4.2Å; L465-Y577 HydrophobicContact CD2-CD2 4.11Å; L465-I578 HydrophobicContact CB-CG1 3.95Å; L465-I578 HydrophobicContact CD2-CD1 4.2Å; L465-I578 HydrophobicContact CD2-CG1 4.01Å
466	V	98.2	Very high	82.2	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.7	179	175.3	0	0	0	0	110.6	F413 L438 N468 L574 V575	F413-V466 HydrophobicContact CD2-CG1 3.8Å; F413-V466 HydrophobicContact CE2-CG1 3.82Å; F413-V466 HydrophobicContact CE2-CG2 4.15Å; L438-V466 HydrophobicContact CD1-CG2 3.91Å; V466-N468 HydrophobicContact CG1-CB 3.98Å; V466-L574 HydrophobicContact CB-CB 4.24Å; V466-L574 HydrophobicContact CG1-CB 4.43Å; V466-L574 HydrophobicContact CG2-CB 4.19Å; V466-V575 HydrophobicContact CG1-CG2 4.33Å
467	K	97.9	Very high	79	Confident	10 Å²	10	70.7 Å²	70.7	4%	0.043	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.5	160.5	168.5	-104.6	167.6	-162.9	0	107.7	I410 L411 S412 F413 E564 I578 P580 M598	I410-K467 HydrophobicContact CG2-CB 4.48Å; L411-K467 PolarHBondContact O-N 3.3Å; S412-K467 WeakPolarHBondContact OG-CD 3.44Å; S412-K467 PolarHBondContact OG-NZ 3.41Å; F413-K467 WeakPolarHBondContact CB-O 3.45Å; F413-K467 PolarHBondContact N-O 2.91Å; F413-K467 PolarHBondContact O-NZ 2.95Å; K467-E564 IonicContact NZ-OE1 2.81Å; K467-I578 HydrophobicContact CB-CB 4.27Å; K467-I578 HydrophobicContact CB-CG2 3.79Å; K467-I578 HydrophobicContact CG-CG2 4.3Å; K467-P580 HydrophobicContact CG-CB 4.29Å; K467-P580 HydrophobicContact CG-CG 4.15Å; K467-M598 HydrophobicContact CG-SD 4.32Å
468	N	95.3	Very high	75.9	Confident	0 Å²	0	76 Å²	76	0%	0	41%	0.407	C	S	.	.			trans	-153.2	162.9	171.3	-169.1	2.3	0	0	0	107.7	F413 V466 M571 V575 P580	F413-N468 HydrophobicContact CB-CB 4.14Å; V466-N468 HydrophobicContact CG1-CB 3.98Å; N468-M571 WeakPolarHBondContact ND2-CE 3.49Å; N468-V575 HydrophobicContact CB-CG2 3.9Å; N468-V575 WeakPolarHBondContact O-CG1 2.99Å; N468-V575 WeakPolarHBondContact O-CG2 3.41Å; N468-P580 VanDerWaalsContact C-CG 3.47Å; N468-P580 WeakPolarHBondContact O-CD 3.44Å; N468-P580 VanDerWaalsContact O-CG 3.24Å; N468-P580 WeakPolarHBondContact O-CG 3.37Å
469	K	90.9	Very high	72.6	Confident	72 Å²	72	77.5 Å²	77.5	31%	0.313	42%	0.422	S	S	.	.			trans	-55.2	142.7	173.2	-74.7	171.8	176.1	178.2	0	110.9	E564 A565 A567	K469-E564 HydrophobicContact CD-CB 4.36Å; K469-E564 WeakPolarHBondContact CD-OE2 3.46Å; K469-E564 WeakPolarHBondContact CE-OE2 3.4Å; K469-E564 WeakPolarHBondContact CG-OE2 3.3Å; K469-E564 VanDerWaalsContact NZ-C 3.35Å; K469-E564 VanDerWaalsContact NZ-CB 3.28Å; K469-E564 PolarHBondContact NZ-O 2.84Å; K469-E564 IonicContact NZ-OE2 2.72Å; K469-A565 VanDerWaalsContact CD-O 3.24Å; K469-A565 WeakPolarHBondContact CD-O 3.48Å; K469-A565 PolarHBondContact NZ-O 3.41Å; K469-A567 HydrophobicContact CB-CB 3.94Å; K469-A567 WeakPolarHBondContact O-CB 3.3Å
470	K	88.2	Confident	69.7	Low	58 Å²	58	84.1 Å²	84.1	25%	0.252	45%	0.45	S	S	.	.			trans	-117.8	134.3	177.9	-163.4	175.7	-170.5	167.8	0	110.2	S572 V575 Q579	K470-S572 VanDerWaalsContact CG-OG 3.31Å; K470-S572 WeakPolarHBondContact CG-OG 3.45Å; K470-V575 HydrophobicContact CB-CB 4.27Å; K470-V575 HydrophobicContact CB-CG1 4.19Å; K470-V575 HydrophobicContact CD-CB 4.18Å; K470-V575 HydrophobicContact CD-CG1 4.28Å; K470-V575 WeakPolarHBondContact CD-O 3.37Å; K470-V575 VanDerWaalsContact CE-O 3.27Å; K470-V575 WeakPolarHBondContact CE-O 3.42Å; K470-V575 HydrophobicContact CG-CB 4.29Å; K470-V575 PolarHBondContact NZ-O 3.33Å; K470-Q579 HydrophobicContact CB-CG 3.96Å; K470-Q579 HydrophobicContact CD-CG 4.39Å
471	K	79.9	Confident	66.6	Low	144 Å²	144	93.5 Å²	93.5	63%	0.626	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-86.8	119.9	176.7	-170.3	178.3	-179.3	-174.9	0	109.1	Q473 S572	K471-Q473 PolarHBondContact O-N 2.99Å; K471-S572 PolarHBondContact N-OG 2.91Å
472	H	60.8	Low	63.4	Low	120 Å²	120	99.2 Å²	99.2	56%	0.556	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-72.6	117.5	172.2	-75.2	-71.5	0	0	0	109.8	K474 Q579	H472-K474 PolarHBondContact O-N 2.93Å; H472-Q579 PolarHBondContact NE2-NE2 3.2Å
473	Q	40.5	Very low	60.3	Low	154 Å²	154	106.3 Å²	106.3	72%	0.72	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-66.8	126.7	163.6	-69	179.4	-10.7	0	0	108.3	K471	K471-Q473 PolarHBondContact O-N 2.99Å
474	K	29.8	Very low	56.8	Low	203 Å²	203	108.1 Å²	108.1	88%	0.883	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-66.7	132.5	161.4	-73.4	-169.5	174.8	-170.5	0	107	H472 E476	H472-K474 PolarHBondContact O-N 2.93Å; K474-E476 PolarHBondContact O-N 3.21Å; K474-E476 VanDerWaalsContact O-N 3.12Å
475	A	30.9	Very low	53.6	Low	102 Å²	102	116.3 Å²	116.3	84%	0.843	60%	0.602	S	S	*	*			trans	-67.7	110.8	-178.7	0	0	0	0	0	110.2	G477	A475-G477 PolarHBondContact O-N 2.88Å
476	E	31.6	Very low	50.3	Low	195 Å²	195	124.6 Å²	124.6	91%	0.911	64%	0.641	S	S	*	*			trans	-69.7	112.4	176.7	-72.2	-162.1	147.6	0	0	111	K474 S478	K474-E476 PolarHBondContact O-N 3.21Å; K474-E476 VanDerWaalsContact O-N 3.12Å; E476-S478 PolarHBondContact O-N 3.44Å
477	G	30.8	Very low	46.9	Very low	75 Å²	75	130.6 Å²	130.6	77%	0.773	68%	0.677	S	S	*	*			trans	-68.6	86.1	177.2	0	0	0	0	0	113	A475	A475-G477 PolarHBondContact O-N 2.88Å
478	S	33.3	Very low	43.5	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	70%	0.704	S	S	*	*			trans	47.4	96.8	155	172.1	0	0	0	0	117.4	E476	E476-S478 PolarHBondContact O-N 3.44Å
479	T	29.5	Very low	40.3	Very low	138 Å²	138	142 Å²	142	85%	0.847	75%	0.745	S	S	*	*			trans	-142.8	81.6	147.8	-37.1	0	0	0	0	113.5	K481	T479-K481 PolarHBondContact O-N 3.5Å
480	K	36	Very low	37.2	Very low	208 Å²	208	143.8 Å²	143.8	90%	0.904	76%	0.762	S	S	*	*			trans	-72.3	108.6	168.7	-82.1	-175.8	175.8	175.9	0	111.3
481	K	33.4	Very low	34.3	Very low	198 Å²	198	151.5 Å²	151.5	86%	0.861	79%	0.792	S	S	*	*			trans	-155.1	95.3	155.1	-120.8	171.8	-174.5	177.4	0	115.6	T479	T479-K481 PolarHBondContact O-N 3.5Å
482	K	31.6	Very low	31.8	Very low	197 Å²	197	149.9 Å²	149.9	86%	0.857	80%	0.798	S	S	*	*			trans	39.8	104.5	149	-66.4	-169.2	171.7	-168.8	0	120.9
483	L	30.8	Very low	30	Very low	175 Å²	175	151.5 Å²	151.5	92%	0.916	81%	0.811	S	S	*	*				15.6	115.9	114.8	-77.8	161.9	0	0	0	119.8
484	S	26.9	Very low	29.4	Very low	104 Å²	104	148.4 Å²	148.4	73%	0.727	81%	0.807	S	S	*	*			trans	163.5	132.4	142.2	52	0	0	0	0	107.5
485	E	30.5	Very low	29.2	Very low	173 Å²	173	143.8 Å²	143.8	81%	0.808	80%	0.8	S	S	*	*			cis	-148.3	156.1	5.4	-100.3	154.3	173.1	0	0	107.8
486	Q	29.1	Very low	29	Very low	179 Å²	179	144.1 Å²	144.1	84%	0.836	80%	0.796	S	S	*	*				32.8	134.7	98.7	-63.3	-168.3	-9.8	0	0	115.7
487	V	28.1	Very low	28.7	Very low	127 Å²	127	140.9 Å²	140.9	77%	0.77	79%	0.789	S	S	*	*			cis	-154.5	176	-0.2	107.7	0	0	0	0	110.2
488	S	25.9	Very low	28.4	Very low	88 Å²	88	142.9 Å²	142.9	62%	0.615	79%	0.79	S	S	*	*			trans	-42.3	151.8	-178.6	58.3	0	0	0	0	118.1
489	N	26.7	Very low	27.9	Very low	162 Å²	162	146.3 Å²	146.3	87%	0.866	79%	0.794	S	S	*	*				-153.2	145.8	123.5	-99.4	-22.7	0	0	0	112.4
490	T	27	Very low	28.1	Very low	109 Å²	109	144.9 Å²	144.9	67%	0.669	79%	0.787	S	S	*	*			trans	-121.2	165.1	179.3	44.9	0	0	0	0	110.5
491	Y	26.6	Very low	27.6	Very low	221 Å²	221	140.2 Å²	140.2	87%	0.867	78%	0.781	S	S	*	*			trans	64.7	126.1	175.9	-61.3	-83.2	0	0	0	114.9
492	S	28.2	Very low	27.3	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	78%	0.777	S	S	*	*			cis	-165.3	133.5	43.4	-64.6	0	0	0	0	113.2
493	D	23.6	Very low	27.5	Very low	154 Å²	154	132.6 Å²	132.6	82%	0.824	77%	0.774	S	S	*	*				44	153.5	123.9	-142.7	-1.6	0	0	0	125.2
494	S	26	Very low	27.3	Very low	89 Å²	89	129.7 Å²	129.7	62%	0.622	77%	0.768	S	S	*	*			trans	72.4	79.9	152.3	72.5	0	0	0	0	122.1
495	S	26.8	Very low	27.4	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	77%	0.771	S	S	*	*				46.1	128.2	118.6	67.6	0	0	0	0	123.7
496	S	25.7	Very low	27.2	Very low	110 Å²	110	124.2 Å²	124.2	77%	0.769	77%	0.766	S	S	*	*				114.9	149.2	121.1	77.8	0	0	0	0	122.1
497	V	26	Very low	27.2	Very low	126 Å²	126	121.3 Å²	121.3	76%	0.764	77%	0.765	S	S	*	*			trans	77.4	98.8	162.2	-163.7	0	0	0	0	120.6
498	C	24.3	Very low	27.1	Very low	117 Å²	117	121.7 Å²	121.7	79%	0.791	77%	0.768	S	S	*	*			trans	41.1	123.9	135.2	-50.7	0	0	0	0	123.7
499	E	23.1	Very low	27.2	Very low	183 Å²	183	124.3 Å²	124.3	86%	0.855	77%	0.768	S	S	*	*				23.4	148.9	120.2	-94.1	-162.7	-138.6	0	0	122
500	P	34.5	Very low	27.2	Very low	107 Å²	107	123.9 Å²	123.9	70%	0.695	76%	0.761	S	S	*	*				-155.6	-179.3	54.9	43.5	-22.9	0	0	0	120.3
501	S	24.2	Very low	27.1	Very low	111 Å²	111	124.8 Å²	124.8	78%	0.776	76%	0.758	S	S	*	*			trans	95.2	135	147.9	-60.9	0	0	0	0	121.6
502	S	27.6	Very low	27.1	Very low	112 Å²	112	122.4 Å²	122.4	78%	0.783	76%	0.757	S	S	*	*			trans	-99.1	179.3	-177.4	-39.1	0	0	0	0	113.6
503	P	36	Very low	27	Very low	122 Å²	122	121.5 Å²	121.5	79%	0.792	76%	0.756	S	S	*	*				-129.3	148.6	88.9	8.5	14.1	0	0	0	113.2
504	S	26.8	Very low	27	Very low	114 Å²	114	121.6 Å²	121.6	80%	0.797	76%	0.756	S	S	*	*				74.5	136.8	66.4	-143.8	0	0	0	0	113.3
505	A	29	Very low	27	Very low	96 Å²	96	121.4 Å²	121.4	79%	0.793	76%	0.755	S	S	*	*			cis	-154.4	170.9	16.3	0	0	0	0	0	114.1
506	G	27	Very low	27	Very low	67 Å²	67	121.8 Å²	121.8	69%	0.691	76%	0.758	S	S	*	*			trans	104.1	90.6	167.7	0	0	0	0	0	114.2
507	S	28.1	Very low	27	Very low	118 Å²	118	125.3 Å²	125.3	83%	0.825	76%	0.762	S	S	*	*				64.2	130.1	52.1	90.4	0	0	0	0	113.2
508	T	26.6	Very low	27.6	Very low	135 Å²	135	124.7 Å²	124.7	83%	0.828	76%	0.761	S	S	*	*			cis	-142	177.1	26.4	41	0	0	0	0	113.5
509	K	27	Very low	27.7	Very low	142 Å²	142	123.6 Å²	123.6	62%	0.617	75%	0.754	S	S	*	*			trans	-90.5	-149.7	170.7	-61.4	179.8	163.3	-154.1	0	111.1	E511	K509-E511 WeakPolarHBondContact CD-OE1 3.42Å; K509-E511 WeakPolarHBondContact CE-OE1 3.39Å; K509-E511 IonicContact NZ-OE1 2.81Å; K509-E511 PolarHBondContact NZ-OE1 3.36Å
510	E	27.1	Very low	27.8	Very low	153 Å²	153	122.6 Å²	122.6	72%	0.715	76%	0.755	S	S	*	*			cis	-169.1	143.9	10.4	-142.8	140.7	-164.8	0	0	107.5
511	E	25.7	Very low	27.3	Very low	129 Å²	129	121.2 Å²	121.2	60%	0.603	76%	0.76	S	S	*	*			cis	-166.7	179.6	-22.1	-145.2	160.8	-91.9	0	0	107.7	K509	K509-E511 WeakPolarHBondContact CD-OE1 3.42Å; K509-E511 WeakPolarHBondContact CE-OE1 3.39Å; K509-E511 IonicContact NZ-OE1 2.81Å; K509-E511 PolarHBondContact NZ-OE1 3.36Å
512	M	25.8	Very low	27.5	Very low	171 Å²	171	120.7 Å²	120.7	84%	0.842	76%	0.762	S	S	*	*			trans	76.7	142.3	162.1	-68.4	-76.7	178.6	0	0	124.2
513	A	26.1	Very low	27.4	Very low	91 Å²	91	123.7 Å²	123.7	75%	0.752	76%	0.764	S	S	*	*			trans	84.5	102.5	140.5	0	0	0	0	0	124.9
514	D	24.4	Very low	26.9	Very low	155 Å²	155	124.5 Å²	124.5	83%	0.829	76%	0.761	S	S	*	*				87.1	148.1	113.2	-156	31.2	0	0	0	124.5
515	S	24.7	Very low	26.8	Very low	86 Å²	86	125.5 Å²	125.5	60%	0.601	76%	0.757	S	S	*	*			trans	82	113.7	153	72.7	0	0	0	0	123
516	S	26.9	Very low	26.5	Very low	113 Å²	113	129.2 Å²	129.2	79%	0.79	76%	0.763	S	S	*	*			trans	48.2	137.7	135.6	58.9	0	0	0	0	124.1
517	Q	27	Very low	26.3	Very low	183 Å²	183	136.8 Å²	136.8	86%	0.855	77%	0.771	S	S	*	*			trans	-65.5	170.8	156.6	-58.3	179.2	-33.6	0	0	112.2
518	P	37.8	Very low	26.8	Very low	114 Å²	114	136.2 Å²	136.2	74%	0.74	76%	0.764	S	S	*	*				-151.2	177.4	96.9	40.3	-23.9	0	0	0	117.6
519	S	25.6	Very low	26.9	Very low	94 Å²	94	139 Å²	139	66%	0.657	77%	0.767	S	S	*	*			trans	80.8	126.4	146.7	55.5	0	0	0	0	122.9
520	D	26.1	Very low	26.8	Very low	162 Å²	162	136.1 Å²	136.1	87%	0.866	78%	0.778	S	S	*	*			trans	54.3	135.4	138.4	-48.6	-14.5	0	0	0	121.4
521	G	25	Very low	26.8	Very low	78 Å²	78	140.2 Å²	140.2	80%	0.804	79%	0.787	S	S	*	*			cis	119.2	113.2	-0.2	0	0	0	0	0	113.8
522	A	27.4	Very low	26.9	Very low	100 Å²	100	143 Å²	143	83%	0.826	80%	0.797	S	S	*	*			trans	-163.9	133.1	168.2	0	0	0	0	0	115.8
523	E	25	Very low	26.9	Very low	175 Å²	175	139.5 Å²	139.5	82%	0.818	79%	0.789	S	S	*	*			trans	45.4	102.7	141.1	-56.7	-162.7	121.2	0	0	124.7
524	L	25.6	Very low	27	Very low	139 Å²	139	143.3 Å²	143.3	73%	0.728	80%	0.795	S	S	*	*				53.6	129.7	107.1	-64.2	174.1	0	0	0	124.1
525	N	24.2	Very low	27	Very low	135 Å²	135	139 Å²	139	72%	0.722	79%	0.787	S	S	*	*			trans	69.5	108.5	135.1	-71.7	-28	0	0	0	122.4
526	L	23.4	Very low	27.3	Very low	173 Å²	173	144.6 Å²	144.6	91%	0.906	80%	0.804	S	S	*	*				179.2	155.3	99.4	-95.8	168.4	0	0	0	114.9
527	R	24	Very low	27.2	Very low	227 Å²	227	145.8 Å²	145.8	86%	0.857	81%	0.806	S	S	*	*			trans	-95.4	163.1	165.8	-81.8	-178.5	176.4	-173.5	-0.3	108.7
528	P	38.2	Very low	27.5	Very low	106 Å²	106	146.7 Å²	146.7	69%	0.688	81%	0.81	S	S	*	*			cis	-159.4	165.3	48.8	43.2	-20.3	0	0	0	122.2
529	H	27.2	Very low	27	Very low	193 Å²	193	145.7 Å²	145.7	89%	0.894	81%	0.812	S	S	*	*			trans	65.7	120.5	143.9	-66.5	-3.1	0	0	0	122.8
530	G	25	Very low	27.4	Very low	81 Å²	81	150.7 Å²	150.7	84%	0.835	83%	0.825	S	S	*	*			trans	-173.2	127.5	159.5	0	0	0	0	0	113.4
531	R	27.8	Very low	27.3	Very low	240 Å²	240	147.6 Å²	147.6	91%	0.906	82%	0.816	S	S	*	*			trans	-74.2	159.6	174	-80.1	174	165.4	167.7	-4.6	110.4
532	K	27.8	Very low	27.7	Very low	187 Å²	187	151.3 Å²	151.3	81%	0.813	82%	0.817	S	S	*	*			cis	-166.1	160.9	20.2	-142.2	177.7	-178.6	-170.8	0	112.1
533	S	25	Very low	27.7	Very low	98 Å²	98	154.1 Å²	154.1	69%	0.685	82%	0.818	S	S	*	*			trans	88.7	108.6	145.6	-152.7	0	0	0	0	121.4
534	I	29.5	Very low	28.1	Very low	171 Å²	171	154.1 Å²	154.1	88%	0.877	82%	0.818	S	S	*	*			trans	45.8	110.1	137.6	-50.7	173.9	0	0	0	118.4
535	G	25	Very low	28.7	Very low	64 Å²	64	154.6 Å²	154.6	66%	0.66	82%	0.822	S	S	*	*			trans	-168.5	134.7	157.8	0	0	0	0	0	107.9
536	E	29.3	Very low	29.2	Very low	204 Å²	204	156.4 Å²	156.4	95%	0.953	83%	0.831	S	S	*	*			trans	-73.6	141.4	177.8	-68.7	160.8	134.7	0	0	109.7
537	V	26.3	Very low	29.7	Very low	138 Å²	138	155.4 Å²	155.4	84%	0.836	83%	0.827	S	S	*	*			trans	-131.2	125.7	172.3	-79.7	0	0	0	0	109.3
538	E	33	Very low	30.1	Very low	201 Å²	201	149.4 Å²	149.4	94%	0.939	81%	0.812	S	S	*	*			trans	-63.9	142.1	165.5	-62.6	167.1	135.4	0	0	108.6
539	A	27	Very low	30	Very low	94 Å²	94	150.9 Å²	150.9	78%	0.777	81%	0.814	S	S	*	*			trans	-134.2	104.2	171.2	0	0	0	0	0	107.4
540	E	32.8	Very low	30.3	Very low	198 Å²	198	147.5 Å²	147.5	93%	0.925	80%	0.802	S	S	*	*			trans	-68.8	139.8	160.3	-65.1	-178.1	143.9	0	0	108.1
541	S	25.9	Very low	31	Very low	98 Å²	98	148 Å²	148	69%	0.685	79%	0.792	S	S	*	*			trans	-140.3	102.2	167.9	57.9	0	0	0	0	107.4	D543	S541-D543 PolarHBondContact O-N 3.23Å
542	D	32.2	Very low	31.2	Very low	156 Å²	156	142.5 Å²	142.5	83%	0.834	78%	0.775	S	S	*	*			trans	-62.3	124.2	160.7	-70.2	-39.5	0	0	0	108.1
543	D	27.1	Very low	31.6	Very low	159 Å²	159	141.9 Å²	141.9	85%	0.85	77%	0.772	S	S	*	*			trans	-148.9	71	162.9	-86.6	-46.6	0	0	0	105.5	S541	S541-D543 PolarHBondContact O-N 3.23Å
544	E	34.2	Very low	32.2	Very low	175 Å²	175	138.5 Å²	138.5	82%	0.818	75%	0.753	S	S	*	*			trans	-87.3	164.9	165.2	-69.6	-162.5	138.6	0	0	110.4
545	D	38.4	Very low	33.3	Very low	149 Å²	149	134.1 Å²	134.1	80%	0.797	74%	0.737	S	S	*	*			trans	65.3	79.8	170.9	-63.6	-17.7	0	0	0	119.4
546	D	34.7	Very low	34.9	Very low	172 Å²	172	139.8 Å²	139.8	92%	0.92	75%	0.749	S	S	*	*	S	Bend	trans	-158.7	28.2	135.8	-133	-1.2	0	0	0	116.3
547	D	32.5	Very low	36.8	Very low	152 Å²	152	131.9 Å²	131.9	81%	0.813	71%	0.713	S	S	*	*	S	Bend	trans	-139.3	12.9	-174.7	-130.1	-15.7	0	0	0	115.2	D549	D547-D549 PolarHBondContact O-N 2.96Å
548	D	33.7	Very low	39.2	Very low	101 Å²	101	127.1 Å²	127.1	54%	0.54	68%	0.682	S	S	.	*			trans	-87.8	0.3	-167.7	-166.8	54.8	0	0	0	115.5	K552	D548-K552 PolarHBondContact O-NZ 3.49Å; D548-K552 IonicContact OD2-NZ 2.63Å; D548-K552 PolarHBondContact OD2-NZ 3.38Å
549	D	35.5	Very low	41.4	Very low	138 Å²	138	119.5 Å²	119.5	74%	0.738	66%	0.657	S	S	*	*	S	Bend	trans	-89.6	-26.6	-170.7	-147.8	33.9	0	0	0	114.9	D547	D547-D549 PolarHBondContact O-N 2.96Å
550	D	34.3	Very low	43.8	Very low	121 Å²	121	116 Å²	116	65%	0.647	63%	0.626	S	S	*	*	S	Bend	trans	-85.1	-19.9	176.1	-148.8	28.1	0	0	0	112.9	K552 K553	D550-K552 VanDerWaalsContact C-N 3.27Å; D550-K552 PolarHBondContact O-N 3.17Å; D550-K553 IonicContact OD1-NZ 3.71Å
551	C	38	Very low	45.9	Very low	92 Å²	92	107.8 Å²	107.8	62%	0.622	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-61.4	-30.6	176.9	-79.7	0	0	0	0	113.6	K553 G554	C551-K553 VanDerWaalsContact C-N 3.28Å; C551-K553 PolarHBondContact O-N 2.64Å; C551-G554 PolarHBondContact O-N 2.85Å
552	K	33.8	Very low	47.9	Very low	124 Å²	124	105.4 Å²	105.4	54%	0.539	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-68.7	-20.7	-170.7	-64.8	-177.3	-179.4	74.4	0	114	D548 D550 G554	D548-K552 PolarHBondContact O-NZ 3.49Å; D548-K552 IonicContact OD2-NZ 2.63Å; D548-K552 PolarHBondContact OD2-NZ 3.38Å; D550-K552 VanDerWaalsContact C-N 3.27Å; D550-K552 PolarHBondContact O-N 3.17Å; K552-G554 VanDerWaalsContact C-N 3.34Å; K552-G554 PolarHBondContact O-N 3.48Å
553	K	35.7	Very low	50.1	Low	174 Å²	174	101.8 Å²	101.8	76%	0.757	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-70.7	-24.7	174	-80.4	176.7	-168.1	135.7	0	114.2	D550 C551 S555	D550-K553 IonicContact OD1-NZ 3.71Å; C551-K553 VanDerWaalsContact C-N 3.28Å; C551-K553 PolarHBondContact O-N 2.64Å; K553-S555 VanDerWaalsContact C-N 3.33Å; K553-S555 PolarHBondContact O-N 3.2Å
554	G	37.1	Very low	53	Low	28 Å²	28	95.7 Å²	95.7	29%	0.289	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-73.5	-21	-175.2	0	0	0	0	0	114.8	C551 K552 M556	C551-G554 PolarHBondContact O-N 2.85Å; K552-G554 VanDerWaalsContact C-N 3.34Å; K552-G554 PolarHBondContact O-N 3.48Å; G554-M556 PolarHBondContact O-N 3.33Å
555	S	52	Low	55.3	Low	78 Å²	78	88.4 Å²	88.4	55%	0.545	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-73.9	-20.1	-164.8	-172	0	0	0	0	115.6	K553	K553-S555 VanDerWaalsContact C-N 3.33Å; K553-S555 PolarHBondContact O-N 3.2Å
556	M	59.6	Low	57.5	Low	183 Å²	183	90.4 Å²	90.4	90%	0.901	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-79.7	-27.9	-177.3	-82.9	-172.7	165.1	0	0	113.9	G554	G554-M556 PolarHBondContact O-N 3.33Å
557	D	68.9	Low	59.9	Low	38 Å²	38	82.9 Å²	82.9	20%	0.203	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.6	-173.2	-120.6	22.5	0	0	0	112.7	G559 T604 K631 G632 T633	D557-G559 VanDerWaalsContact C-N 3.35Å; D557-T604 WeakPolarHBondContact OD2-CG2 3.49Å; D557-T604 PolarHBondContact OD2-OG1 3.45Å; D557-K631 WeakPolarHBondContact OD2-CD 3.36Å; D557-G632 PolarHBondContact O-N 3.44Å; D557-T633 WeakPolarHBondContact OD1-CG2 3.42Å
558	E	75.9	Confident	62.6	Low	39 Å²	39	76.8 Å²	76.8	18%	0.182	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.3	-177.9	-67.5	-174.6	126.1	0	0	114.1	A561 V602 K605	E558-A561 WeakPolarHBondContact O-CB 3.33Å; E558-V602 HydrophobicContact CG-CB 4.14Å; E558-V602 HydrophobicContact CG-CG1 3.7Å; E558-K605 WeakPolarHBondContact OE1-CE 3.39Å; E558-K605 IonicContact OE1-NZ 3.57Å; E558-K605 PolarHBondContact OE1-NZ 2.93Å; E558-K605 IonicContact OE2-NZ 2.84Å; E558-K605 PolarHBondContact OE2-NZ 2.73Å
559	G	80	Confident	65.3	Low	40 Å²	40	77 Å²	77	41%	0.412	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	63.2	-144.3	178.3	0	0	0	0	0	113.1	D557 A561 G562	D557-G559 VanDerWaalsContact C-N 3.35Å; G559-A561 VanDerWaalsContact C-N 3.3Å; G559-A561 PolarHBondContact O-N 2.6Å; G559-G562 PolarHBondContact O-N 3.48Å
560	T	78.3	Confident	67.9	Low	21 Å²	21	74 Å²	74	13%	0.129	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-68.4	-26.8	-179.6	46.4	0	0	0	0	113.1	W367 E414 H416 G562 S563	W367-T560 HydrophobicContact CH2-CG2 4.36Å; W367-T560 HydrophobicContact CZ2-CG2 3.99Å; E414-T560 WeakPolarHBondContact OE1-CB 3.48Å; E414-T560 PolarHBondContact OE1-OG1 3.2Å; H416-T560 PolarHBondContact CE1-O 2.69Å; H416-T560 VanDerWaalsContact CE1-O 3.22Å; T560-G562 PolarHBondContact O-N 2.96Å; T560-S563 PolarHBondContact O-N 3.33Å
561	A	75.7	Confident	70.6	Confident	26 Å²	26	68.2 Å²	68.2	22%	0.215	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-54.3	-28.1	176.1	0	0	0	0	0	113.5	E414 E558 G559 S563 Y629	E414-A561 VanDerWaalsContact CD-CA 3.48Å; E414-A561 PolarHBondContact OE1-N 3.04Å; E414-A561 VanDerWaalsContact OE1-N 3.17Å; E414-A561 VanDerWaalsContact OE2-CA 3.28Å; E414-A561 WeakPolarHBondContact OE2-CA 3.41Å; E414-A561 VanDerWaalsContact OE2-CB 3.23Å; E414-A561 WeakPolarHBondContact OE2-CB 3.43Å; E414-A561 PolarHBondContact OE2-N 2.87Å; E558-A561 WeakPolarHBondContact O-CB 3.33Å; G559-A561 VanDerWaalsContact C-N 3.3Å; G559-A561 PolarHBondContact O-N 2.6Å; A561-S563 PolarHBondContact O-N 3.09Å; A561-Y629 HydrophobicContact CB-CE2 4.44Å
562	G	68.8	Low	73.2	Confident	47 Å²	47	64 Å²	64	49%	0.485	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-63	-18.6	177.1	0	0	0	0	0	114.7	G559 T560	G559-G562 PolarHBondContact O-N 3.48Å; T560-G562 PolarHBondContact O-N 2.96Å
563	S	79	Confident	76	Confident	81 Å²	81	61.6 Å²	61.6	57%	0.566	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-134.1	34.6	-173.8	71.9	0	0	0	0	114.9	T560 A561	T560-S563 PolarHBondContact O-N 3.33Å; A561-S563 PolarHBondContact O-N 3.09Å
564	E	86.2	Confident	78.8	Confident	31 Å²	31	53.4 Å²	53.4	15%	0.145	32%	0.315	C	S	.	.			trans	-49.7	142.9	169.9	-77.8	-176.8	-172.1	0	0	112	E414 N415 K467 K469	E414-E564 HydrophobicContact CG-CG 3.7Å; N415-E564 CarbonylContact O-C 3.58Å; K467-E564 IonicContact NZ-OE1 2.81Å; K469-E564 HydrophobicContact CD-CB 4.36Å; K469-E564 WeakPolarHBondContact CD-OE2 3.46Å; K469-E564 WeakPolarHBondContact CE-OE2 3.4Å; K469-E564 WeakPolarHBondContact CG-OE2 3.3Å; K469-E564 VanDerWaalsContact NZ-C 3.35Å; K469-E564 VanDerWaalsContact NZ-CB 3.28Å; K469-E564 PolarHBondContact NZ-O 2.84Å; K469-E564 IonicContact NZ-OE2 2.72Å
565	A	83.1	Confident	81.6	Confident	21 Å²	21	52 Å²	52	17%	0.174	30%	0.301	C	S	.	.			trans	-65.3	176.7	175	0	0	0	0	0	113.6	N415 K469	N415-A565 WeakPolarHBondContact O-CB 3.49Å; N415-A565 PolarHBondContact O-N 3.03Å; K469-A565 VanDerWaalsContact CD-O 3.24Å; K469-A565 WeakPolarHBondContact CD-O 3.48Å; K469-A565 PolarHBondContact NZ-O 3.41Å
566	F	84.8	Confident	83.6	Confident	191 Å²	191	49 Å²	49	84%	0.838	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-80.7	136.9	168.6	-68.6	-78.9	0	0	0	110.6	Q423	Q423-F566 PolarHBondContact NE2-O 3.36Å
567	A	85.4	Confident	85.4	Confident	15 Å²	15	40.6 Å²	40.6	12%	0.124	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-76.8	135.7	174.5	0	0	0	0	0	111.4	K469	K469-A567 HydrophobicContact CB-CB 3.94Å; K469-A567 WeakPolarHBondContact O-CB 3.3Å
568	T	89.3	Confident	86.8	Confident	23 Å²	23	38.8 Å²	38.8	14%	0.141	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-76.5	171.7	167.4	70.7	0	0	0	0	111.4	P420 Q423 E570 S572	P420-T568 HydrophobicContact CB-CG2 3.82Å; P420-T568 HydrophobicContact CG-CG2 4.27Å; Q423-T568 HydrophobicContact CB-CG2 4Å; Q423-T568 HydrophobicContact CG-CG2 4.35Å; Q423-T568 PolarHBondContact OE1-OG1 3.38Å; T568-E570 VanDerWaalsContact C-N 3.33Å; T568-E570 WeakPolarHBondContact CB-OE2 3.36Å; T568-E570 PolarHBondContact O-N 3.12Å; T568-E570 PolarHBondContact OG1-OE2 3.31Å; T568-S572 WeakPolarHBondContact O-CB 3.45Å; T568-S572 PolarHBondContact O-N 2.94Å
569	E	90.6	Very high	87.8	Confident	105 Å²	105	37.2 Å²	37.2	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-39.1	179.3	-174.9	164	170	0	0	112	M571 S572 N573	E569-M571 VanDerWaalsContact C-N 3.32Å; E569-M571 PolarHBondContact O-N 3.12Å; E569-S572 PolarHBondContact O-N 3.13Å; E569-N573 WeakPolarHBondContact CG-ND2 3.31Å; E569-N573 WeakPolarHBondContact O-CB 3.42Å; E569-N573 PolarHBondContact O-N 2.92Å; E569-N573 PolarHBondContact O-ND2 3.23Å; E569-N573 PolarHBondContact O-OD1 2.93Å
570	E	90	Very high	88.6	Confident	76 Å²	76	36.4 Å²	36.4	36%	0.355	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-37.2	-177	-56.5	81.7	178.6	0	0	112.7	A424 A427 R431 T568	A424-E570 HydrophobicContact CB-CB 4.32Å; A424-E570 HydrophobicContact CB-CG 3.9Å; A427-E570 HydrophobicContact CB-CB 3.95Å; A427-E570 WeakPolarHBondContact CB-O 3.35Å; R431-E570 PolarHBondContact NH2-O 3.17Å; T568-E570 VanDerWaalsContact C-N 3.33Å; T568-E570 WeakPolarHBondContact CB-OE2 3.36Å; T568-E570 PolarHBondContact O-N 3.12Å; T568-E570 PolarHBondContact OG1-OE2 3.31Å
571	M	90.9	Very high	89.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-83.4	-40	173.9	-74.1	-62.2	-65.1	0	0	112	F413 Q423 M426 A427 N468 E569 N573 L574	F413-M571 HydrophobicContact CD1-CE 3.89Å; F413-M571 HydrophobicContact CE1-CE 3.69Å; F413-M571 HydrophobicContact CG-CE 4.49Å; F413-M571 HydrophobicContact CZ-CE 4.15Å; Q423-M571 HydrophobicContact CB-CG 4Å; M426-M571 HydrophobicContact CB-SD 3.94Å; M426-M571 HydrophobicContact CE-CE 4.22Å; A427-M571 HydrophobicContact CB-CG 4.3Å; A427-M571 HydrophobicContact CB-SD 3.67Å; N468-M571 WeakPolarHBondContact ND2-CE 3.49Å; E569-M571 VanDerWaalsContact C-N 3.32Å; E569-M571 PolarHBondContact O-N 3.12Å; M571-N573 PolarHBondContact O-N 2.8Å; M571-L574 WeakPolarHBondContact O-CB 3.39Å; M571-L574 PolarHBondContact O-N 2.82Å; M571-L574 HydrophobicContact SD-CD1 4.42Å
572	S	91.3	Very high	90.2	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-34.6	177	176.3	0	0	0	0	112.4	K470 K471 T568 E569 L574 V575	K470-S572 VanDerWaalsContact CG-OG 3.31Å; K470-S572 WeakPolarHBondContact CG-OG 3.45Å; K471-S572 PolarHBondContact N-OG 2.91Å; T568-S572 WeakPolarHBondContact O-CB 3.45Å; T568-S572 PolarHBondContact O-N 2.94Å; E569-S572 PolarHBondContact O-N 3.13Å; S572-L574 PolarHBondContact O-N 2.72Å; S572-V575 PolarHBondContact O-N 3Å
573	N	93.3	Very high	91.4	Very high	74 Å²	74	43.4 Å²	43.4	40%	0.396	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-7.4	178.2	-68.8	-7.3	0	0	0	113.8	E569 M571	E569-N573 WeakPolarHBondContact CG-ND2 3.31Å; E569-N573 WeakPolarHBondContact O-CB 3.42Å; E569-N573 PolarHBondContact O-N 2.92Å; E569-N573 PolarHBondContact O-ND2 3.23Å; E569-N573 PolarHBondContact O-OD1 2.93Å; M571-N573 PolarHBondContact O-N 2.8Å
574	L	94.5	Very high	92	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-8.2	171.5	-57	-176.4	0	0	0	113	A427 C430 R431 L438 M440 V466 M571 S572 I576	A427-L574 HydrophobicContact CB-CD1 4.07Å; C430-L574 HydrophobicContact CB-CD1 3.96Å; R431-L574 HydrophobicContact CG-CD2 4.35Å; L438-L574 HydrophobicContact CD2-CD1 4.3Å; L438-L574 HydrophobicContact CD2-CD2 3.89Å; M440-L574 HydrophobicContact CG-CD2 4.07Å; V466-L574 HydrophobicContact CB-CB 4.24Å; V466-L574 HydrophobicContact CG1-CB 4.43Å; V466-L574 HydrophobicContact CG2-CB 4.19Å; M571-L574 WeakPolarHBondContact O-CB 3.39Å; M571-L574 PolarHBondContact O-N 2.82Å; M571-L574 HydrophobicContact SD-CD1 4.42Å; S572-L574 PolarHBondContact O-N 2.72Å; L574-I576 PolarHBondContact O-N 3.1Å
575	V	96.1	Very high	92.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.235	C	C	.	.			trans	-92.6	99.6	-173.8	-176.1	0	0	0	0	110.1	V466 N468 K470 S572 Q579	V466-V575 HydrophobicContact CG1-CG2 4.33Å; N468-V575 HydrophobicContact CB-CG2 3.9Å; N468-V575 WeakPolarHBondContact O-CG1 2.99Å; N468-V575 WeakPolarHBondContact O-CG2 3.41Å; K470-V575 HydrophobicContact CB-CB 4.27Å; K470-V575 HydrophobicContact CB-CG1 4.19Å; K470-V575 HydrophobicContact CD-CB 4.18Å; K470-V575 HydrophobicContact CD-CG1 4.28Å; K470-V575 WeakPolarHBondContact CD-O 3.37Å; K470-V575 VanDerWaalsContact CE-O 3.27Å; K470-V575 WeakPolarHBondContact CE-O 3.42Å; K470-V575 HydrophobicContact CG-CB 4.29Å; K470-V575 PolarHBondContact NZ-O 3.33Å; S572-V575 PolarHBondContact O-N 3Å; V575-Q579 HydrophobicContact CG1-CB 4.07Å; V575-Q579 HydrophobicContact CG1-CG 4.33Å
576	I	94.9	Very high	93	Very high	13 Å²	13	48.3 Å²	48.3	7%	0.067	23%	0.231	C	C	.	.	S	Bend	trans	-100.2	-92	-179	-53.6	-56.9	0	0	0	111.2	L439 M440 P442 L448 L574	L439-I576 HydrophobicContact CD2-CB 4.37Å; L439-I576 HydrophobicContact CD2-CG2 4.34Å; M440-I576 WeakPolarHBondContact O-CD1 3.38Å; P442-I576 HydrophobicContact CB-CG2 4.27Å; P442-I576 HydrophobicContact CG-CG2 4.14Å; L448-I576 HydrophobicContact CD1-CG2 4.41Å; L448-I576 HydrophobicContact CD2-CG2 4.19Å; L574-I576 PolarHBondContact O-N 3.1Å
577	Y	97.4	Very high	93.5	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.027	22%	0.221	C	C	.	.	S	Bend	trans	-85.1	-10.8	-170.8	-65.7	-61	0	0	0	115.9	L439 L443 Y446 L448 L454 P455 L465 F596	L439-Y577 HydrophobicContact CD2-CD2 3.52Å; L439-Y577 HydrophobicContact CD2-CE2 3.64Å; L443-Y577 WeakPolarHBondContact CB-OH 3.48Å; L443-Y577 HydrophobicContact CG-CE2 4.37Å; L443-Y577 PolarHBondContact N-OH 3.32Å; Y446-Y577 WeakPolarHBondContact CB-OH 3.16Å; Y446-Y577 WeakPolarHBondContact O-CE1 2.96Å; Y446-Y577 PolarHBondContact O-OH 3.47Å; Y446-Y577 VanDerWaalsContact O-OH 3.06Å; L448-Y577 HydrophobicContact CD2-CD1 3.73Å; L448-Y577 HydrophobicContact CD2-CE1 3.81Å; L454-Y577 HydrophobicContact CD2-CD1 4.37Å; L454-Y577 HydrophobicContact CD2-CG 4.44Å; P455-Y577 HydrophobicContact CG-CD1 4.22Å; P455-Y577 HydrophobicContact CG-CD2 3.9Å; P455-Y577 HydrophobicContact CG-CE1 3.81Å; P455-Y577 HydrophobicContact CG-CE2 3.45Å; P455-Y577 VanDerWaalsContact CG-CE2 3.45Å; P455-Y577 HydrophobicContact CG-CG 4.26Å; L465-Y577 HydrophobicContact CD2-CD2 4.11Å; Y577-F596 HydrophobicContact CD1-CB 4.49Å; Y577-F596 VanDerWaalsContact O-CA 3.3Å; Y577-F596 WeakPolarHBondContact O-CA 3.48Å
578	I	97.6	Very high	93.9	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.232	C	C	.	.			trans	-117.4	58.7	-173.4	-38.2	-66	0	0	0	108.7	L323 I410 L465 K467 P580 M598 L625	L323-I578 HydrophobicContact CD2-CD1 3.9Å; I410-I578 HydrophobicContact CD1-CD1 4.24Å; I410-I578 HydrophobicContact CG2-CG2 4.27Å; L465-I578 HydrophobicContact CB-CG1 3.95Å; L465-I578 HydrophobicContact CD2-CD1 4.2Å; L465-I578 HydrophobicContact CD2-CG1 4.01Å; K467-I578 HydrophobicContact CB-CB 4.27Å; K467-I578 HydrophobicContact CB-CG2 3.79Å; K467-I578 HydrophobicContact CG-CG2 4.3Å; I578-P580 WeakPolarHBondContact O-CD 3.49Å; I578-M598 HydrophobicContact CG2-CE 4.45Å; I578-M598 HydrophobicContact CG2-CG 3.86Å; I578-M598 HydrophobicContact CG2-SD 4.48Å; I578-L625 HydrophobicContact CD1-CD1 3.58Å
579	Q	97.1	Very high	94.2	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	109.1	-177.5	-177	178.6	-24.7	0	0	110.4	K470 H472 V575 V581 F596 H597 M598	K470-Q579 HydrophobicContact CB-CG 3.96Å; K470-Q579 HydrophobicContact CD-CG 4.39Å; H472-Q579 PolarHBondContact NE2-NE2 3.2Å; V575-Q579 HydrophobicContact CG1-CB 4.07Å; V575-Q579 HydrophobicContact CG1-CG 4.33Å; Q579-V581 HydrophobicContact CG-CG1 4.41Å; Q579-F596 HydrophobicContact CB-CD2 4.42Å; Q579-F596 WeakPolarHBondContact CB-O 3.11Å; Q579-F596 PolarHBondContact N-O 2.9Å; Q579-H597 WeakPolarHBondContact O-CA 3.24Å; Q579-M598 PolarHBondContact O-N 3.49Å
580	P	95.6	Very high	94.3	Very high	23 Å²	23	49 Å²	49	15%	0.149	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	132.3	176.4	31.5	-33.8	0	0	0	110.4	K467 N468 I578 M598	K467-P580 HydrophobicContact CG-CB 4.29Å; K467-P580 HydrophobicContact CG-CG 4.15Å; N468-P580 VanDerWaalsContact C-CG 3.47Å; N468-P580 WeakPolarHBondContact O-CD 3.44Å; N468-P580 VanDerWaalsContact O-CG 3.24Å; N468-P580 WeakPolarHBondContact O-CG 3.37Å; I578-P580 WeakPolarHBondContact O-CD 3.49Å; P580-M598 CarbonylContact C-O 3.44Å; P580-M598 WeakPolarHBondContact CA-O 3.14Å; P580-M598 HydrophobicContact CB-SD 3.97Å
581	V	94.8	Very high	94.6	Very high	44 Å²	44	54.3 Å²	54.3	27%	0.267	26%	0.258	S	S	.	.			trans	-131.9	148.2	173.9	-61.4	0	0	0	0	110.7	Q579 F583 H597 M598 S599	Q579-V581 HydrophobicContact CG-CG1 4.41Å; V581-F583 PolarHBondContact O-N 3.22Å; V581-H597 HydrophobicContact CG1-CB 4.39Å; V581-H597 HydrophobicContact CG2-CB 3.97Å; V581-M598 PolarHBondContact N-O 2.65Å; V581-S599 PolarHBondContact O-OG 3.06Å
582	K	93.1	Very high	94.8	Very high	160 Å²	160	57.8 Å²	57.8	70%	0.696	28%	0.276	S	S	*	.			trans	-57.6	126.4	171.3	-174.2	179.5	179.1	-175	0	108.6	Y584	K582-Y584 HydrophobicContact CB-CE2 4.21Å; K582-Y584 HydrophobicContact CD-CE1 4.49Å; K582-Y584 HydrophobicContact CG-CE2 4.44Å; K582-Y584 VanDerWaalsContact O-CD2 3.28Å; K582-Y584 WeakPolarHBondContact O-CD2 3.49Å; K582-Y584 WeakPolarHBondContact O-CE2 3.25Å
583	F	94.8	Very high	95	Very high	36 Å²	36	60.7 Å²	60.7	16%	0.158	29%	0.291	C	S	.	.			trans	-75.9	140.3	173.5	-174.6	-99.1	0	0	0	109.9	V581 F586 F601 Q609 Y620	V581-F583 PolarHBondContact O-N 3.22Å; F583-F586 AromaticContact CE2-CD1 3.72Å; F583-F586 HydrophobicContact CE2-CD1 3.72Å; F583-F586 AromaticContact CE2-CE1 3.76Å; F583-F586 HydrophobicContact CE2-CE1 3.76Å; F583-F586 HydrophobicContact CE2-CG 4.4Å; F583-F586 HydrophobicContact CE2-CZ 4.47Å; F583-F586 AromaticContact CZ-CD1 3.59Å; F583-F586 HydrophobicContact CZ-CD1 3.59Å; F583-F586 HydrophobicContact CZ-CD2 4.18Å; F583-F586 AromaticContact CZ-CE1 3.57Å; F583-F586 HydrophobicContact CZ-CE1 3.57Å; F583-F586 HydrophobicContact CZ-CE2 4.17Å; F583-F586 AromaticContact CZ-CG 3.9Å; F583-F586 HydrophobicContact CZ-CG 3.9Å; F583-F586 AromaticContact CZ-CZ 3.87Å; F583-F586 HydrophobicContact CZ-CZ 3.87Å; F583-F601 HydrophobicContact CB-CE1 3.95Å; F583-F601 HydrophobicContact CB-CZ 4.11Å; F583-F601 AromaticContact CD1-CE1 3.76Å; F583-F601 HydrophobicContact CD1-CE1 3.76Å; F583-F601 HydrophobicContact CD1-CZ 4.28Å; F583-F601 AromaticContact CD2-CE1 3.98Å; F583-F601 HydrophobicContact CD2-CE1 3.98Å; F583-F601 AromaticContact CD2-CZ 3.63Å; F583-F601 HydrophobicContact CD2-CZ 3.63Å; F583-F601 HydrophobicContact CE1-CE1 4.19Å; F583-F601 HydrophobicContact CE2-CE1 4.39Å; F583-F601 HydrophobicContact CE2-CZ 4.03Å; F583-F601 AromaticContact CG-CE1 3.62Å; F583-F601 HydrophobicContact CG-CE1 3.62Å; F583-F601 AromaticContact CG-CZ 3.75Å; F583-F601 HydrophobicContact CG-CZ 3.75Å; F583-F601 HydrophobicContact CZ-CE1 4.48Å; F583-Q609 HydrophobicContact CE1-CG 4.45Å; F583-Y620 HydrophobicContact CE2-CE2 4.39Å
584	Y	91.4	Very high	95.1	Very high	165 Å²	165	61.4 Å²	61.4	65%	0.647	29%	0.288	S	S	*	.			trans	-116.8	-68.8	174.8	-65.6	-94.5	0	0	0	109.2	K582	K582-Y584 HydrophobicContact CB-CE2 4.21Å; K582-Y584 HydrophobicContact CD-CE1 4.49Å; K582-Y584 HydrophobicContact CG-CE2 4.44Å; K582-Y584 VanDerWaalsContact O-CD2 3.28Å; K582-Y584 WeakPolarHBondContact O-CD2 3.49Å; K582-Y584 WeakPolarHBondContact O-CE2 3.25Å
585	C	94.5	Very high	95.2	Very high	52 Å²	52	61.6 Å²	61.6	35%	0.351	29%	0.29	S	S	.	.			trans	-156.5	161.9	171	66.9	0	0	0	0	110.7	E587 T588 S589	C585-E587 VanDerWaalsContact C-N 3.29Å; C585-E587 PolarHBondContact O-N 2.94Å; C585-T588 PolarHBondContact O-N 3.44Å; C585-T588 PolarHBondContact SG-OG1 2.85Å; C585-T588 VanDerWaalsContact SG-OG1 3.37Å; C585-S589 PolarHBondContact O-N 2.97Å; C585-S589 VanDerWaalsContact O-N 3.16Å; C585-S589 PolarHBondContact O-OG 3.42Å
586	F	96.1	Very high	95.3	Very high	19 Å²	19	62.2 Å²	62.2	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-36.8	-179.5	-64.1	-61.2	0	0	0	113.1	F583 T588 S589 K590 Q609 E616 F617 Y620	F583-F586 AromaticContact CE2-CD1 3.72Å; F583-F586 HydrophobicContact CE2-CD1 3.72Å; F583-F586 AromaticContact CE2-CE1 3.76Å; F583-F586 HydrophobicContact CE2-CE1 3.76Å; F583-F586 HydrophobicContact CE2-CG 4.4Å; F583-F586 HydrophobicContact CE2-CZ 4.47Å; F583-F586 AromaticContact CZ-CD1 3.59Å; F583-F586 HydrophobicContact CZ-CD1 3.59Å; F583-F586 HydrophobicContact CZ-CD2 4.18Å; F583-F586 AromaticContact CZ-CE1 3.57Å; F583-F586 HydrophobicContact CZ-CE1 3.57Å; F583-F586 HydrophobicContact CZ-CE2 4.17Å; F583-F586 AromaticContact CZ-CG 3.9Å; F583-F586 HydrophobicContact CZ-CG 3.9Å; F583-F586 AromaticContact CZ-CZ 3.87Å; F583-F586 HydrophobicContact CZ-CZ 3.87Å; F586-T588 PolarHBondContact O-N 3.28Å; F586-S589 PolarHBondContact O-N 2.79Å; F586-K590 WeakPolarHBondContact O-CB 3.43Å; F586-K590 PolarHBondContact O-N 3.22Å; F586-Q609 HydrophobicContact CE2-CB 4.2Å; F586-Q609 VanDerWaalsContact CE2-OE1 3.3Å; F586-Q609 HydrophobicContact CZ-CB 4.05Å; F586-Q609 HydrophobicContact CZ-CG 4.38Å; F586-E616 HydrophobicContact CB-CB 4.01Å; F586-E616 HydrophobicContact CD2-CB 3.59Å; F586-E616 HydrophobicContact CE2-CB 4.28Å; F586-E616 HydrophobicContact CG-CB 3.89Å; F586-F617 HydrophobicContact CE1-CB 4.14Å; F586-F617 AromaticContact CE1-CD2 3.69Å; F586-F617 HydrophobicContact CE1-CD2 3.69Å; F586-F617 HydrophobicContact CE1-CE2 4.32Å; F586-F617 HydrophobicContact CE1-CG 4.04Å; F586-F617 HydrophobicContact CE2-CB 4.15Å; F586-F617 HydrophobicContact CE2-CG 4.48Å; F586-F617 HydrophobicContact CZ-CB 3.6Å; F586-F617 HydrophobicContact CZ-CD1 4.14Å; F586-F617 AromaticContact CZ-CD2 3.66Å; F586-F617 HydrophobicContact CZ-CD2 3.66Å; F586-F617 HydrophobicContact CZ-CE2 4.33Å; F586-F617 AromaticContact CZ-CG 3.55Å; F586-F617 HydrophobicContact CZ-CG 3.55Å; F586-Y620 AromaticContact CD1-CD2 3.94Å; F586-Y620 HydrophobicContact CD1-CD2 3.94Å; F586-Y620 AromaticContact CD1-CG 3.89Å; F586-Y620 HydrophobicContact CD1-CG 3.89Å; F586-Y620 HydrophobicContact CE1-CD1 4.43Å; F586-Y620 HydrophobicContact CE1-CD2 4.31Å; F586-Y620 AromaticContact CE1-CG 3.96Å; F586-Y620 HydrophobicContact CE1-CG 3.96Å
587	E	95.4	Very high	95.4	Very high	133 Å²	133	62.4 Å²	62.4	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-62.5	-43.7	179.4	-168.1	65	-172.3	0	0	111.8	C585 K590 K591	C585-E587 VanDerWaalsContact C-N 3.29Å; C585-E587 PolarHBondContact O-N 2.94Å; E587-K590 PolarHBondContact O-N 2.99Å; E587-K591 WeakPolarHBondContact O-CB 3.32Å; E587-K591 PolarHBondContact O-N 3.16Å
588	T	94.4	Very high	95.4	Very high	58 Å²	58	62.1 Å²	62.1	36%	0.356	29%	0.292	S	S	.	.	H	α-helix	trans	-65.8	-43.8	175.6	-67.9	0	0	0	0	111.8	C585 F586 K590 K591 I592	C585-T588 PolarHBondContact O-N 3.44Å; C585-T588 PolarHBondContact SG-OG1 2.85Å; C585-T588 VanDerWaalsContact SG-OG1 3.37Å; F586-T588 PolarHBondContact O-N 3.28Å; T588-K590 VanDerWaalsContact C-N 3.34Å; T588-K590 PolarHBondContact O-N 3.32Å; T588-K591 PolarHBondContact O-N 3.46Å; T588-I592 HydrophobicContact CG2-CD1 3.81Å; T588-I592 VanDerWaalsContact O-CG1 3.29Å; T588-I592 WeakPolarHBondContact O-CG1 3.49Å; T588-I592 PolarHBondContact O-N 3.07Å
589	S	94.2	Very high	95.4	Very high	14 Å²	14	62.1 Å²	62.1	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-42.7	175.6	-65.4	0	0	0	0	112.3	C585 F586 I592 N593	C585-S589 PolarHBondContact O-N 2.97Å; C585-S589 VanDerWaalsContact O-N 3.16Å; C585-S589 PolarHBondContact O-OG 3.42Å; F586-S589 PolarHBondContact O-N 2.79Å; S589-I592 PolarHBondContact O-N 3.16Å; S589-N593 PolarHBondContact O-N 3.01Å
590	K	94	Very high	95.4	Very high	144 Å²	144	63.7 Å²	63.7	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-65.2	-39.4	176.1	-176.1	-179.6	179.1	-175.3	0	112.5	F586 E587 T588 N593	F586-K590 WeakPolarHBondContact O-CB 3.43Å; F586-K590 PolarHBondContact O-N 3.22Å; E587-K590 PolarHBondContact O-N 2.99Å; T588-K590 VanDerWaalsContact C-N 3.34Å; T588-K590 PolarHBondContact O-N 3.32Å; K590-N593 PolarHBondContact O-N 2.84Å
591	K	95.3	Very high	95.5	Very high	188 Å²	188	63 Å²	63	82%	0.817	30%	0.298	S	S	*	.	H	α-helix	trans	-67.6	-36.2	174.5	-174.6	179.7	177.9	-175.5	0	112.7	E587 T588	E587-K591 WeakPolarHBondContact O-CB 3.32Å; E587-K591 PolarHBondContact O-N 3.16Å; T588-K591 PolarHBondContact O-N 3.46Å
592	I	94.9	Very high	95.6	Very high	72 Å²	72	61 Å²	61	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-71.3	-33.6	175	-69.6	166.5	0	0	0	111.3	T588 S589 R594	T588-I592 HydrophobicContact CG2-CD1 3.81Å; T588-I592 VanDerWaalsContact O-CG1 3.29Å; T588-I592 WeakPolarHBondContact O-CG1 3.49Å; T588-I592 PolarHBondContact O-N 3.07Å; S589-I592 PolarHBondContact O-N 3.16Å; I592-R594 HydrophobicContact CG2-CB 4.14Å; I592-R594 HydrophobicContact CG2-CG 3.93Å; I592-R594 PolarHBondContact O-N 3.34Å
593	N	95.4	Very high	95.7	Very high	64 Å²	64	54.3 Å²	54.3	34%	0.342	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	42.2	171.7	-164.5	21.6	0	0	0	114.7	A450 G451 S589 K590	A450-N593 CarbonylContact C-O 3.57Å; A450-N593 VanDerWaalsContact CA-O 3.29Å; A450-N593 WeakPolarHBondContact CA-O 3.33Å; G451-N593 PolarHBondContact N-O 2.84Å; S589-N593 PolarHBondContact O-N 3.01Å; K590-N593 PolarHBondContact O-N 2.84Å
594	R	96.8	Very high	95.7	Very high	89 Å²	89	55.1 Å²	55.1	34%	0.336	27%	0.265	S	S	.	.			trans	-112.2	101.9	179	-73.7	175.4	179.6	-178.6	2.6	111	A450 I592 F596 H597 Q624	A450-R594 HydrophobicContact CB-CG 4.33Å; I592-R594 HydrophobicContact CG2-CB 4.14Å; I592-R594 HydrophobicContact CG2-CG 3.93Å; I592-R594 PolarHBondContact O-N 3.34Å; R594-F596 HydrophobicContact CB-CD1 4.15Å; R594-F596 HydrophobicContact CB-CE1 3.74Å; R594-F596 HydrophobicContact CB-CZ 4.02Å; R594-F596 HydrophobicContact CG-CE1 3.75Å; R594-F596 HydrophobicContact CG-CZ 3.87Å; R594-F596 PolarHBondContact O-N 3.49Å; R594-F596 VanDerWaalsContact O-N 3.15Å; R594-H597 HydrophobicContact CB-CB 4.29Å; R594-H597 VanDerWaalsContact CD-NE2 3.32Å; R594-H597 WeakPolarHBondContact CD-NE2 3.32Å; R594-H597 PolarHBondContact NH1-NE2 3.34Å; R594-H597 WeakPolarHBondContact O-CB 3.22Å; R594-H597 PolarHBondContact O-N 2.84Å; R594-Q624 PolarHBondContact O-NE2 3.25Å
595	S	96.4	Very high	95.9	Very high	5 Å²	5	50.6 Å²	50.6	4%	0.035	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	-177.5	-47.7	0	0	0	0	114	V452 L623	V452-S595 WeakPolarHBondContact O-CB 3.33Å; V452-S595 PolarHBondContact O-OG 2.72Å; S595-L623 VanDerWaalsContact CB-O 3.25Å; S595-L623 WeakPolarHBondContact CB-O 3.31Å
596	F	96.7	Very high	96	Very high	13 Å²	13	48.1 Å²	48.1	6%	0.057	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.3	176.8	65	-88.8	0	0	0	114.6	L448 L454 Y577 Q579 R594	L448-F596 HydrophobicContact CB-CD1 4.25Å; L448-F596 HydrophobicContact CB-CE1 3.97Å; L448-F596 HydrophobicContact CB-CE2 4.24Å; L448-F596 HydrophobicContact CB-CZ 3.95Å; L448-F596 HydrophobicContact CD2-CB 4.05Å; L448-F596 HydrophobicContact CD2-CD1 4.14Å; L448-F596 HydrophobicContact CD2-CD2 4.22Å; L448-F596 HydrophobicContact CD2-CG 3.88Å; L448-F596 WeakPolarHBondContact O-CE1 3.35Å; L448-F596 WeakPolarHBondContact O-CZ 3.3Å; L454-F596 HydrophobicContact CD2-CB 4.47Å; Y577-F596 HydrophobicContact CD1-CB 4.49Å; Y577-F596 VanDerWaalsContact O-CA 3.3Å; Y577-F596 WeakPolarHBondContact O-CA 3.48Å; Q579-F596 HydrophobicContact CB-CD2 4.42Å; Q579-F596 WeakPolarHBondContact CB-O 3.11Å; Q579-F596 PolarHBondContact N-O 2.9Å; R594-F596 HydrophobicContact CB-CD1 4.15Å; R594-F596 HydrophobicContact CB-CE1 3.74Å; R594-F596 HydrophobicContact CB-CZ 4.02Å; R594-F596 HydrophobicContact CG-CE1 3.75Å; R594-F596 HydrophobicContact CG-CZ 3.87Å; R594-F596 PolarHBondContact O-N 3.49Å; R594-F596 VanDerWaalsContact O-N 3.15Å
597	H	97.6	Very high	96.1	Very high	17 Å²	17	51 Å²	51	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.1	164.5	-74.3	-161.1	0	0	0	108.6	Q579 V581 R594 Q624	Q579-H597 WeakPolarHBondContact O-CA 3.24Å; V581-H597 HydrophobicContact CG1-CB 4.39Å; V581-H597 HydrophobicContact CG2-CB 3.97Å; R594-H597 HydrophobicContact CB-CB 4.29Å; R594-H597 VanDerWaalsContact CD-NE2 3.32Å; R594-H597 WeakPolarHBondContact CD-NE2 3.32Å; R594-H597 PolarHBondContact NH1-NE2 3.34Å; R594-H597 WeakPolarHBondContact O-CB 3.22Å; R594-H597 PolarHBondContact O-N 2.84Å; H597-Q624 WeakPolarHBondContact O-CG 3.25Å; H597-Q624 PolarHBondContact O-NE2 3.01Å
598	M	97.6	Very high	96.1	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160	177.2	70.4	81.9	64.8	0	0	110.8	K467 I578 Q579 P580 V581 L625 R627 L652	K467-M598 HydrophobicContact CG-SD 4.32Å; I578-M598 HydrophobicContact CG2-CE 4.45Å; I578-M598 HydrophobicContact CG2-CG 3.86Å; I578-M598 HydrophobicContact CG2-SD 4.48Å; Q579-M598 PolarHBondContact O-N 3.49Å; P580-M598 CarbonylContact C-O 3.44Å; P580-M598 WeakPolarHBondContact CA-O 3.14Å; P580-M598 HydrophobicContact CB-SD 3.97Å; V581-M598 PolarHBondContact N-O 2.65Å; M598-L625 WeakPolarHBondContact CA-O 3.16Å; M598-L625 HydrophobicContact CB-CB 3.85Å; M598-L625 VanDerWaalsContact CB-O 3.27Å; M598-L625 WeakPolarHBondContact CB-O 3.4Å; M598-R627 HydrophobicContact CE-CB 3.83Å; M598-L652 HydrophobicContact CE-CD1 4.05Å
599	S	97.8	Very high	96.2	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.8	176.5	-66.6	0	0	0	0	111.7	V581 Y620 L625 S626 R627	V581-S599 PolarHBondContact O-OG 3.06Å; S599-Y620 PolarHBondContact N-OH 3.28Å; S599-L625 PolarHBondContact N-O 3.34Å; S599-S626 WeakPolarHBondContact O-CA 3.3Å; S599-R627 PolarHBondContact O-N 3.36Å
600	S	97.4	Very high	96.3	Very high	39 Å²	39	47 Å²	47	27%	0.273	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	135	173.6	-59.8	0	0	0	0	109.4	R627	S600-R627 CarbonylContact C-O 3.57Å; S600-R627 WeakPolarHBondContact CA-O 3.16Å
601	F	97.4	Very high	96.3	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.035	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.6	-174.6	-57	-99.5	0	0	0	109.8	F583 A606 R627 I628 Y629	F583-F601 HydrophobicContact CB-CE1 3.95Å; F583-F601 HydrophobicContact CB-CZ 4.11Å; F583-F601 AromaticContact CD1-CE1 3.76Å; F583-F601 HydrophobicContact CD1-CE1 3.76Å; F583-F601 HydrophobicContact CD1-CZ 4.28Å; F583-F601 AromaticContact CD2-CE1 3.98Å; F583-F601 HydrophobicContact CD2-CE1 3.98Å; F583-F601 AromaticContact CD2-CZ 3.63Å; F583-F601 HydrophobicContact CD2-CZ 3.63Å; F583-F601 HydrophobicContact CE1-CE1 4.19Å; F583-F601 HydrophobicContact CE2-CE1 4.39Å; F583-F601 HydrophobicContact CE2-CZ 4.03Å; F583-F601 AromaticContact CG-CE1 3.62Å; F583-F601 HydrophobicContact CG-CE1 3.62Å; F583-F601 AromaticContact CG-CZ 3.75Å; F583-F601 HydrophobicContact CG-CZ 3.75Å; F583-F601 HydrophobicContact CZ-CE1 4.48Å; F601-A606 HydrophobicContact CB-CB 3.93Å; F601-R627 PolarHBondContact N-O 3.29Å; F601-I628 HydrophobicContact CB-CD1 4.14Å; F601-I628 HydrophobicContact CD2-CD1 4.15Å; F601-I628 HydrophobicContact CG-CD1 4.49Å; F601-I628 WeakPolarHBondContact O-CA 3.17Å; F601-Y629 VanDerWaalsContact O-CD1 3.22Å; F601-Y629 WeakPolarHBondContact O-CD1 3.42Å; F601-Y629 PolarHBondContact O-N 3.38Å
602	V	96.9	Very high	96.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	148.6	164.7	62.7	0	0	0	0	109.8	E558 T604 K605 A606 Y629 K631	E558-V602 HydrophobicContact CG-CB 4.14Å; E558-V602 HydrophobicContact CG-CG1 3.7Å; V602-T604 PolarHBondContact O-N 3.05Å; V602-K605 HydrophobicContact CG1-CB 3.99Å; V602-K605 HydrophobicContact CG1-CD 4.05Å; V602-K605 HydrophobicContact CG1-CG 3.77Å; V602-K605 PolarHBondContact O-N 3.01Å; V602-K605 VanDerWaalsContact O-N 3.12Å; V602-A606 WeakPolarHBondContact O-CB 3.2Å; V602-A606 PolarHBondContact O-N 2.94Å; V602-Y629 CarbonylContact C-O 3.51Å; V602-Y629 HydrophobicContact CB-CE1 4.35Å; V602-Y629 HydrophobicContact CB-CE2 3.9Å; V602-Y629 HydrophobicContact CG2-CE2 4.2Å; V602-Y629 VanDerWaalsContact N-CE1 3.33Å; V602-K631 HydrophobicContact CG2-CB 3.57Å
603	E	95.3	Very high	96.3	Very high	21 Å²	21	40.6 Å²	40.6	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-51.4	-30.9	-173.7	77.1	-176.2	-125.4	0	0	114.3	L607 Y629 P630 K631 R634 Y640	E603-L607 WeakPolarHBondContact O-CB 3.13Å; E603-L607 PolarHBondContact O-N 3.35Å; E603-Y629 PolarHBondContact N-O 3.45Å; E603-P630 WeakPolarHBondContact OE2-CA 3.29Å; E603-K631 HydrophobicContact CG-CB 4.02Å; E603-K631 HydrophobicContact CG-CD 3.99Å; E603-K631 HydrophobicContact CG-CG 3.95Å; E603-K631 PolarHBondContact OE2-N 3.12Å; E603-K631 VanDerWaalsContact OE2-N 3.16Å; E603-R634 VanDerWaalsContact CD-NE 3.32Å; E603-R634 IonicContact OE1-CZ 3.71Å; E603-R634 IonicContact OE1-NE 3.95Å; E603-R634 PolarHBondContact OE1-NE 3.46Å; E603-R634 VanDerWaalsContact OE1-NE 3.13Å; E603-R634 IonicContact OE1-NH2 2.73Å; E603-R634 PolarHBondContact OE1-NH2 3.46Å; E603-R634 WeakPolarHBondContact OE2-CD 3.36Å; E603-R634 IonicContact OE2-CZ 3.15Å; E603-R634 IonicContact OE2-NE 2.73Å; E603-R634 PolarHBondContact OE2-NE 3.44Å; E603-R634 IonicContact OE2-NH2 2.74Å; E603-Y640 HydrophobicContact CB-CD1 4.09Å; E603-Y640 HydrophobicContact CB-CG 4.4Å; E603-Y640 WeakPolarHBondContact OE2-CD1 3.33Å
604	T	95	Very high	96.3	Very high	52 Å²	52	38.7 Å²	38.7	32%	0.319	20%	0.197	S	C	.	.	H	α-helix	trans	-72.3	-51.6	178.9	36.8	0	0	0	0	112.2	D557 V602 A606 L607 E608 K631	D557-T604 WeakPolarHBondContact OD2-CG2 3.49Å; D557-T604 PolarHBondContact OD2-OG1 3.45Å; V602-T604 PolarHBondContact O-N 3.05Å; T604-A606 VanDerWaalsContact C-N 3.28Å; T604-A606 PolarHBondContact O-N 2.78Å; T604-L607 PolarHBondContact O-N 2.74Å; T604-E608 WeakPolarHBondContact O-CB 3.38Å; T604-E608 PolarHBondContact O-N 2.79Å; T604-K631 HydrophobicContact CG2-CD 3.85Å
605	K	95.6	Very high	96.3	Very high	70 Å²	70	36.2 Å²	36.2	30%	0.304	19%	0.191	S	C	.	.	H	α-helix	trans	-61.7	-37.3	173	-66.9	-174.3	-175.7	176.2	0	111.6	E558 V602 E608 Q609	E558-K605 WeakPolarHBondContact OE1-CE 3.39Å; E558-K605 IonicContact OE1-NZ 3.57Å; E558-K605 PolarHBondContact OE1-NZ 2.93Å; E558-K605 IonicContact OE2-NZ 2.84Å; E558-K605 PolarHBondContact OE2-NZ 2.73Å; V602-K605 HydrophobicContact CG1-CB 3.99Å; V602-K605 HydrophobicContact CG1-CD 4.05Å; V602-K605 HydrophobicContact CG1-CG 3.77Å; V602-K605 PolarHBondContact O-N 3.01Å; V602-K605 VanDerWaalsContact O-N 3.12Å; K605-E608 PolarHBondContact O-N 3.09Å; K605-Q609 WeakPolarHBondContact O-CG 3.43Å; K605-Q609 PolarHBondContact O-N 2.78Å
606	A	96.6	Very high	96.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-43.1	175.2	0	0	0	0	0	112.5	F601 V602 T604 E608 Q609 L610 I628 F645	F601-A606 HydrophobicContact CB-CB 3.93Å; V602-A606 WeakPolarHBondContact O-CB 3.2Å; V602-A606 PolarHBondContact O-N 2.94Å; T604-A606 VanDerWaalsContact C-N 3.28Å; T604-A606 PolarHBondContact O-N 2.78Å; A606-E608 VanDerWaalsContact C-N 3.35Å; A606-Q609 PolarHBondContact O-N 2.75Å; A606-L610 WeakPolarHBondContact O-CB 3.27Å; A606-L610 PolarHBondContact O-N 3.39Å; A606-I628 HydrophobicContact CB-CD1 3.84Å; A606-I628 HydrophobicContact CB-CG2 3.75Å; A606-F645 HydrophobicContact CB-CD1 4.07Å; A606-F645 HydrophobicContact CB-CE1 3.45Å; A606-F645 VanDerWaalsContact CB-CE1 3.45Å; A606-F645 HydrophobicContact CB-CZ 3.85Å
607	L	96.4	Very high	96.4	Very high	79 Å²	79	39.7 Å²	39.7	41%	0.414	21%	0.207	S	C	.	.	H	α-helix	trans	-68.6	-34.3	177.4	-178.5	60.5	0	0	0	112	E603 T604 L610 T611 F645	E603-L607 WeakPolarHBondContact O-CB 3.13Å; E603-L607 PolarHBondContact O-N 3.35Å; T604-L607 PolarHBondContact O-N 2.74Å; L607-L610 HydrophobicContact CD1-CD2 4.14Å; L607-L610 PolarHBondContact O-N 3.06Å; L607-T611 HydrophobicContact CD1-CG2 4.3Å; L607-T611 WeakPolarHBondContact O-CB 3.34Å; L607-T611 WeakPolarHBondContact O-CG2 3.44Å; L607-T611 PolarHBondContact O-N 3.22Å; L607-T611 PolarHBondContact O-OG1 3.39Å; L607-F645 HydrophobicContact CB-CZ 4.44Å
608	E	96.3	Very high	96.4	Very high	79 Å²	79	39 Å²	39	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-50.1	172.1	-174.7	-174.9	-179.4	0	0	111.6	T604 K605 A606 L610 T611 K612	T604-E608 WeakPolarHBondContact O-CB 3.38Å; T604-E608 PolarHBondContact O-N 2.79Å; K605-E608 PolarHBondContact O-N 3.09Å; A606-E608 VanDerWaalsContact C-N 3.35Å; E608-L610 VanDerWaalsContact C-N 3.34Å; E608-L610 PolarHBondContact O-N 2.73Å; E608-T611 PolarHBondContact O-N 2.88Å; E608-T611 VanDerWaalsContact O-N 3.14Å; E608-T611 PolarHBondContact O-OG1 3.2Å; E608-T611 VanDerWaalsContact O-OG1 3.13Å; E608-K612 HydrophobicContact CG-CD 3.92Å; E608-K612 HydrophobicContact CG-CG 4.43Å; E608-K612 WeakPolarHBondContact O-CB 3.36Å; E608-K612 WeakPolarHBondContact O-CG 3.45Å; E608-K612 PolarHBondContact O-N 2.93Å; E608-K612 WeakPolarHBondContact OE1-CE 3.48Å; E608-K612 IonicContact OE1-NZ 3.41Å; E608-K612 PolarHBondContact OE1-NZ 3.42Å
609	Q	96.6	Very high	96.3	Very high	39 Å²	39	40.9 Å²	40.9	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-41.6	175.7	-63.8	-57.9	-40	0	0	111.9	F583 F586 K605 A606 T611 K612 S613 F617	F583-Q609 HydrophobicContact CE1-CG 4.45Å; F586-Q609 HydrophobicContact CE2-CB 4.2Å; F586-Q609 VanDerWaalsContact CE2-OE1 3.3Å; F586-Q609 HydrophobicContact CZ-CB 4.05Å; F586-Q609 HydrophobicContact CZ-CG 4.38Å; K605-Q609 WeakPolarHBondContact O-CG 3.43Å; K605-Q609 PolarHBondContact O-N 2.78Å; A606-Q609 PolarHBondContact O-N 2.75Å; Q609-T611 PolarHBondContact O-N 3.33Å; Q609-K612 PolarHBondContact O-N 2.89Å; Q609-S613 CarbonylContact O-C 3.5Å; Q609-S613 PolarHBondContact O-N 3.11Å; Q609-F617 HydrophobicContact CB-CD1 4Å; Q609-F617 HydrophobicContact CB-CE1 3.96Å
610	L	95.8	Very high	96.3	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-29.1	175	173.8	63.6	0	0	0	113.2	A606 L607 E608 P614 F617 L644 F645 A648 F696	A606-L610 WeakPolarHBondContact O-CB 3.27Å; A606-L610 PolarHBondContact O-N 3.39Å; L607-L610 HydrophobicContact CD1-CD2 4.14Å; L607-L610 PolarHBondContact O-N 3.06Å; E608-L610 VanDerWaalsContact C-N 3.34Å; E608-L610 PolarHBondContact O-N 2.73Å; L610-P614 WeakPolarHBondContact O-CB 3.45Å; L610-F617 HydrophobicContact CB-CD1 4.43Å; L610-L644 HydrophobicContact CD2-CB 4.25Å; L610-L644 WeakPolarHBondContact CD2-O 3.34Å; L610-F645 HydrophobicContact CD2-CD1 4.36Å; L610-F645 HydrophobicContact CD2-CE1 4.28Å; L610-A648 HydrophobicContact CD1-CB 4Å; L610-F696 HydrophobicContact CD1-CE2 3.87Å; L610-F696 HydrophobicContact CD1-CZ 4.19Å; L610-F696 HydrophobicContact CG-CE2 4.23Å; L610-F696 HydrophobicContact CG-CZ 4.17Å; L610-F696 WeakPolarHBondContact O-CE2 3.42Å
611	T	93.8	Very high	96.4	Very high	92 Å²	92	39.6 Å²	39.6	56%	0.564	20%	0.202	S	C	*	.	H	α-helix	trans	-97.2	-24.4	-178.3	48	0	0	0	0	113.9	L607 E608 Q609	L607-T611 HydrophobicContact CD1-CG2 4.3Å; L607-T611 WeakPolarHBondContact O-CB 3.34Å; L607-T611 WeakPolarHBondContact O-CG2 3.44Å; L607-T611 PolarHBondContact O-N 3.22Å; L607-T611 PolarHBondContact O-OG1 3.39Å; E608-T611 PolarHBondContact O-N 2.88Å; E608-T611 VanDerWaalsContact O-N 3.14Å; E608-T611 PolarHBondContact O-OG1 3.2Å; E608-T611 VanDerWaalsContact O-OG1 3.13Å; Q609-T611 PolarHBondContact O-N 3.33Å
612	K	95.2	Very high	96.4	Very high	141 Å²	141	39.5 Å²	39.5	61%	0.613	20%	0.201	S	C	*	.	H	α-helix	trans	-88	-38.8	175.1	-71.1	-176.7	175.5	177.1	0	113.6	E608 Q609	E608-K612 HydrophobicContact CG-CD 3.92Å; E608-K612 HydrophobicContact CG-CG 4.43Å; E608-K612 WeakPolarHBondContact O-CB 3.36Å; E608-K612 WeakPolarHBondContact O-CG 3.45Å; E608-K612 PolarHBondContact O-N 2.93Å; E608-K612 WeakPolarHBondContact OE1-CE 3.48Å; E608-K612 IonicContact OE1-NZ 3.41Å; E608-K612 PolarHBondContact OE1-NZ 3.42Å; Q609-K612 PolarHBondContact O-N 2.89Å
613	S	95.9	Very high	96.3	Very high	36 Å²	36	43.2 Å²	43.2	25%	0.252	22%	0.221	S	C	.	.			trans	-146.8	62.9	-169.8	-57.1	0	0	0	0	112.1	Q609 E616 F617	Q609-S613 CarbonylContact O-C 3.5Å; Q609-S613 PolarHBondContact O-N 3.11Å; S613-E616 WeakPolarHBondContact CA-OE2 3.48Å; S613-E616 VanDerWaalsContact CB-OE2 3.31Å; S613-E616 WeakPolarHBondContact CB-OE2 3.18Å; S613-F617 PolarHBondContact O-N 2.88Å; S613-F617 VanDerWaalsContact O-N 3.15Å
614	P	95.3	Very high	96.5	Very high	24 Å²	24	42.6 Å²	42.6	16%	0.156	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-37.6	-172.7	23.8	-33	0	0	0	114.2	L610 V618 P695 F696	L610-P614 WeakPolarHBondContact O-CB 3.45Å; P614-V618 WeakPolarHBondContact O-CG2 3.29Å; P614-V618 PolarHBondContact O-N 3.24Å; P614-P695 HydrophobicContact CB-CG 3.82Å; P614-F696 HydrophobicContact CB-CD2 3.9Å; P614-F696 HydrophobicContact CB-CE2 3.9Å; P614-F696 HydrophobicContact CG-CD2 4.13Å; P614-F696 HydrophobicContact CG-CE2 4.39Å
615	V	95.9	Very high	96.6	Very high	36 Å²	36	40.2 Å²	40.2	22%	0.218	20%	0.203	C	C	.	.	H	α-helix	trans	-71.8	-43.9	-177.9	-179.2	0	0	0	0	109.5	F617 V618 E619 D694	V615-F617 VanDerWaalsContact C-N 3.25Å; V615-F617 PolarHBondContact O-N 3.46Å; V615-V618 WeakPolarHBondContact O-CB 3.44Å; V615-V618 PolarHBondContact O-N 2.93Å; V615-V618 VanDerWaalsContact O-N 3.07Å; V615-E619 WeakPolarHBondContact O-CG 3.44Å; V615-E619 PolarHBondContact O-N 2.86Å; V615-D694 HydrophobicContact CG2-CB 3.98Å
616	E	97.3	Very high	96.8	Very high	92 Å²	92	36.9 Å²	36.9	43%	0.43	19%	0.189	S	C	.	.	H	α-helix	trans	-60	-36.7	177.2	-61.1	72.5	-163.7	0	0	111.5	F586 S613 E619 Y620	F586-E616 HydrophobicContact CB-CB 4.01Å; F586-E616 HydrophobicContact CD2-CB 3.59Å; F586-E616 HydrophobicContact CE2-CB 4.28Å; F586-E616 HydrophobicContact CG-CB 3.89Å; S613-E616 WeakPolarHBondContact CA-OE2 3.48Å; S613-E616 VanDerWaalsContact CB-OE2 3.31Å; S613-E616 WeakPolarHBondContact CB-OE2 3.18Å; E616-E619 PolarHBondContact O-N 2.74Å; E616-Y620 WeakPolarHBondContact O-CB 3.47Å; E616-Y620 PolarHBondContact O-N 3.25Å
617	F	98.1	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68	-39.1	174.8	-154.3	172.6	0	0	0	111.9	F586 Q609 L610 S613 V615 Y620 N621 I628 A648	F586-F617 HydrophobicContact CE1-CB 4.14Å; F586-F617 AromaticContact CE1-CD2 3.69Å; F586-F617 HydrophobicContact CE1-CD2 3.69Å; F586-F617 HydrophobicContact CE1-CE2 4.32Å; F586-F617 HydrophobicContact CE1-CG 4.04Å; F586-F617 HydrophobicContact CE2-CB 4.15Å; F586-F617 HydrophobicContact CE2-CG 4.48Å; F586-F617 HydrophobicContact CZ-CB 3.6Å; F586-F617 HydrophobicContact CZ-CD1 4.14Å; F586-F617 AromaticContact CZ-CD2 3.66Å; F586-F617 HydrophobicContact CZ-CD2 3.66Å; F586-F617 HydrophobicContact CZ-CE2 4.33Å; F586-F617 AromaticContact CZ-CG 3.55Å; F586-F617 HydrophobicContact CZ-CG 3.55Å; Q609-F617 HydrophobicContact CB-CD1 4Å; Q609-F617 HydrophobicContact CB-CE1 3.96Å; L610-F617 HydrophobicContact CB-CD1 4.43Å; S613-F617 PolarHBondContact O-N 2.88Å; S613-F617 VanDerWaalsContact O-N 3.15Å; V615-F617 VanDerWaalsContact C-N 3.25Å; V615-F617 PolarHBondContact O-N 3.46Å; F617-Y620 HydrophobicContact CD2-CD1 4.39Å; F617-N621 WeakPolarHBondContact CD2-ND2 3.28Å; F617-N621 WeakPolarHBondContact O-CB 3.42Å; F617-N621 PolarHBondContact O-N 3.09Å; F617-N621 PolarHBondContact O-ND2 3.04Å; F617-I628 HydrophobicContact CZ-CD1 4.23Å; F617-A648 HydrophobicContact CB-CB 4.45Å; F617-A648 HydrophobicContact CD1-CB 4.07Å; F617-A648 HydrophobicContact CG-CB 4.18Å
618	V	97.4	Very high	97	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-44.3	172.2	173.8	0	0	0	0	111.2	P614 V615 N621 K622 A648 F693 P695	P614-V618 WeakPolarHBondContact O-CG2 3.29Å; P614-V618 PolarHBondContact O-N 3.24Å; V615-V618 WeakPolarHBondContact O-CB 3.44Å; V615-V618 PolarHBondContact O-N 2.93Å; V615-V618 VanDerWaalsContact O-N 3.07Å; V618-N621 PolarHBondContact O-N 2.87Å; V618-K622 PolarHBondContact O-N 3.48Å; V618-A648 WeakPolarHBondContact CA-O 3.26Å; V618-F693 HydrophobicContact CG1-CB 4.39Å; V618-F693 HydrophobicContact CG1-CD1 4.33Å; V618-F693 HydrophobicContact CG2-CD1 4.28Å; V618-P695 HydrophobicContact CG2-CG 4.41Å
619	E	97.2	Very high	97.1	Very high	42 Å²	42	30.5 Å²	30.5	20%	0.196	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-44.9	177.3	-64.2	-50.3	134.4	0	0	112.2	V615 E616 N621 K622	V615-E619 WeakPolarHBondContact O-CG 3.44Å; V615-E619 PolarHBondContact O-N 2.86Å; E616-E619 PolarHBondContact O-N 2.74Å; E619-N621 VanDerWaalsContact C-N 3.3Å; E619-N621 PolarHBondContact O-N 3.38Å; E619-K622 WeakPolarHBondContact O-CB 3.45Å; E619-K622 PolarHBondContact O-N 3.12Å; E619-K622 VanDerWaalsContact O-N 3.12Å; E619-K622 WeakPolarHBondContact OE1-CE 3.31Å; E619-K622 IonicContact OE1-NZ 3.37Å; E619-K622 PolarHBondContact OE1-NZ 2.83Å; E619-K622 WeakPolarHBondContact OE2-CD 3.35Å; E619-K622 WeakPolarHBondContact OE2-CE 3.46Å; E619-K622 IonicContact OE2-NZ 3.6Å; E619-K622 PolarHBondContact OE2-NZ 2.97Å
620	Y	97.8	Very high	97.1	Very high	14 Å²	14	28.8 Å²	28.8	6%	0.055	15%	0.148	C	C	.	.	H	α-helix	trans	-53.5	-48.2	172.5	171.7	-86.5	0	0	0	111.3	F583 F586 S599 E616 F617 K622 L623 Q624 L625	F583-Y620 HydrophobicContact CE2-CE2 4.39Å; F586-Y620 AromaticContact CD1-CD2 3.94Å; F586-Y620 HydrophobicContact CD1-CD2 3.94Å; F586-Y620 AromaticContact CD1-CG 3.89Å; F586-Y620 HydrophobicContact CD1-CG 3.89Å; F586-Y620 HydrophobicContact CE1-CD1 4.43Å; F586-Y620 HydrophobicContact CE1-CD2 4.31Å; F586-Y620 AromaticContact CE1-CG 3.96Å; F586-Y620 HydrophobicContact CE1-CG 3.96Å; S599-Y620 PolarHBondContact N-OH 3.28Å; E616-Y620 WeakPolarHBondContact O-CB 3.47Å; E616-Y620 PolarHBondContact O-N 3.25Å; F617-Y620 HydrophobicContact CD2-CD1 4.39Å; Y620-K622 PolarHBondContact O-N 3.24Å; Y620-K622 VanDerWaalsContact O-N 3.12Å; Y620-L623 PolarHBondContact O-N 2.94Å; Y620-L623 VanDerWaalsContact O-N 3.13Å; Y620-Q624 HydrophobicContact CD1-CB 4.44Å; Y620-Q624 HydrophobicContact CD2-CB 4.3Å; Y620-Q624 VanDerWaalsContact CD2-OE1 3.28Å; Y620-Q624 HydrophobicContact CE1-CB 4Å; Y620-Q624 HydrophobicContact CE2-CB 3.89Å; Y620-Q624 HydrophobicContact CE2-CG 4.46Å; Y620-Q624 PolarHBondContact O-N 3.38Å; Y620-L625 PolarHBondContact OH-O 3.49Å
621	N	98.2	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-70.5	-2.8	-178.4	-75.4	-39.2	0	0	0	114.4	F617 V618 E619 S626 A648 C650 Q651 K682	F617-N621 WeakPolarHBondContact CD2-ND2 3.28Å; F617-N621 WeakPolarHBondContact O-CB 3.42Å; F617-N621 PolarHBondContact O-N 3.09Å; F617-N621 PolarHBondContact O-ND2 3.04Å; V618-N621 PolarHBondContact O-N 2.87Å; E619-N621 VanDerWaalsContact C-N 3.3Å; E619-N621 PolarHBondContact O-N 3.38Å; N621-S626 WeakPolarHBondContact OD1-CB 3.32Å; N621-S626 PolarHBondContact OD1-OG 3.44Å; N621-A648 PolarHBondContact ND2-O 3.46Å; N621-C650 PolarHBondContact ND2-N 3.46Å; N621-C650 PolarHBondContact ND2-SG 3.13Å; N621-Q651 PolarHBondContact O-NE2 3.18Å; N621-Q651 PolarHBondContact OD1-OE1 2.97Å; N621-K682 PolarHBondContact O-NZ 3.5Å
622	K	97.6	Very high	96.6	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.022	15%	0.151	C	C	.	.	H	α-helix	trans	-76.9	-40.6	167.6	-64.8	174.2	-172.2	175.6	0	111.3	S324 H325 V618 E619 Y620 R688 K691	S324-K622 VanDerWaalsContact CB-O 3.26Å; S324-K622 WeakPolarHBondContact CB-O 3.48Å; S324-K622 PolarHBondContact OG-O 3.14Å; H325-K622 PolarHBondContact CD2-O 2.73Å; V618-K622 PolarHBondContact O-N 3.48Å; E619-K622 WeakPolarHBondContact O-CB 3.45Å; E619-K622 PolarHBondContact O-N 3.12Å; E619-K622 VanDerWaalsContact O-N 3.12Å; E619-K622 WeakPolarHBondContact OE1-CE 3.31Å; E619-K622 IonicContact OE1-NZ 3.37Å; E619-K622 PolarHBondContact OE1-NZ 2.83Å; E619-K622 WeakPolarHBondContact OE2-CD 3.35Å; E619-K622 WeakPolarHBondContact OE2-CE 3.46Å; E619-K622 IonicContact OE2-NZ 3.6Å; E619-K622 PolarHBondContact OE2-NZ 2.97Å; Y620-K622 PolarHBondContact O-N 3.24Å; Y620-K622 VanDerWaalsContact O-N 3.12Å; K622-R688 WeakPolarHBondContact CE-O 3.25Å; K622-R688 PolarHBondContact NZ-O 2.86Å; K622-K691 PolarHBondContact NZ-O 2.83Å
623	L	96.1	Very high	96.2	Very high	79 Å²	79	25.8 Å²	25.8	41%	0.414	15%	0.146	S	C	.	.	H	α-helix	trans	-100.5	-37.9	-172.4	-58.7	178.7	0	0	0	113.1	S595 Y620	S595-L623 VanDerWaalsContact CB-O 3.25Å; S595-L623 WeakPolarHBondContact CB-O 3.31Å; Y620-L623 PolarHBondContact O-N 2.94Å; Y620-L623 VanDerWaalsContact O-N 3.13Å
624	Q	98.1	Very high	95.9	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.042	14%	0.143	C	C	.	.	S	Bend	trans	-116.9	165	-172.6	-70.4	175.4	-53.9	0	0	111.4	R594 H597 Y620 Q651	R594-Q624 PolarHBondContact O-NE2 3.25Å; H597-Q624 WeakPolarHBondContact O-CG 3.25Å; H597-Q624 PolarHBondContact O-NE2 3.01Å; Y620-Q624 HydrophobicContact CD1-CB 4.44Å; Y620-Q624 HydrophobicContact CD2-CB 4.3Å; Y620-Q624 VanDerWaalsContact CD2-OE1 3.28Å; Y620-Q624 HydrophobicContact CE1-CB 4Å; Y620-Q624 HydrophobicContact CE2-CB 3.89Å; Y620-Q624 HydrophobicContact CE2-CG 4.46Å; Y620-Q624 PolarHBondContact O-N 3.38Å; Q624-Q651 PolarHBondContact O-NE2 3.03Å
625	L	98.6	Very high	95.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.155	C	C	.	.			trans	-95.8	135.5	175.6	-65.9	170.3	0	0	0	110.9	L323 I328 L454 I578 M598 S599 Y620 Q651 L652	L323-L625 HydrophobicContact CD2-CD1 4.22Å; I328-L625 HydrophobicContact CD1-CD2 4.46Å; L454-L625 HydrophobicContact CD1-CD1 3.94Å; L454-L625 HydrophobicContact CD1-CD2 4.35Å; L454-L625 HydrophobicContact CD1-CG 3.76Å; I578-L625 HydrophobicContact CD1-CD1 3.58Å; M598-L625 WeakPolarHBondContact CA-O 3.16Å; M598-L625 HydrophobicContact CB-CB 3.85Å; M598-L625 VanDerWaalsContact CB-O 3.27Å; M598-L625 WeakPolarHBondContact CB-O 3.4Å; S599-L625 PolarHBondContact N-O 3.34Å; Y620-L625 PolarHBondContact OH-O 3.49Å; L625-Q651 HydrophobicContact CD2-CB 3.87Å; L625-Q651 HydrophobicContact CD2-CG 3.73Å; L625-L652 HydrophobicContact CB-CD1 4.42Å; L625-L652 HydrophobicContact CD1-CD1 4.46Å
626	S	98.6	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.8	162	54.7	0	0	0	0	110.9	S599 N621 C650 Q651 L652	S599-S626 WeakPolarHBondContact O-CA 3.3Å; N621-S626 WeakPolarHBondContact OD1-CB 3.32Å; N621-S626 PolarHBondContact OD1-OG 3.44Å; S626-C650 WeakPolarHBondContact OG-CA 3.44Å; S626-C650 VanDerWaalsContact OG-CB 3.25Å; S626-C650 WeakPolarHBondContact OG-CB 3.28Å; S626-C650 PolarHBondContact OG-SG 3.44Å; S626-Q651 PolarHBondContact OG-OE1 3.22Å; S626-L652 WeakPolarHBondContact O-CB 3.39Å; S626-L652 PolarHBondContact O-N 3.15Å
627	R	98.7	Very high	94.8	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.3	165.6	-177	179.1	-169.5	-107.9	-1.4	110	S331 E363 M598 S599 S600 F601 L652	S331-R627 PolarHBondContact O-NH2 2.89Å; E363-R627 IonicContact OE1-CZ 2.77Å; E363-R627 IonicContact OE1-NH1 3.85Å; E363-R627 PolarHBondContact OE1-NH1 3.45Å; E363-R627 IonicContact OE1-NH2 3.63Å; E363-R627 PolarHBondContact OE1-NH2 2.88Å; E363-R627 IonicContact OE2-CZ 2.67Å; E363-R627 IonicContact OE2-NH1 2.75Å; E363-R627 PolarHBondContact OE2-NH1 3.07Å; E363-R627 IonicContact OE2-NH2 3.81Å; E363-R627 PolarHBondContact OE2-NH2 3.32Å; M598-R627 HydrophobicContact CE-CB 3.83Å; S599-R627 PolarHBondContact O-N 3.36Å; S600-R627 CarbonylContact C-O 3.57Å; S600-R627 WeakPolarHBondContact CA-O 3.16Å; F601-R627 PolarHBondContact N-O 3.29Å; R627-L652 CarbonylContact C-O 3.58Å; R627-L652 VanDerWaalsContact CA-O 3.3Å; R627-L652 WeakPolarHBondContact CA-O 3.27Å; R627-L652 HydrophobicContact CB-CB 3.85Å; R627-L652 HydrophobicContact CB-CD1 4.34Å; R627-L652 HydrophobicContact CG-CB 3.97Å; R627-L652 WeakPolarHBondContact CG-O 3.42Å
628	I	98.7	Very high	94.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.1	175.1	-42.1	-55.7	0	0	0	108.3	F601 A606 F617 Y640 F645 C650 L652 V653 A654	F601-I628 HydrophobicContact CB-CD1 4.14Å; F601-I628 HydrophobicContact CD2-CD1 4.15Å; F601-I628 HydrophobicContact CG-CD1 4.49Å; F601-I628 WeakPolarHBondContact O-CA 3.17Å; A606-I628 HydrophobicContact CB-CD1 3.84Å; A606-I628 HydrophobicContact CB-CG2 3.75Å; F617-I628 HydrophobicContact CZ-CD1 4.23Å; I628-Y640 PolarHBondContact O-OH 3.18Å; I628-F645 HydrophobicContact CB-CD2 4.36Å; I628-F645 HydrophobicContact CB-CG 4.45Å; I628-F645 HydrophobicContact CG1-CB 3.99Å; I628-F645 HydrophobicContact CG1-CD1 4.33Å; I628-F645 HydrophobicContact CG1-CD2 4.38Å; I628-F645 HydrophobicContact CG1-CG 3.97Å; I628-F645 HydrophobicContact CG2-CD1 4.4Å; I628-F645 HydrophobicContact CG2-CD2 3.78Å; I628-F645 HydrophobicContact CG2-CE1 4.41Å; I628-F645 HydrophobicContact CG2-CE2 3.75Å; I628-F645 HydrophobicContact CG2-CG 4.1Å; I628-F645 HydrophobicContact CG2-CZ 4.08Å; I628-C650 HydrophobicContact CD1-CB 4.29Å; I628-C650 HydrophobicContact CG1-CB 4Å; I628-L652 PolarHBondContact N-O 3.04Å; I628-V653 HydrophobicContact CG1-CG2 4.39Å; I628-A654 WeakPolarHBondContact O-CA 3.4Å; I628-A654 VanDerWaalsContact O-CB 3.29Å; I628-A654 WeakPolarHBondContact O-CB 3.28Å; I628-A654 PolarHBondContact O-N 3.45Å
629	Y	97.8	Very high	94.6	Very high	18 Å²	18	28 Å²	28	7%	0.071	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.7	179.1	65.1	-86.3	0	0	0	112.4	A561 F601 V602 E603	A561-Y629 HydrophobicContact CB-CE2 4.44Å; F601-Y629 VanDerWaalsContact O-CD1 3.22Å; F601-Y629 WeakPolarHBondContact O-CD1 3.42Å; F601-Y629 PolarHBondContact O-N 3.38Å; V602-Y629 CarbonylContact C-O 3.51Å; V602-Y629 HydrophobicContact CB-CE1 4.35Å; V602-Y629 HydrophobicContact CB-CE2 3.9Å; V602-Y629 HydrophobicContact CG2-CE2 4.2Å; V602-Y629 VanDerWaalsContact N-CE1 3.33Å; E603-Y629 PolarHBondContact N-O 3.45Å
630	P	96.5	Very high	94.6	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.019	15%	0.148	C	C	.	.			trans	-67.6	147.8	-178.6	-10.5	26.1	0	0	0	111.5	H332 E603 Y640	H332-P630 HydrophobicContact CB-CG 4.24Å; E603-P630 WeakPolarHBondContact OE2-CA 3.29Å; P630-Y640 HydrophobicContact CB-CD1 4.11Å; P630-Y640 HydrophobicContact CB-CE1 4.2Å; P630-Y640 HydrophobicContact CG-CD1 4.18Å; P630-Y640 HydrophobicContact CG-CE1 3.84Å
631	K	93	Very high	94.5	Very high	53 Å²	53	27.5 Å²	27.5	23%	0.23	15%	0.154	C	C	.	.			trans	-74.8	150.4	178.8	63.3	-174.7	-174.7	121.8	0	114	D557 V602 E603 T604 T633 R634	D557-K631 WeakPolarHBondContact OD2-CD 3.36Å; V602-K631 HydrophobicContact CG2-CB 3.57Å; E603-K631 HydrophobicContact CG-CB 4.02Å; E603-K631 HydrophobicContact CG-CD 3.99Å; E603-K631 HydrophobicContact CG-CG 3.95Å; E603-K631 PolarHBondContact OE2-N 3.12Å; E603-K631 VanDerWaalsContact OE2-N 3.16Å; T604-K631 HydrophobicContact CG2-CD 3.85Å; K631-T633 WeakPolarHBondContact CE-OG1 3.34Å; K631-T633 WeakPolarHBondContact CG-OG1 3.49Å; K631-T633 PolarHBondContact NZ-OG1 3.16Å; K631-T633 PolarHBondContact O-N 3.09Å; K631-R634 HydrophobicContact CG-CG 4.21Å; K631-R634 WeakPolarHBondContact O-CB 3.36Å; K631-R634 PolarHBondContact O-N 3.22Å
632	G	87.1	Confident	94.5	Very high	41 Å²	41	27.5 Å²	27.5	42%	0.423	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.4	-176.9	0	0	0	0	0	115.4	D557 R634	D557-G632 PolarHBondContact O-N 3.44Å; G632-R634 PolarHBondContact O-N 3.5Å; G632-R634 VanDerWaalsContact O-N 3.13Å
633	T	86.1	Confident	94.5	Very high	80 Å²	80	27.5 Å²	27.5	49%	0.491	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.4	175.3	65	0	0	0	0	114.1	D557 K631 V635	D557-T633 WeakPolarHBondContact OD1-CG2 3.42Å; K631-T633 WeakPolarHBondContact CE-OG1 3.34Å; K631-T633 WeakPolarHBondContact CG-OG1 3.49Å; K631-T633 PolarHBondContact NZ-OG1 3.16Å; K631-T633 PolarHBondContact O-N 3.09Å; T633-V635 PolarHBondContact O-N 3.02Å
634	R	89.1	Confident	94.5	Very high	51 Å²	51	26.9 Å²	26.9	19%	0.192	15%	0.151	C	C	.	.			trans	-81.1	56.6	175.6	-64.9	-178.7	176.4	-82	0.3	111.7	Q341 E603 K631 G632 D636 S637 S638 N639	Q341-R634 WeakPolarHBondContact CG-O 3.34Å; E603-R634 VanDerWaalsContact CD-NE 3.32Å; E603-R634 IonicContact OE1-CZ 3.71Å; E603-R634 IonicContact OE1-NE 3.95Å; E603-R634 PolarHBondContact OE1-NE 3.46Å; E603-R634 VanDerWaalsContact OE1-NE 3.13Å; E603-R634 IonicContact OE1-NH2 2.73Å; E603-R634 PolarHBondContact OE1-NH2 3.46Å; E603-R634 WeakPolarHBondContact OE2-CD 3.36Å; E603-R634 IonicContact OE2-CZ 3.15Å; E603-R634 IonicContact OE2-NE 2.73Å; E603-R634 PolarHBondContact OE2-NE 3.44Å; E603-R634 IonicContact OE2-NH2 2.74Å; K631-R634 HydrophobicContact CG-CG 4.21Å; K631-R634 WeakPolarHBondContact O-CB 3.36Å; K631-R634 PolarHBondContact O-N 3.22Å; G632-R634 PolarHBondContact O-N 3.5Å; G632-R634 VanDerWaalsContact O-N 3.13Å; R634-D636 PolarHBondContact O-N 2.97Å; R634-S637 PolarHBondContact O-N 2.81Å; R634-S638 WeakPolarHBondContact CD-O 3.45Å; R634-S638 PolarHBondContact NH1-OG 2.81Å; R634-N639 PolarHBondContact NH1-O 3.02Å
635	V	86.8	Confident	94.5	Very high	68 Å²	68	26.6 Å²	26.6	41%	0.412	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.6	-176.4	-61.4	0	0	0	0	113.4	G340 Q341 L342 T633 S637	G340-V635 CarbonylContact C-O 3.52Å; G340-V635 VanDerWaalsContact CA-O 3.29Å; G340-V635 WeakPolarHBondContact CA-O 3.07Å; Q341-V635 PolarHBondContact N-O 2.84Å; L342-V635 HydrophobicContact CD1-CB 4.12Å; L342-V635 HydrophobicContact CD1-CG1 3.95Å; L342-V635 HydrophobicContact CD2-CG1 4.49Å; L342-V635 HydrophobicContact CG-CB 4.23Å; L342-V635 HydrophobicContact CG-CG1 4.15Å; T633-V635 PolarHBondContact O-N 3.02Å; V635-S637 VanDerWaalsContact C-N 3.33Å
636	D	86.6	Confident	94.5	Very high	84 Å²	84	26.8 Å²	26.8	45%	0.449	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.7	174.3	68.1	-21.1	0	0	0	114.2	A339 R634 S638	A339-D636 CarbonylContact C-O 3.59Å; A339-D636 WeakPolarHBondContact CA-O 3.14Å; R634-D636 PolarHBondContact O-N 2.97Å; D636-S638 VanDerWaalsContact C-N 3.26Å; D636-S638 PolarHBondContact O-N 2.68Å; D636-S638 WeakPolarHBondContact OD1-CB 3.28Å; D636-S638 PolarHBondContact OD1-N 3.11Å; D636-S638 PolarHBondContact OD1-OG 3.11Å; D636-S638 WeakPolarHBondContact OD2-CB 3.25Å; D636-S638 PolarHBondContact OD2-OG 2.97Å
637	S	92.2	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.			trans	62.9	23	-170.4	-50.9	0	0	0	0	114.3	A338 G340 Q341 R634 V635 N656 Q658 T659	A338-S637 PolarHBondContact O-OG 2.64Å; G340-S637 PolarHBondContact N-OG 2.75Å; Q341-S637 PolarHBondContact NE2-OG 2.94Å; R634-S637 PolarHBondContact O-N 2.81Å; V635-S637 VanDerWaalsContact C-N 3.33Å; S637-N656 VanDerWaalsContact O-CB 3.22Å; S637-N656 WeakPolarHBondContact O-CB 3.46Å; S637-N656 PolarHBondContact O-ND2 2.61Å; S637-N656 VanDerWaalsContact O-ND2 3.16Å; S637-Q658 PolarHBondContact OG-NE2 3.42Å; S637-T659 WeakPolarHBondContact CB-OG1 3.38Å; S637-T659 WeakPolarHBondContact O-CB 3.48Å; S637-T659 PolarHBondContact O-OG1 3.48Å
638	S	95	Very high	94.3	Very high	22 Å²	22	26.7 Å²	26.7	15%	0.154	15%	0.15	C	C	.	.			trans	-60	160.1	172.8	54.9	0	0	0	0	112.9	R634 D636 N656	R634-S638 WeakPolarHBondContact CD-O 3.45Å; R634-S638 PolarHBondContact NH1-OG 2.81Å; D636-S638 VanDerWaalsContact C-N 3.26Å; D636-S638 PolarHBondContact O-N 2.68Å; D636-S638 WeakPolarHBondContact OD1-CB 3.28Å; D636-S638 PolarHBondContact OD1-N 3.11Å; D636-S638 PolarHBondContact OD1-OG 3.11Å; D636-S638 WeakPolarHBondContact OD2-CB 3.25Å; D636-S638 PolarHBondContact OD2-OG 2.97Å; S638-N656 PolarHBondContact O-ND2 3.29Å
639	N	96.8	Very high	94.3	Very high	12 Å²	12	26.8 Å²	26.8	6%	0.064	15%	0.151	C	C	.	.			trans	-107.5	150.1	175.5	-66.1	-58.2	0	0	0	113	R634 L655 N656 T659 D661	R634-N639 PolarHBondContact NH1-O 3.02Å; N639-L655 HydrophobicContact CB-CD2 4.15Å; N639-L655 WeakPolarHBondContact OD1-CB 3.25Å; N639-N656 PolarHBondContact ND2-O 2.98Å; N639-N656 WeakPolarHBondContact OD1-CB 3.48Å; N639-N656 PolarHBondContact OD1-N 3.42Å; N639-T659 PolarHBondContact ND2-O 3.23Å; N639-D661 VanDerWaalsContact CB-OD2 3.28Å; N639-D661 WeakPolarHBondContact CB-OD2 3.43Å; N639-D661 PolarHBondContact N-OD2 3.11Å; N639-D661 PolarHBondContact ND2-OD1 3.22Å; N639-D661 PolarHBondContact ND2-OD2 3.32Å
640	Y	97.3	Very high	94.3	Very high	10 Å²	10	25.9 Å²	25.9	4%	0.039	15%	0.148	C	C	.	.			trans	-77	169.3	160.5	60.4	-95.5	0	0	0	110.3	E603 I628 P630 P642 F645 V653 A654 L655 S663	E603-Y640 HydrophobicContact CB-CD1 4.09Å; E603-Y640 HydrophobicContact CB-CG 4.4Å; E603-Y640 WeakPolarHBondContact OE2-CD1 3.33Å; I628-Y640 PolarHBondContact O-OH 3.18Å; P630-Y640 HydrophobicContact CB-CD1 4.11Å; P630-Y640 HydrophobicContact CB-CE1 4.2Å; P630-Y640 HydrophobicContact CG-CD1 4.18Å; P630-Y640 HydrophobicContact CG-CE1 3.84Å; Y640-P642 VanDerWaalsContact O-CD 3.32Å; Y640-P642 WeakPolarHBondContact O-CD 3.49Å; Y640-F645 AromaticContact CD2-CD2 3.82Å; Y640-F645 HydrophobicContact CD2-CD2 3.82Å; Y640-F645 AromaticContact CD2-CE2 3.58Å; Y640-F645 HydrophobicContact CD2-CE2 3.58Å; Y640-F645 AromaticContact CE2-CD2 3.56Å; Y640-F645 HydrophobicContact CE2-CD2 3.56Å; Y640-F645 AromaticContact CE2-CE2 3.71Å; Y640-F645 HydrophobicContact CE2-CE2 3.71Å; Y640-F645 HydrophobicContact CG-CE2 4.29Å; Y640-V653 HydrophobicContact CE2-CG1 3.61Å; Y640-V653 VanDerWaalsContact OH-CG1 3.27Å; Y640-V653 WeakPolarHBondContact OH-CG1 3.47Å; Y640-A654 WeakPolarHBondContact CE1-O 3.29Å; Y640-A654 PolarHBondContact OH-N 3.15Å; Y640-A654 VanDerWaalsContact OH-N 3.17Å; Y640-A654 PolarHBondContact OH-O 3.21Å; Y640-L655 HydrophobicContact CD1-CD2 4.47Å; Y640-L655 HydrophobicContact CD2-CD2 4.38Å; Y640-L655 HydrophobicContact CE1-CD2 3.97Å; Y640-L655 HydrophobicContact CE2-CD2 3.88Å; Y640-S663 WeakPolarHBondContact O-CB 3.46Å; Y640-S663 PolarHBondContact O-OG 3.07Å
641	N	96.6	Very high	94.4	Very high	34 Å²	34	25.8 Å²	25.8	18%	0.182	15%	0.147	C	C	.	.			trans	-80.6	111.3	176.2	175.5	20.2	0	0	0	110.7	Q643 L644	N641-Q643 VanDerWaalsContact C-N 3.25Å; N641-Q643 PolarHBondContact O-N 2.85Å; N641-Q643 WeakPolarHBondContact OD1-CB 3.41Å; N641-Q643 PolarHBondContact OD1-N 3.1Å; N641-L644 HydrophobicContact CB-CD1 4.21Å; N641-L644 HydrophobicContact CB-CG 4.23Å; N641-L644 WeakPolarHBondContact O-CG 3.09Å; N641-L644 PolarHBondContact O-N 3.48Å
642	P	97.8	Very high	94.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-25.5	-173.1	28.9	-38	0	0	0	113.5	Y640 L644 F645 W646 V653 L655	Y640-P642 VanDerWaalsContact O-CD 3.32Å; Y640-P642 WeakPolarHBondContact O-CD 3.49Å; P642-L644 PolarHBondContact O-N 3.17Å; P642-L644 VanDerWaalsContact O-N 3.11Å; P642-F645 PolarHBondContact O-N 3.07Å; P642-W646 HydrophobicContact CB-CD2 4.18Å; P642-W646 HydrophobicContact CB-CE3 4.25Å; P642-W646 HydrophobicContact CB-CH2 3.63Å; P642-W646 HydrophobicContact CB-CZ2 3.55Å; P642-W646 HydrophobicContact CB-CZ3 3.99Å; P642-W646 HydrophobicContact CG-CE3 4.37Å; P642-W646 HydrophobicContact CG-CH2 3.43Å; P642-W646 VanDerWaalsContact CG-CH2 3.43Å; P642-W646 HydrophobicContact CG-CZ2 3.9Å; P642-W646 HydrophobicContact CG-CZ3 3.7Å; P642-W646 PolarHBondContact O-N 3.09Å; P642-V653 HydrophobicContact CB-CG1 3.65Å; P642-L655 HydrophobicContact CB-CD1 4.3Å; P642-L655 HydrophobicContact CG-CD1 4.17Å
643	Q	97	Very high	95.3	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.023	12%	0.116	C	C	.	.	H	α-helix	trans	-54.2	-33.3	177.9	-171.2	68.6	58.7	0	0	112.8	N641 F645 W646 N647 F733 G734	N641-Q643 VanDerWaalsContact C-N 3.25Å; N641-Q643 PolarHBondContact O-N 2.85Å; N641-Q643 WeakPolarHBondContact OD1-CB 3.41Å; N641-Q643 PolarHBondContact OD1-N 3.1Å; Q643-F645 PolarHBondContact O-N 3.14Å; Q643-W646 HydrophobicContact CB-CE3 4.4Å; Q643-W646 PolarHBondContact O-N 3.33Å; Q643-N647 PolarHBondContact NE2-OD1 3.02Å; Q643-N647 WeakPolarHBondContact O-CB 3.39Å; Q643-N647 PolarHBondContact O-N 2.67Å; Q643-N647 PolarHBondContact O-ND2 2.96Å; Q643-N647 PolarHBondContact O-OD1 3.23Å; Q643-F733 HydrophobicContact CG-CB 4.47Å; Q643-G734 WeakPolarHBondContact CG-O 3.46Å
644	L	96.4	Very high	95.9	Very high	66 Å²	66	17.6 Å²	17.6	35%	0.346	9%	0.093	S	C	.	.	H	α-helix	trans	-56.6	-39.9	178.8	-62.4	175.2	0	0	0	112	L610 N641 P642	L610-L644 HydrophobicContact CD2-CB 4.25Å; L610-L644 WeakPolarHBondContact CD2-O 3.34Å; N641-L644 HydrophobicContact CB-CD1 4.21Å; N641-L644 HydrophobicContact CB-CG 4.23Å; N641-L644 WeakPolarHBondContact O-CG 3.09Å; N641-L644 PolarHBondContact O-N 3.48Å; P642-L644 PolarHBondContact O-N 3.17Å; P642-L644 VanDerWaalsContact O-N 3.11Å
645	F	98.3	Very high	96.3	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.013	8%	0.084	C	C	.	.	H	α-helix	trans	-94.2	-28.5	-176.6	-55.6	-62	0	0	0	112.4	A606 L607 L610 I628 Y640 P642 Q643 N647 A648 G649 C650 V653	A606-F645 HydrophobicContact CB-CD1 4.07Å; A606-F645 HydrophobicContact CB-CE1 3.45Å; A606-F645 VanDerWaalsContact CB-CE1 3.45Å; A606-F645 HydrophobicContact CB-CZ 3.85Å; L607-F645 HydrophobicContact CB-CZ 4.44Å; L610-F645 HydrophobicContact CD2-CD1 4.36Å; L610-F645 HydrophobicContact CD2-CE1 4.28Å; I628-F645 HydrophobicContact CB-CD2 4.36Å; I628-F645 HydrophobicContact CB-CG 4.45Å; I628-F645 HydrophobicContact CG1-CB 3.99Å; I628-F645 HydrophobicContact CG1-CD1 4.33Å; I628-F645 HydrophobicContact CG1-CD2 4.38Å; I628-F645 HydrophobicContact CG1-CG 3.97Å; I628-F645 HydrophobicContact CG2-CD1 4.4Å; I628-F645 HydrophobicContact CG2-CD2 3.78Å; I628-F645 HydrophobicContact CG2-CE1 4.41Å; I628-F645 HydrophobicContact CG2-CE2 3.75Å; I628-F645 HydrophobicContact CG2-CG 4.1Å; I628-F645 HydrophobicContact CG2-CZ 4.08Å; Y640-F645 AromaticContact CD2-CD2 3.82Å; Y640-F645 HydrophobicContact CD2-CD2 3.82Å; Y640-F645 AromaticContact CD2-CE2 3.58Å; Y640-F645 HydrophobicContact CD2-CE2 3.58Å; Y640-F645 AromaticContact CE2-CD2 3.56Å; Y640-F645 HydrophobicContact CE2-CD2 3.56Å; Y640-F645 AromaticContact CE2-CE2 3.71Å; Y640-F645 HydrophobicContact CE2-CE2 3.71Å; Y640-F645 HydrophobicContact CG-CE2 4.29Å; P642-F645 PolarHBondContact O-N 3.07Å; Q643-F645 PolarHBondContact O-N 3.14Å; F645-N647 PolarHBondContact O-N 3.02Å; F645-A648 CarbonylContact O-C 3.47Å; F645-A648 PolarHBondContact O-N 3.31Å; F645-A648 VanDerWaalsContact O-N 3.1Å; F645-G649 PolarHBondContact O-N 3.41Å; F645-C650 HydrophobicContact CB-CB 3.99Å; F645-C650 WeakPolarHBondContact O-CB 3.38Å; F645-C650 PolarHBondContact O-N 3.08Å; F645-C650 PolarHBondContact O-SG 2.9Å; F645-C650 VanDerWaalsContact O-SG 3.39Å; F645-V653 HydrophobicContact CB-CG1 4.37Å; F645-V653 HydrophobicContact CB-CG2 3.95Å; F645-V653 HydrophobicContact CD2-CG1 4.47Å
646	W	98.3	Very high	96.8	Very high	5 Å²	5	12 Å²	12	2%	0.019	6%	0.064	C	C	.	.	H	α-helix	trans	-60	-33.1	165.8	-62.9	-30.1	0	0	0	112	F327 P642 Q643 A648 G649 M670 Y671	F327-W646 HydrophobicContact CD1-CB 4.27Å; F327-W646 AromaticContact CD1-CD1 3.57Å; F327-W646 HydrophobicContact CD1-CG 4.13Å; F327-W646 HydrophobicContact CE1-CB 3.77Å; F327-W646 AromaticContact CE1-CD1 3.93Å; F327-W646 HydrophobicContact CE1-CG 4.13Å; F327-W646 VanDerWaalsContact CE1-O 3.31Å; F327-W646 WeakPolarHBondContact CE1-O 3.45Å; F327-W646 HydrophobicContact CZ-CB 3.99Å; F327-W646 VanDerWaalsContact CZ-O 3.29Å; F327-W646 WeakPolarHBondContact CZ-O 3.46Å; P642-W646 HydrophobicContact CB-CD2 4.18Å; P642-W646 HydrophobicContact CB-CE3 4.25Å; P642-W646 HydrophobicContact CB-CH2 3.63Å; P642-W646 HydrophobicContact CB-CZ2 3.55Å; P642-W646 HydrophobicContact CB-CZ3 3.99Å; P642-W646 HydrophobicContact CG-CE3 4.37Å; P642-W646 HydrophobicContact CG-CH2 3.43Å; P642-W646 VanDerWaalsContact CG-CH2 3.43Å; P642-W646 HydrophobicContact CG-CZ2 3.9Å; P642-W646 HydrophobicContact CG-CZ3 3.7Å; P642-W646 PolarHBondContact O-N 3.09Å; Q643-W646 HydrophobicContact CB-CE3 4.4Å; Q643-W646 PolarHBondContact O-N 3.33Å; W646-A648 VanDerWaalsContact C-N 3.31Å; W646-A648 PolarHBondContact O-N 2.96Å; W646-G649 WeakPolarHBondContact O-CA 3.46Å; W646-G649 PolarHBondContact O-N 3.24Å; W646-M670 HydrophobicContact CD2-CE 4.17Å; W646-M670 HydrophobicContact CD2-SD 3.68Å; W646-M670 VanDerWaalsContact CE2-SD 3.56Å; W646-M670 HydrophobicContact CE3-CE 4.41Å; W646-M670 HydrophobicContact CE3-SD 3.61Å; W646-M670 HydrophobicContact CG-CE 4.49Å; W646-M670 HydrophobicContact CH2-CB 4.3Å; W646-M670 HydrophobicContact CH2-SD 3.42Å; W646-M670 WeakPolarHBondContact CH2-SD 3.38Å; W646-M670 HydrophobicContact CZ2-SD 3.45Å; W646-M670 WeakPolarHBondContact CZ2-SD 3.23Å; W646-M670 HydrophobicContact CZ3-SD 3.49Å; W646-M670 WeakPolarHBondContact CZ3-SD 3.28Å; W646-Y671 HydrophobicContact CZ2-CE2 4.18Å
647	N	96.9	Very high	97.2	Very high	6 Å²	6	8 Å²	8	3%	0.032	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.7	173.3	-66.6	-12.5	0	0	0	113.2	Q643 F645 G649 M686 P695 G734 L735 L773	Q643-N647 PolarHBondContact NE2-OD1 3.02Å; Q643-N647 WeakPolarHBondContact O-CB 3.39Å; Q643-N647 PolarHBondContact O-N 2.67Å; Q643-N647 PolarHBondContact O-ND2 2.96Å; Q643-N647 PolarHBondContact O-OD1 3.23Å; F645-N647 PolarHBondContact O-N 3.02Å; N647-G649 VanDerWaalsContact C-N 3.28Å; N647-M686 WeakPolarHBondContact O-CE 3.34Å; N647-P695 HydrophobicContact CB-CB 4.15Å; N647-P695 WeakPolarHBondContact O-CB 3.22Å; N647-G734 PolarHBondContact ND2-O 3.36Å; N647-G734 PolarHBondContact OD1-O 2.95Å; N647-L735 HydrophobicContact CB-CD2 4.22Å; N647-L773 WeakPolarHBondContact OD1-CD2 3.39Å
648	A	97.2	Very high	97.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	1.5	170.2	0	0	0	0	0	113.7	L610 F617 V618 N621 F645 W646 C650	L610-A648 HydrophobicContact CD1-CB 4Å; F617-A648 HydrophobicContact CB-CB 4.45Å; F617-A648 HydrophobicContact CD1-CB 4.07Å; F617-A648 HydrophobicContact CG-CB 4.18Å; V618-A648 WeakPolarHBondContact CA-O 3.26Å; N621-A648 PolarHBondContact ND2-O 3.46Å; F645-A648 CarbonylContact O-C 3.47Å; F645-A648 PolarHBondContact O-N 3.31Å; F645-A648 VanDerWaalsContact O-N 3.1Å; W646-A648 VanDerWaalsContact C-N 3.31Å; W646-A648 PolarHBondContact O-N 2.96Å; A648-C650 VanDerWaalsContact C-N 3.32Å; A648-C650 PolarHBondContact O-N 3.19Å
649	G	97.7	Very high	97.1	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.01	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	11.1	-178.8	0	0	0	0	0	114.7	F645 W646 N647 Q651 K682 M686	F645-G649 PolarHBondContact O-N 3.41Å; W646-G649 WeakPolarHBondContact O-CA 3.46Å; W646-G649 PolarHBondContact O-N 3.24Å; N647-G649 VanDerWaalsContact C-N 3.28Å; G649-Q651 PolarHBondContact O-N 3.43Å; G649-K682 WeakPolarHBondContact O-CD 3.18Å; G649-K682 PolarHBondContact O-NZ 3.3Å; G649-M686 VanDerWaalsContact N-CE 3.33Å
650	C	98.7	Very high	96.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.			trans	-61.9	131.4	179.9	-53.8	0	0	0	0	110.4	F327 N621 S626 I628 F645 A648 V653	F327-C650 WeakPolarHBondContact CD1-O 3.47Å; N621-C650 PolarHBondContact ND2-N 3.46Å; N621-C650 PolarHBondContact ND2-SG 3.13Å; S626-C650 WeakPolarHBondContact OG-CA 3.44Å; S626-C650 VanDerWaalsContact OG-CB 3.25Å; S626-C650 WeakPolarHBondContact OG-CB 3.28Å; S626-C650 PolarHBondContact OG-SG 3.44Å; I628-C650 HydrophobicContact CD1-CB 4.29Å; I628-C650 HydrophobicContact CG1-CB 4Å; F645-C650 HydrophobicContact CB-CB 3.99Å; F645-C650 WeakPolarHBondContact O-CB 3.38Å; F645-C650 PolarHBondContact O-N 3.08Å; F645-C650 PolarHBondContact O-SG 2.9Å; F645-C650 VanDerWaalsContact O-SG 3.39Å; A648-C650 VanDerWaalsContact C-N 3.32Å; A648-C650 PolarHBondContact O-N 3.19Å; C650-V653 HydrophobicContact CB-CG2 3.96Å; C650-V653 WeakPolarHBondContact O-CG2 3.25Å
651	Q	98.8	Very high	96.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-88.5	-48.4	-168	-55.3	88.3	-12.8	0	0	112.2	S324 Y326 I328 N621 Q624 L625 S626 G649 V653	S324-Q651 WeakPolarHBondContact O-CG 3.17Å; S324-Q651 PolarHBondContact O-NE2 2.92Å; Y326-Q651 VanDerWaalsContact O-CB 3.23Å; Y326-Q651 WeakPolarHBondContact O-CB 3.44Å; Y326-Q651 WeakPolarHBondContact O-CG 3.41Å; I328-Q651 HydrophobicContact CD1-CB 4.15Å; I328-Q651 HydrophobicContact CG1-CB 4.22Å; I328-Q651 PolarHBondContact N-O 3.31Å; N621-Q651 PolarHBondContact O-NE2 3.18Å; N621-Q651 PolarHBondContact OD1-OE1 2.97Å; Q624-Q651 PolarHBondContact O-NE2 3.03Å; L625-Q651 HydrophobicContact CD2-CB 3.87Å; L625-Q651 HydrophobicContact CD2-CG 3.73Å; S626-Q651 PolarHBondContact OG-OE1 3.22Å; G649-Q651 PolarHBondContact O-N 3.43Å; Q651-V653 PolarHBondContact O-N 3.37Å
652	L	98.7	Very high	96.6	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	64.5	-170.5	-60.7	163.6	0	0	0	110.3	I328 S330 C361 I410 M598 L625 S626 R627 I628 A654	I328-L652 HydrophobicContact CB-CD2 3.82Å; I328-L652 HydrophobicContact CD1-CD2 3.94Å; I328-L652 HydrophobicContact CD1-CG 4.46Å; I328-L652 HydrophobicContact CG1-CD2 4.42Å; I328-L652 HydrophobicContact CG2-CD2 3.78Å; S330-L652 WeakPolarHBondContact OG-CA 3.46Å; C361-L652 HydrophobicContact CB-CD2 3.65Å; I410-L652 HydrophobicContact CD1-CD1 4.41Å; I410-L652 HydrophobicContact CD1-CD2 3.86Å; M598-L652 HydrophobicContact CE-CD1 4.05Å; L625-L652 HydrophobicContact CB-CD1 4.42Å; L625-L652 HydrophobicContact CD1-CD1 4.46Å; S626-L652 WeakPolarHBondContact O-CB 3.39Å; S626-L652 PolarHBondContact O-N 3.15Å; R627-L652 CarbonylContact C-O 3.58Å; R627-L652 VanDerWaalsContact CA-O 3.3Å; R627-L652 WeakPolarHBondContact CA-O 3.27Å; R627-L652 HydrophobicContact CB-CB 3.85Å; R627-L652 HydrophobicContact CB-CD1 4.34Å; R627-L652 HydrophobicContact CG-CB 3.97Å; R627-L652 WeakPolarHBondContact CG-O 3.42Å; I628-L652 PolarHBondContact N-O 3.04Å; L652-A654 PolarHBondContact O-N 3.2Å; L652-A654 VanDerWaalsContact O-N 3.16Å
653	V	98.7	Very high	96.6	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.012	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	91.2	-177.1	-176.4	0	0	0	0	109	I628 Y640 P642 F645 C650 Q651	I628-V653 HydrophobicContact CG1-CG2 4.39Å; Y640-V653 HydrophobicContact CE2-CG1 3.61Å; Y640-V653 VanDerWaalsContact OH-CG1 3.27Å; Y640-V653 WeakPolarHBondContact OH-CG1 3.47Å; P642-V653 HydrophobicContact CB-CG1 3.65Å; F645-V653 HydrophobicContact CB-CG1 4.37Å; F645-V653 HydrophobicContact CB-CG2 3.95Å; F645-V653 HydrophobicContact CD2-CG1 4.47Å; C650-V653 HydrophobicContact CB-CG2 3.96Å; C650-V653 WeakPolarHBondContact O-CG2 3.25Å; Q651-V653 PolarHBondContact O-N 3.37Å
654	A	98.6	Very high	96.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.4	-167	0	0	0	0	0	113.5	S330 H332 I628 Y640 L652	S330-A654 WeakPolarHBondContact O-CA 3.36Å; H332-A654 HydrophobicContact CB-CB 4.05Å; I628-A654 WeakPolarHBondContact O-CA 3.4Å; I628-A654 VanDerWaalsContact O-CB 3.29Å; I628-A654 WeakPolarHBondContact O-CB 3.28Å; I628-A654 PolarHBondContact O-N 3.45Å; Y640-A654 WeakPolarHBondContact CE1-O 3.29Å; Y640-A654 PolarHBondContact OH-N 3.15Å; Y640-A654 VanDerWaalsContact OH-N 3.17Å; Y640-A654 PolarHBondContact OH-O 3.21Å; L652-A654 PolarHBondContact O-N 3.2Å; L652-A654 VanDerWaalsContact O-N 3.16Å
655	L	98.4	Very high	96.5	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	159.6	-175.6	-59.9	-179.2	0	0	0	112.9	S330 S331 H332 N639 Y640 P642 F657 M664 N667	S330-L655 PolarHBondContact O-N 3.06Å; S330-L655 VanDerWaalsContact O-N 3.1Å; S331-L655 WeakPolarHBondContact CA-O 3.48Å; H332-L655 PolarHBondContact N-O 2.94Å; N639-L655 HydrophobicContact CB-CD2 4.15Å; N639-L655 WeakPolarHBondContact OD1-CB 3.25Å; Y640-L655 HydrophobicContact CD1-CD2 4.47Å; Y640-L655 HydrophobicContact CD2-CD2 4.38Å; Y640-L655 HydrophobicContact CE1-CD2 3.97Å; Y640-L655 HydrophobicContact CE2-CD2 3.88Å; P642-L655 HydrophobicContact CB-CD1 4.3Å; P642-L655 HydrophobicContact CG-CD1 4.17Å; L655-F657 WeakPolarHBondContact O-CD2 3.48Å; L655-F657 PolarHBondContact O-N 3.36Å; L655-M664 HydrophobicContact CB-CE 3.53Å; L655-M664 HydrophobicContact CD1-CE 3.96Å; L655-M664 HydrophobicContact CG-CE 4.42Å; L655-N667 HydrophobicContact CD1-CB 3.76Å
656	N	97.3	Very high	96.4	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.057	C	C	.	.			trans	-79.9	101.1	173	-67.3	-49.5	0	0	0	110.1	H332 Q341 S637 S638 N639 Q658 T659	H332-N656 PolarHBondContact ND1-OD1 2.93Å; Q341-N656 PolarHBondContact NE2-OD1 3.44Å; S637-N656 VanDerWaalsContact O-CB 3.22Å; S637-N656 WeakPolarHBondContact O-CB 3.46Å; S637-N656 PolarHBondContact O-ND2 2.61Å; S637-N656 VanDerWaalsContact O-ND2 3.16Å; S638-N656 PolarHBondContact O-ND2 3.29Å; N639-N656 PolarHBondContact ND2-O 2.98Å; N639-N656 WeakPolarHBondContact OD1-CB 3.48Å; N639-N656 PolarHBondContact OD1-N 3.42Å; N656-Q658 VanDerWaalsContact C-N 3.29Å; N656-Q658 VanDerWaalsContact CA-OE1 3.25Å; N656-Q658 PolarHBondContact O-N 3.15Å; N656-T659 PolarHBondContact O-N 3.24Å
657	F	95.6	Very high	96.4	Very high	1 Å²	1	10.4 Å²	10.4	0%	0.004	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.1	-175.5	-88.9	-122.1	0	0	0	114.2	M112 N329 S330 M350 V354 S357 C359 L655 T659 I660 M664	M112-F657 HydrophobicContact CE-CD1 4.05Å; M112-F657 HydrophobicContact CE-CE1 4.46Å; M112-F657 HydrophobicContact SD-CD1 3.85Å; N329-F657 WeakPolarHBondContact OD1-CZ 3.35Å; S330-F657 WeakPolarHBondContact O-CE2 3.18Å; M350-F657 HydrophobicContact CE-CB 4.04Å; V354-F657 HydrophobicContact CB-CD1 4.39Å; V354-F657 HydrophobicContact CG1-CD1 4.07Å; V354-F657 HydrophobicContact CG1-CE1 4.18Å; V354-F657 HydrophobicContact CG1-CG 4.41Å; V354-F657 HydrophobicContact CG2-CB 3.86Å; V354-F657 HydrophobicContact CG2-CD1 3.83Å; V354-F657 HydrophobicContact CG2-CG 4Å; S357-F657 WeakPolarHBondContact OG-CE1 3.49Å; C359-F657 HydrophobicContact CB-CE1 4.08Å; C359-F657 HydrophobicContact CB-CZ 4.04Å; L655-F657 WeakPolarHBondContact O-CD2 3.48Å; L655-F657 PolarHBondContact O-N 3.36Å; F657-T659 PolarHBondContact O-N 3.48Å; F657-I660 WeakPolarHBondContact O-CD1 3.38Å; F657-M664 HydrophobicContact CD2-CE 3.7Å; F657-M664 HydrophobicContact CD2-SD 4.37Å; F657-M664 HydrophobicContact CE2-CE 3.99Å; F657-M664 HydrophobicContact CE2-SD 4.46Å; F657-M664 HydrophobicContact CG-CE 4.13Å; F657-M664 HydrophobicContact CG-SD 4.4Å
658	Q	91.8	Very high	96.4	Very high	21 Å²	21	11.1 Å²	11.1	10%	0.098	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.4	172.8	68.2	-78.7	34.2	0	0	113.4	V113 A338 M350 S637 N656	V113-Q658 HydrophobicContact CG2-CB 4.19Å; A338-Q658 WeakPolarHBondContact O-CG 3.38Å; M350-Q658 HydrophobicContact CE-CB 3.94Å; S637-Q658 PolarHBondContact OG-NE2 3.42Å; N656-Q658 VanDerWaalsContact C-N 3.29Å; N656-Q658 VanDerWaalsContact CA-OE1 3.25Å; N656-Q658 PolarHBondContact O-N 3.15Å
659	T	92.9	Very high	96.2	Very high	25 Å²	25	11.2 Å²	11.2	15%	0.153	6%	0.06	C	C	.	.			trans	-111.7	102	-176.2	-52.3	0	0	0	0	111.2	S637 N639 N656 F657 D661 M664	S637-T659 WeakPolarHBondContact CB-OG1 3.38Å; S637-T659 WeakPolarHBondContact O-CB 3.48Å; S637-T659 PolarHBondContact O-OG1 3.48Å; N639-T659 PolarHBondContact ND2-O 3.23Å; N656-T659 PolarHBondContact O-N 3.24Å; F657-T659 PolarHBondContact O-N 3.48Å; T659-D661 HydrophobicContact CG2-CB 4.27Å; T659-D661 PolarHBondContact O-N 3.05Å; T659-M664 VanDerWaalsContact O-CB 3.25Å; T659-M664 WeakPolarHBondContact O-CB 3.3Å
660	I	92.3	Very high	96.1	Very high	42 Å²	42	12.4 Å²	12.4	22%	0.215	7%	0.066	C	C	.	.			trans	-85.5	59.7	-177.4	-41.5	-58.9	0	0	0	111.4	F657 M664 E810 K811	F657-I660 WeakPolarHBondContact O-CD1 3.38Å; I660-M664 HydrophobicContact CD1-CG 3.98Å; I660-E810 HydrophobicContact CG2-CB 3.68Å; I660-E810 WeakPolarHBondContact CG2-O 3.41Å; I660-K811 HydrophobicContact CG1-CG 4.28Å; I660-K811 HydrophobicContact CG2-CG 3.96Å
661	D	93.4	Very high	96	Very high	41 Å²	41	12.7 Å²	12.7	22%	0.219	7%	0.067	C	C	.	.	S	Bend	trans	-83.9	-175	174	64.2	19.5	0	0	0	112.6	N639 T659 S663 M664 Q665	N639-D661 VanDerWaalsContact CB-OD2 3.28Å; N639-D661 WeakPolarHBondContact CB-OD2 3.43Å; N639-D661 PolarHBondContact N-OD2 3.11Å; N639-D661 PolarHBondContact ND2-OD1 3.22Å; N639-D661 PolarHBondContact ND2-OD2 3.32Å; T659-D661 HydrophobicContact CG2-CB 4.27Å; T659-D661 PolarHBondContact O-N 3.05Å; D661-S663 PolarHBondContact O-N 3.29Å; D661-S663 WeakPolarHBondContact OD1-CB 3.4Å; D661-S663 PolarHBondContact OD1-N 2.96Å; D661-S663 VanDerWaalsContact OD1-N 3.11Å; D661-M664 PolarHBondContact O-N 3.04Å; D661-M664 PolarHBondContact OD1-N 2.66Å; D661-Q665 WeakPolarHBondContact O-CG 3.27Å; D661-Q665 PolarHBondContact O-N 3.4Å
662	L	94.6	Very high	95.8	Very high	44 Å²	44	13 Å²	13	23%	0.23	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-31.3	179.8	177.6	62.6	0	0	0	112.9	Q665 L666 F733 R741 R777	L662-Q665 WeakPolarHBondContact O-CB 3.34Å; L662-L666 HydrophobicContact CG-CD1 4.42Å; L662-L666 WeakPolarHBondContact O-CD1 3.33Å; L662-L666 WeakPolarHBondContact O-CG 3.5Å; L662-L666 PolarHBondContact O-N 2.7Å; L662-L666 VanDerWaalsContact O-N 3.07Å; L662-F733 HydrophobicContact CD1-CZ 4.26Å; L662-F733 HydrophobicContact CD2-CE1 4.47Å; L662-F733 HydrophobicContact CD2-CZ 4.15Å; L662-F733 HydrophobicContact CG-CZ 4.46Å; L662-R741 VanDerWaalsContact CD2-NH2 3.27Å; L662-R777 VanDerWaalsContact CD1-NE 3.27Å
663	S	96.4	Very high	95.6	Very high	12 Å²	12	13.1 Å²	13.1	8%	0.084	7%	0.069	C	C	.	.	H	α-helix	trans	-73.3	-40.3	178.4	-65.1	0	0	0	0	111.3	Y640 D661 L666 N667	Y640-S663 WeakPolarHBondContact O-CB 3.46Å; Y640-S663 PolarHBondContact O-OG 3.07Å; D661-S663 PolarHBondContact O-N 3.29Å; D661-S663 WeakPolarHBondContact OD1-CB 3.4Å; D661-S663 PolarHBondContact OD1-N 2.96Å; D661-S663 VanDerWaalsContact OD1-N 3.11Å; S663-L666 PolarHBondContact O-N 3.41Å; S663-N667 PolarHBondContact O-N 2.64Å
664	M	96.4	Very high	95.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68	-36.8	172.5	-172	51	54.2	0	0	112.1	L655 F657 T659 I660 D661 L666 N667 L668	L655-M664 HydrophobicContact CB-CE 3.53Å; L655-M664 HydrophobicContact CD1-CE 3.96Å; L655-M664 HydrophobicContact CG-CE 4.42Å; F657-M664 HydrophobicContact CD2-CE 3.7Å; F657-M664 HydrophobicContact CD2-SD 4.37Å; F657-M664 HydrophobicContact CE2-CE 3.99Å; F657-M664 HydrophobicContact CE2-SD 4.46Å; F657-M664 HydrophobicContact CG-CE 4.13Å; F657-M664 HydrophobicContact CG-SD 4.4Å; T659-M664 VanDerWaalsContact O-CB 3.25Å; T659-M664 WeakPolarHBondContact O-CB 3.3Å; I660-M664 HydrophobicContact CD1-CG 3.98Å; D661-M664 PolarHBondContact O-N 3.04Å; D661-M664 PolarHBondContact OD1-N 2.66Å; M664-L666 VanDerWaalsContact C-N 3.35Å; M664-L666 PolarHBondContact O-N 2.79Å; M664-N667 PolarHBondContact O-N 2.65Å; M664-N667 HydrophobicContact SD-CB 4.24Å; M664-L668 HydrophobicContact CG-CD1 4.06Å; M664-L668 HydrophobicContact CG-CG 4.29Å; M664-L668 WeakPolarHBondContact O-CB 3.47Å; M664-L668 WeakPolarHBondContact O-CG 3.41Å; M664-L668 PolarHBondContact O-N 3.15Å; M664-L668 HydrophobicContact SD-CD1 4.36Å; M664-L668 HydrophobicContact SD-CD2 4.42Å; M664-L668 HydrophobicContact SD-CG 4.01Å
665	Q	96.1	Very high	95.3	Very high	15 Å²	15	14 Å²	14	7%	0.07	8%	0.078	C	C	.	.	H	α-helix	trans	-54.2	-50.1	169.3	-77.8	169	33	0	0	111.1	D661 L662 N667 L668 G669 I792 E810	D661-Q665 WeakPolarHBondContact O-CG 3.27Å; D661-Q665 PolarHBondContact O-N 3.4Å; L662-Q665 WeakPolarHBondContact O-CB 3.34Å; Q665-N667 VanDerWaalsContact C-N 3.35Å; Q665-N667 PolarHBondContact O-N 3.04Å; Q665-L668 PolarHBondContact O-N 3.29Å; Q665-G669 PolarHBondContact O-N 3.22Å; Q665-I792 HydrophobicContact CB-CD1 4.19Å; Q665-I792 WeakPolarHBondContact O-CD1 3.43Å; Q665-E810 VanDerWaalsContact CG-O 3.24Å; Q665-E810 WeakPolarHBondContact CG-O 3.22Å
666	L	96.6	Very high	95.1	Very high	6 Å²	6	16.6 Å²	16.6	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-41.9	176.9	-73.7	161.4	0	0	0	112.5	L662 S663 M664 G669 M670 F733 I792	L662-L666 HydrophobicContact CG-CD1 4.42Å; L662-L666 WeakPolarHBondContact O-CD1 3.33Å; L662-L666 WeakPolarHBondContact O-CG 3.5Å; L662-L666 PolarHBondContact O-N 2.7Å; L662-L666 VanDerWaalsContact O-N 3.07Å; S663-L666 PolarHBondContact O-N 3.41Å; M664-L666 VanDerWaalsContact C-N 3.35Å; M664-L666 PolarHBondContact O-N 2.79Å; L666-G669 PolarHBondContact O-N 3.16Å; L666-M670 WeakPolarHBondContact O-CB 3.41Å; L666-M670 PolarHBondContact O-N 2.98Å; L666-F733 HydrophobicContact CD1-CD1 3.8Å; L666-F733 HydrophobicContact CD1-CD2 4.46Å; L666-F733 HydrophobicContact CD1-CE1 3.76Å; L666-F733 HydrophobicContact CD1-CE2 4.42Å; L666-F733 HydrophobicContact CD1-CG 4.16Å; L666-F733 HydrophobicContact CD1-CZ 4.1Å; L666-F733 HydrophobicContact CD2-CB 4.27Å; L666-F733 HydrophobicContact CD2-CD1 4.3Å; L666-F733 HydrophobicContact CD2-CD2 3.62Å; L666-F733 HydrophobicContact CD2-CE2 3.96Å; L666-F733 HydrophobicContact CD2-CG 3.81Å; L666-F733 HydrophobicContact CD2-CZ 4.46Å; L666-I792 HydrophobicContact CD2-CD1 4.14Å; L666-I792 HydrophobicContact CD2-CG2 4.47Å; L666-I792 HydrophobicContact CG-CD1 4.4Å
667	N	97.8	Very high	95.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.6	-49.7	177.2	-167.9	69.8	0	0	0	112.5	N329 L655 S663 M664 Q665 G669 M670 Y671	N329-N667 PolarHBondContact OD1-ND2 3.16Å; L655-N667 HydrophobicContact CD1-CB 3.76Å; S663-N667 PolarHBondContact O-N 2.64Å; M664-N667 PolarHBondContact O-N 2.65Å; M664-N667 HydrophobicContact SD-CB 4.24Å; Q665-N667 VanDerWaalsContact C-N 3.35Å; Q665-N667 PolarHBondContact O-N 3.04Å; N667-G669 PolarHBondContact O-N 3.4Å; N667-M670 PolarHBondContact O-N 3.27Å; N667-Y671 WeakPolarHBondContact O-CD2 3.4Å; N667-Y671 PolarHBondContact O-N 2.92Å; N667-Y671 VanDerWaalsContact O-N 3.09Å; N667-Y671 WeakPolarHBondContact OD1-CD2 3.48Å; N667-Y671 VanDerWaalsContact OD1-CE2 3.25Å; N667-Y671 WeakPolarHBondContact OD1-CE2 3.42Å
668	L	95.8	Very high	95.2	Very high	22 Å²	22	16.7 Å²	16.7	12%	0.115	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-26.2	177.7	-66	174.2	0	0	0	112.9	M112 M664 Q665 N812	M112-L668 HydrophobicContact CE-CD2 4.07Å; M664-L668 HydrophobicContact CG-CD1 4.06Å; M664-L668 HydrophobicContact CG-CG 4.29Å; M664-L668 WeakPolarHBondContact O-CB 3.47Å; M664-L668 WeakPolarHBondContact O-CG 3.41Å; M664-L668 PolarHBondContact O-N 3.15Å; M664-L668 HydrophobicContact SD-CD1 4.36Å; M664-L668 HydrophobicContact SD-CD2 4.42Å; M664-L668 HydrophobicContact SD-CG 4.01Å; Q665-L668 PolarHBondContact O-N 3.29Å; L668-N812 HydrophobicContact CB-CB 3.9Å; L668-N812 PolarHBondContact O-ND2 3.01Å
669	G	94.6	Very high	95.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-73.8	-47.4	169.9	0	0	0	0	0	112.6	Q665 L666 N667 Y671 E672 Y673	Q665-G669 PolarHBondContact O-N 3.22Å; L666-G669 PolarHBondContact O-N 3.16Å; N667-G669 PolarHBondContact O-N 3.4Å; G669-Y671 PolarHBondContact O-N 2.81Å; G669-E672 PolarHBondContact O-N 3.3Å; G669-Y673 VanDerWaalsContact O-CD2 3.26Å; G669-Y673 WeakPolarHBondContact O-CD2 3.49Å; G669-Y673 WeakPolarHBondContact O-CE2 3.49Å
670	M	94.6	Very high	95.7	Very high	26 Å²	26	16 Å²	16	13%	0.128	8%	0.084	C	C	.	.	H	α-helix	trans	-61.8	-42.9	-177.6	-176.1	-178.2	-175.1	0	0	112.7	F327 W646 L666 N667 R680	F327-M670 HydrophobicContact CB-CE 3.76Å; F327-M670 HydrophobicContact CD2-CE 3.31Å; F327-M670 HydrophobicContact CE2-CE 3.99Å; F327-M670 HydrophobicContact CG-CE 3.69Å; W646-M670 HydrophobicContact CD2-CE 4.17Å; W646-M670 HydrophobicContact CD2-SD 3.68Å; W646-M670 VanDerWaalsContact CE2-SD 3.56Å; W646-M670 HydrophobicContact CE3-CE 4.41Å; W646-M670 HydrophobicContact CE3-SD 3.61Å; W646-M670 HydrophobicContact CG-CE 4.49Å; W646-M670 HydrophobicContact CH2-CB 4.3Å; W646-M670 HydrophobicContact CH2-SD 3.42Å; W646-M670 WeakPolarHBondContact CH2-SD 3.38Å; W646-M670 HydrophobicContact CZ2-SD 3.45Å; W646-M670 WeakPolarHBondContact CZ2-SD 3.23Å; W646-M670 HydrophobicContact CZ3-SD 3.49Å; W646-M670 WeakPolarHBondContact CZ3-SD 3.28Å; L666-M670 WeakPolarHBondContact O-CB 3.41Å; L666-M670 PolarHBondContact O-N 2.98Å; N667-M670 PolarHBondContact O-N 3.27Å; M670-R680 HydrophobicContact CE-CB 4.28Å; M670-R680 HydrophobicContact CE-CG 4.48Å; M670-R680 HydrophobicContact CG-CG 4.37Å; M670-R680 WeakPolarHBondContact O-CD 3.34Å; M670-R680 PolarHBondContact O-NE 3.16Å
671	Y	96.8	Very high	95.9	Very high	7 Å²	7	15.5 Å²	15.5	3%	0.027	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	13.5	-176.1	-66.3	-72.7	0	0	0	114.7	F327 I328 N329 W646 N667 G669 K676 G678 R680	F327-Y671 VanDerWaalsContact C-OH 3.27Å; F327-Y671 WeakPolarHBondContact CB-OH 3.42Å; I328-Y671 VanDerWaalsContact C-OH 3.24Å; I328-Y671 PolarHBondContact N-OH 2.79Å; I328-Y671 VanDerWaalsContact N-OH 3.12Å; I328-Y671 PolarHBondContact O-OH 3.36Å; N329-Y671 HydrophobicContact CB-CD1 3.75Å; N329-Y671 HydrophobicContact CB-CD2 3.68Å; N329-Y671 HydrophobicContact CB-CE1 3.87Å; N329-Y671 HydrophobicContact CB-CE2 3.82Å; N329-Y671 HydrophobicContact CB-CG 3.65Å; N329-Y671 PolarHBondContact N-OH 2.94Å; W646-Y671 HydrophobicContact CZ2-CE2 4.18Å; N667-Y671 WeakPolarHBondContact O-CD2 3.4Å; N667-Y671 PolarHBondContact O-N 2.92Å; N667-Y671 VanDerWaalsContact O-N 3.09Å; N667-Y671 WeakPolarHBondContact OD1-CD2 3.48Å; N667-Y671 VanDerWaalsContact OD1-CE2 3.25Å; N667-Y671 WeakPolarHBondContact OD1-CE2 3.42Å; G669-Y671 PolarHBondContact O-N 2.81Å; Y671-K676 WeakPolarHBondContact O-CA 3.4Å; Y671-G678 WeakPolarHBondContact CE1-O 3.34Å; Y671-R680 HydrophobicContact CD1-CG 3.58Å; Y671-R680 HydrophobicContact CE1-CB 4.25Å; Y671-R680 HydrophobicContact CE1-CG 3.6Å
672	E	95.4	Very high	96.1	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.028	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-34.2	164.1	177.3	168.1	-155.7	0	0	112	N146 L313 G669 K676 R791 R808 N812	N146-E672 PolarHBondContact ND2-OE1 2.88Å; N146-E672 PolarHBondContact OD1-OE1 3Å; L313-E672 HydrophobicContact CD2-CG 4.25Å; G669-E672 PolarHBondContact O-N 3.3Å; E672-K676 PolarHBondContact O-N 3.32Å; E672-R791 IonicContact OE1-NH1 2.85Å; E672-R791 IonicContact OE2-CZ 2.8Å; E672-R791 IonicContact OE2-NH1 3.66Å; E672-R791 PolarHBondContact OE2-NH1 2.89Å; E672-R791 IonicContact OE2-NH2 3.4Å; E672-R808 IonicContact OE1-CZ 3.36Å; E672-R808 IonicContact OE1-NH1 3.66Å; E672-R808 PolarHBondContact OE1-NH1 3.45Å; E672-R808 IonicContact OE1-NH2 3.56Å; E672-R808 PolarHBondContact OE1-NH2 2.82Å; E672-R808 IonicContact OE2-CZ 3.12Å; E672-R808 IonicContact OE2-NH1 2.91Å; E672-R808 PolarHBondContact OE2-NH1 3.41Å; E672-R808 IonicContact OE2-NH2 3.24Å; E672-N812 PolarHBondContact OE2-ND2 2.82Å
673	Y	94.6	Very high	96.1	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.016	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	163.9	-175.9	-56.8	-95	0	0	0	111.9	I308 K312 L313 G669 R680 I792 P794 A797	I308-Y673 HydrophobicContact CD1-CE1 4.37Å; I308-Y673 HydrophobicContact CG2-CE1 3.91Å; K312-Y673 WeakPolarHBondContact O-CD1 3.42Å; L313-Y673 HydrophobicContact CD2-CD1 4.13Å; L313-Y673 HydrophobicContact CD2-CE1 4.04Å; G669-Y673 VanDerWaalsContact O-CD2 3.26Å; G669-Y673 WeakPolarHBondContact O-CD2 3.49Å; G669-Y673 WeakPolarHBondContact O-CE2 3.49Å; Y673-R680 WeakPolarHBondContact O-CD 3.46Å; Y673-I792 PolarHBondContact OH-O 3.43Å; Y673-I792 VanDerWaalsContact OH-O 3.12Å; Y673-P794 HydrophobicContact CD1-CG 4.41Å; Y673-P794 HydrophobicContact CD2-CG 4.02Å; Y673-P794 HydrophobicContact CE1-CG 4.25Å; Y673-P794 VanDerWaalsContact CE2-CD 3.47Å; Y673-P794 HydrophobicContact CE2-CG 3.88Å; Y673-P794 HydrophobicContact CG-CG 4.32Å; Y673-P794 WeakPolarHBondContact OH-CD 3.49Å; Y673-A797 HydrophobicContact CE1-CB 4.46Å
674	N	95.3	Very high	95.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	52.3	-169.4	-166.2	41.5	0	0	0	112.7	D314 Q315 S316 E317 M319 K676 C677 Y679	D314-N674 CarbonylContact O-C 3.46Å; D314-N674 VanDerWaalsContact O-CA 3.25Å; D314-N674 WeakPolarHBondContact O-CA 3.5Å; Q315-N674 WeakPolarHBondContact CA-OD1 3.36Å; S316-N674 PolarHBondContact N-OD1 2.96Å; E317-N674 HydrophobicContact CG-CB 4.29Å; E317-N674 PolarHBondContact N-OD1 2.9Å; E317-N674 VanDerWaalsContact N-OD1 3.1Å; M319-N674 PolarHBondContact SD-ND2 3.09Å; N674-K676 PolarHBondContact O-N 2.85Å; N674-C677 PolarHBondContact ND2-SG 2.7Å; N674-C677 WeakPolarHBondContact O-CB 3.25Å; N674-C677 PolarHBondContact O-N 3.44Å; N674-C677 PolarHBondContact O-SG 2.9Å; N674-Y679 PolarHBondContact ND2-O 3.06Å
675	G	94.1	Very high	95.5	Very high	20 Å²	20	16.8 Å²	16.8	21%	0.206	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	22.4	175.8	0	0	0	0	0	114.6	L313 D314 C677	L313-G675 VanDerWaalsContact O-CA 3.3Å; L313-G675 WeakPolarHBondContact O-CA 3.36Å; L313-G675 PolarHBondContact O-N 3.17Å; D314-G675 VanDerWaalsContact C-N 3.31Å; D314-G675 PolarHBondContact O-N 2.89Å; G675-C677 PolarHBondContact O-N 2.91Å
676	K	95.2	Very high	95.4	Very high	54 Å²	54	16.1 Å²	16.1	24%	0.235	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	24.3	-171.8	-162.6	-177.8	171.8	-177.1	0	113.7	L142 S357 Y671 E672 N674 G678	L142-K676 HydrophobicContact CD1-CB 4.09Å; L142-K676 HydrophobicContact CD2-CB 3.89Å; L142-K676 HydrophobicContact CD2-CD 3.85Å; L142-K676 HydrophobicContact CD2-CG 4.48Å; S357-K676 WeakPolarHBondContact O-CE 3.03Å; Y671-K676 WeakPolarHBondContact O-CA 3.4Å; E672-K676 PolarHBondContact O-N 3.32Å; N674-K676 PolarHBondContact O-N 2.85Å; K676-G678 PolarHBondContact O-N 2.95Å; K676-G678 VanDerWaalsContact O-N 3.09Å
677	C	96.2	Very high	95.3	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.027	9%	0.086	C	C	.	.			trans	-72.5	-7.4	-169.4	72.6	0	0	0	0	114.7	R360 S405 F407 N674 G675 Y679	R360-C677 WeakPolarHBondContact CD-O 3.32Å; S405-C677 WeakPolarHBondContact CB-O 3.41Å; S405-C677 WeakPolarHBondContact OG-CA 3.25Å; S405-C677 PolarHBondContact OG-O 3.27Å; F407-C677 HydrophobicContact CD2-CB 3.69Å; F407-C677 HydrophobicContact CE2-CB 4Å; N674-C677 PolarHBondContact ND2-SG 2.7Å; N674-C677 WeakPolarHBondContact O-CB 3.25Å; N674-C677 PolarHBondContact O-N 3.44Å; N674-C677 PolarHBondContact O-SG 2.9Å; G675-C677 PolarHBondContact O-N 2.91Å; C677-Y679 VanDerWaalsContact C-N 3.3Å; C677-Y679 PolarHBondContact SG-N 3.3Å; C677-Y679 VanDerWaalsContact SG-N 3.44Å; C677-Y679 PolarHBondContact SG-O 3.37Å; C677-Y679 VanDerWaalsContact SG-O 3.33Å
678	G	97.6	Very high	95.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	10%	0.101	C	C	.	.	S	Bend	trans	81.9	2.6	-176.5	0	0	0	0	0	115.2	N329 G358 Y671 K676	N329-G678 PolarHBondContact N-O 3.32Å; G358-G678 WeakPolarHBondContact O-CA 3.36Å; Y671-G678 WeakPolarHBondContact CE1-O 3.34Å; K676-G678 PolarHBondContact O-N 2.95Å; K676-G678 VanDerWaalsContact O-N 3.09Å
679	Y	98.5	Very high	94.9	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.2	175.3	-73.9	-89.5	0	0	0	110.5	M319 L323 Y326 F327 I328 R360 F407 P408 P457 N674 C677	M319-Y679 HydrophobicContact CE-CD2 4.46Å; M319-Y679 HydrophobicContact CE-CG 4.07Å; L323-Y679 HydrophobicContact CD1-CE1 3.61Å; Y326-Y679 HydrophobicContact CG-CD1 4.17Å; F327-Y679 WeakPolarHBondContact O-CA 3.47Å; I328-Y679 HydrophobicContact CB-CE1 4.29Å; I328-Y679 HydrophobicContact CD1-CD1 4.43Å; I328-Y679 HydrophobicContact CD1-CE1 3.72Å; I328-Y679 HydrophobicContact CG1-CD1 3.86Å; I328-Y679 HydrophobicContact CG1-CE1 3.57Å; I328-Y679 HydrophobicContact CG2-CE1 3.92Å; R360-Y679 HydrophobicContact CB-CE2 3.88Å; R360-Y679 HydrophobicContact CG-CD2 3.89Å; R360-Y679 HydrophobicContact CG-CE2 3.51Å; F407-Y679 HydrophobicContact CB-CD2 3.65Å; F407-Y679 HydrophobicContact CB-CE2 3.64Å; F407-Y679 HydrophobicContact CG-CD2 4.32Å; P408-Y679 HydrophobicContact CG-CE2 4.43Å; P408-Y679 PolarHBondContact O-OH 3.3Å; P408-Y679 VanDerWaalsContact O-OH 3.07Å; P457-Y679 HydrophobicContact CG-CD1 4.17Å; P457-Y679 HydrophobicContact CG-CE1 4.31Å; N674-Y679 PolarHBondContact ND2-O 3.06Å; C677-Y679 VanDerWaalsContact C-N 3.3Å; C677-Y679 PolarHBondContact SG-N 3.3Å; C677-Y679 VanDerWaalsContact SG-N 3.44Å; C677-Y679 PolarHBondContact SG-O 3.37Å; C677-Y679 VanDerWaalsContact SG-O 3.33Å
680	R	97.4	Very high	94.7	Very high	30 Å²	30	29.6 Å²	29.6	11%	0.113	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.3	177.6	-63	-73.3	-59	129.1	29.1	108.6	E317 Y326 F327 M670 Y671 Y673 K682	E317-R680 IonicContact OE1-CZ 3.16Å; E317-R680 IonicContact OE1-NH1 2.66Å; E317-R680 PolarHBondContact OE1-NH1 3.48Å; E317-R680 IonicContact OE1-NH2 3.52Å; E317-R680 PolarHBondContact OE1-NH2 3.31Å; E317-R680 IonicContact OE2-CZ 2.71Å; E317-R680 IonicContact OE2-NH1 3.08Å; E317-R680 PolarHBondContact OE2-NH1 3.07Å; E317-R680 IonicContact OE2-NH2 2.8Å; Y326-R680 CarbonylContact C-O 3.6Å; Y326-R680 WeakPolarHBondContact CA-O 3.37Å; F327-R680 HydrophobicContact CB-CB 4.36Å; F327-R680 PolarHBondContact N-O 3.46Å; F327-R680 PolarHBondContact O-N 2.97Å; M670-R680 HydrophobicContact CE-CB 4.28Å; M670-R680 HydrophobicContact CE-CG 4.48Å; M670-R680 HydrophobicContact CG-CG 4.37Å; M670-R680 WeakPolarHBondContact O-CD 3.34Å; M670-R680 PolarHBondContact O-NE 3.16Å; Y671-R680 HydrophobicContact CD1-CG 3.58Å; Y671-R680 HydrophobicContact CE1-CB 4.25Å; Y671-R680 HydrophobicContact CE1-CG 3.6Å; Y673-R680 WeakPolarHBondContact O-CD 3.46Å; R680-K682 PolarHBondContact O-N 3.44Å
681	L	97.7	Very high	94.4	Very high	31 Å²	31	31.2 Å²	31.2	16%	0.162	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.5	-176.2	-178.6	64	0	0	0	110.4	E317 D318 F321 H325 Y326	E317-L681 HydrophobicContact CB-CB 4.15Å; E317-L681 PolarHBondContact OE2-N 3.14Å; D318-L681 HydrophobicContact CB-CD2 4.3Å; F321-L681 HydrophobicContact CB-CD1 4.46Å; F321-L681 HydrophobicContact CD2-CD1 3.8Å; F321-L681 HydrophobicContact CD2-CD2 4.22Å; F321-L681 HydrophobicContact CE2-CD2 4.25Å; F321-L681 HydrophobicContact CG-CD1 4.41Å; H325-L681 HydrophobicContact CB-CD1 4.43Å; Y326-L681 HydrophobicContact CD1-CB 4.16Å; Y326-L681 HydrophobicContact CD1-CD1 4.13Å; Y326-L681 HydrophobicContact CE1-CB 3.99Å; Y326-L681 HydrophobicContact CE1-CD1 3.63Å; Y326-L681 HydrophobicContact CE1-CG 4.38Å; Y326-L681 HydrophobicContact CE2-CD1 4.39Å
682	K	97.6	Very high	94	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-67.2	151.8	178.5	-68	-166.9	-72.2	178.4	0	111.5	S324 H325 F327 N621 G649 R680 M686 R687	S324-K682 WeakPolarHBondContact O-CE 3.32Å; S324-K682 PolarHBondContact O-NZ 3.5Å; H325-K682 VanDerWaalsContact O-CB 3.25Å; H325-K682 WeakPolarHBondContact O-CB 3.28Å; H325-K682 WeakPolarHBondContact O-CG 3.47Å; H325-K682 PolarHBondContact O-N 3.21Å; F327-K682 HydrophobicContact CD1-CD 3.98Å; F327-K682 HydrophobicContact CD1-CG 3.97Å; F327-K682 HydrophobicContact CD2-CG 3.84Å; F327-K682 HydrophobicContact CE1-CD 3.64Å; F327-K682 HydrophobicContact CE1-CG 3.81Å; F327-K682 HydrophobicContact CE2-CB 4.36Å; F327-K682 HydrophobicContact CE2-CD 4.42Å; F327-K682 HydrophobicContact CE2-CG 3.71Å; F327-K682 HydrophobicContact CG-CG 4Å; F327-K682 HydrophobicContact CZ-CB 4.48Å; F327-K682 HydrophobicContact CZ-CD 3.9Å; F327-K682 HydrophobicContact CZ-CG 3.69Å; N621-K682 PolarHBondContact O-NZ 3.5Å; G649-K682 WeakPolarHBondContact O-CD 3.18Å; G649-K682 PolarHBondContact O-NZ 3.3Å; R680-K682 PolarHBondContact O-N 3.44Å; K682-M686 HydrophobicContact CB-CB 4.28Å; K682-R687 HydrophobicContact CB-CG 3.98Å; K682-R687 WeakPolarHBondContact O-CD 3.48Å; K682-R687 PolarHBondContact O-NE 3.45Å
683	P	94	Very high	93.7	Very high	14 Å²	14	37.3 Å²	37.3	9%	0.091	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-53.4	150.9	172.1	-26.6	34.9	0	0	0	113.4	F685 M686 L773	P683-F685 HydrophobicContact CB-CD1 4.26Å; P683-F685 HydrophobicContact CB-CE1 3.38Å; P683-F685 HydrophobicContact CB-CE2 4.1Å; P683-F685 HydrophobicContact CB-CZ 3.26Å; P683-F685 HydrophobicContact CG-CZ 4.07Å; P683-F685 PolarHBondContact O-N 2.71Å; P683-M686 HydrophobicContact CB-CG 4.18Å; P683-M686 HydrophobicContact CB-SD 4.3Å; P683-M686 HydrophobicContact CG-CG 4.47Å; P683-M686 HydrophobicContact CG-SD 3.95Å; P683-M686 WeakPolarHBondContact O-CB 3.21Å; P683-M686 PolarHBondContact O-N 2.97Å; P683-L773 HydrophobicContact CG-CB 4.38Å
684	E	91.3	Very high	93.6	Very high	86 Å²	86	40.2 Å²	40.2	40%	0.402	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-55.1	-45.9	-167.8	-166.8	-167.5	127.3	0	0	114.3	M686 R687 R688	E684-M686 VanDerWaalsContact C-N 3.26Å; E684-M686 PolarHBondContact O-N 3.06Å; E684-R687 PolarHBondContact O-N 2.93Å; E684-R687 VanDerWaalsContact O-N 3.12Å; E684-R688 HydrophobicContact CG-CG 4.17Å; E684-R688 PolarHBondContact O-N 3.33Å; E684-R688 WeakPolarHBondContact OE1-CD 3.4Å; E684-R688 IonicContact OE1-CZ 3.4Å; E684-R688 IonicContact OE1-NE 3.41Å; E684-R688 IonicContact OE1-NH1 3.78Å; E684-R688 PolarHBondContact OE1-NH1 3.09Å
685	F	88.7	Confident	93.4	Very high	22 Å²	22	40.2 Å²	40.2	10%	0.096	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-71.1	-17	179.5	53.6	-87.5	0	0	0	113.2	P683 R687 K691 F693 I704 L770	P683-F685 HydrophobicContact CB-CD1 4.26Å; P683-F685 HydrophobicContact CB-CE1 3.38Å; P683-F685 HydrophobicContact CB-CE2 4.1Å; P683-F685 HydrophobicContact CB-CZ 3.26Å; P683-F685 HydrophobicContact CG-CZ 4.07Å; P683-F685 PolarHBondContact O-N 2.71Å; F685-R687 PolarHBondContact O-N 3.2Å; F685-K691 HydrophobicContact CB-CB 4.31Å; F685-F693 HydrophobicContact CD2-CB 3.88Å; F685-F693 AromaticContact CD2-CD1 3.99Å; F685-F693 HydrophobicContact CD2-CD1 3.99Å; F685-F693 AromaticContact CD2-CD2 3.42Å; F685-F693 HydrophobicContact CD2-CD2 3.42Å; F685-F693 VanDerWaalsContact CD2-CD2 3.42Å; F685-F693 HydrophobicContact CD2-CE1 4.42Å; F685-F693 AromaticContact CD2-CE2 3.91Å; F685-F693 HydrophobicContact CD2-CE2 3.91Å; F685-F693 AromaticContact CD2-CG 3.47Å; F685-F693 HydrophobicContact CD2-CG 3.47Å; F685-F693 VanDerWaalsContact CD2-CG 3.47Å; F685-F693 HydrophobicContact CD2-CZ 4.39Å; F685-F693 AromaticContact CE2-CD1 3.95Å; F685-F693 HydrophobicContact CE2-CD1 3.95Å; F685-F693 AromaticContact CE2-CD2 3.61Å; F685-F693 HydrophobicContact CE2-CD2 3.61Å; F685-F693 AromaticContact CE2-CE1 3.92Å; F685-F693 HydrophobicContact CE2-CE1 3.92Å; F685-F693 AromaticContact CE2-CE2 3.58Å; F685-F693 HydrophobicContact CE2-CE2 3.58Å; F685-F693 AromaticContact CE2-CG 3.8Å; F685-F693 HydrophobicContact CE2-CG 3.8Å; F685-F693 AromaticContact CE2-CZ 3.75Å; F685-F693 HydrophobicContact CE2-CZ 3.75Å; F685-F693 HydrophobicContact CG-CD2 4.4Å; F685-F693 HydrophobicContact CZ-CE2 4.46Å; F685-I704 HydrophobicContact CD1-CD1 3.42Å; F685-I704 VanDerWaalsContact CD1-CD1 3.42Å; F685-I704 HydrophobicContact CD1-CG1 3.86Å; F685-I704 HydrophobicContact CD2-CD1 4.14Å; F685-I704 HydrophobicContact CE1-CD1 3.39Å; F685-I704 HydrophobicContact CE1-CG1 4.06Å; F685-I704 HydrophobicContact CE2-CD1 4.08Å; F685-I704 HydrophobicContact CG-CD1 3.85Å; F685-I704 HydrophobicContact CZ-CD1 3.75Å; F685-L770 HydrophobicContact CE1-CD1 3.64Å; F685-L770 HydrophobicContact CE2-CD1 4.45Å; F685-L770 HydrophobicContact CE2-CD2 3.95Å; F685-L770 HydrophobicContact CZ-CD1 3.32Å; F685-L770 HydrophobicContact CZ-CD2 3.49Å; F685-L770 VanDerWaalsContact CZ-CD2 3.49Å; F685-L770 HydrophobicContact CZ-CG 4.02Å
686	M	93.9	Very high	93.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-86.6	10.4	171.5	-49.6	-171.9	79.9	0	0	112.8	N647 G649 K682 P683 E684 F693 L773	N647-M686 WeakPolarHBondContact O-CE 3.34Å; G649-M686 VanDerWaalsContact N-CE 3.33Å; K682-M686 HydrophobicContact CB-CB 4.28Å; P683-M686 HydrophobicContact CB-CG 4.18Å; P683-M686 HydrophobicContact CB-SD 4.3Å; P683-M686 HydrophobicContact CG-CG 4.47Å; P683-M686 HydrophobicContact CG-SD 3.95Å; P683-M686 WeakPolarHBondContact O-CB 3.21Å; P683-M686 PolarHBondContact O-N 2.97Å; E684-M686 VanDerWaalsContact C-N 3.26Å; E684-M686 PolarHBondContact O-N 3.06Å; M686-F693 HydrophobicContact CE-CD1 4.49Å; M686-F693 HydrophobicContact CE-CE1 4.32Å; M686-F693 HydrophobicContact CG-CD1 4.4Å; M686-L773 HydrophobicContact SD-CD2 4.26Å
687	R	95.1	Very high	93.1	Very high	34 Å²	34	41.9 Å²	41.9	13%	0.128	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-36.9	-179	-63	-173.6	-72.1	120.6	-11.5	112.3	H325 K682 E684 F685	H325-R687 VanDerWaalsContact CB-CD 3.48Å; H325-R687 HydrophobicContact CB-CG 3.93Å; K682-R687 HydrophobicContact CB-CG 3.98Å; K682-R687 WeakPolarHBondContact O-CD 3.48Å; K682-R687 PolarHBondContact O-NE 3.45Å; E684-R687 PolarHBondContact O-N 2.93Å; E684-R687 VanDerWaalsContact O-N 3.12Å; F685-R687 PolarHBondContact O-N 3.2Å
688	R	93.5	Very high	92.6	Very high	80 Å²	80	49.2 Å²	49.2	30%	0.302	24%	0.239	S	C	.	.			trans	-67.4	124.7	-178.5	-87.4	180	67.3	159.4	3.4	112.7	K622 E684 D690 K691	K622-R688 WeakPolarHBondContact CE-O 3.25Å; K622-R688 PolarHBondContact NZ-O 2.86Å; E684-R688 HydrophobicContact CG-CG 4.17Å; E684-R688 PolarHBondContact O-N 3.33Å; E684-R688 WeakPolarHBondContact OE1-CD 3.4Å; E684-R688 IonicContact OE1-CZ 3.4Å; E684-R688 IonicContact OE1-NE 3.41Å; E684-R688 IonicContact OE1-NH1 3.78Å; E684-R688 PolarHBondContact OE1-NH1 3.09Å; R688-D690 VanDerWaalsContact C-N 3.25Å; R688-D690 WeakPolarHBondContact CB-OD1 3.41Å; R688-D690 IonicContact CZ-OD1 2.71Å; R688-D690 IonicContact CZ-OD2 2.67Å; R688-D690 IonicContact NE-OD1 2.76Å; R688-D690 PolarHBondContact NE-OD1 3.16Å; R688-D690 IonicContact NE-OD2 3.86Å; R688-D690 IonicContact NH2-OD1 3.75Å; R688-D690 PolarHBondContact NH2-OD1 2.8Å; R688-D690 IonicContact NH2-OD2 3.28Å; R688-D690 PolarHBondContact NH2-OD2 2.81Å; R688-D690 PolarHBondContact O-N 2.94Å; R688-K691 HydrophobicContact CB-CB 4.13Å; R688-K691 PolarHBondContact O-N 3.17Å
689	P	90.1	Very high	92	Very high	104 Å²	104	52.5 Å²	52.5	68%	0.675	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.2	179.8	30.3	-35.9	0	0	0	113.4
690	D	90.1	Very high	91.3	Very high	95 Å²	95	55.7 Å²	55.7	51%	0.508	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-11.8	179.8	70.5	-59.2	0	0	0	114	R688	R688-D690 VanDerWaalsContact C-N 3.25Å; R688-D690 WeakPolarHBondContact CB-OD1 3.41Å; R688-D690 IonicContact CZ-OD1 2.71Å; R688-D690 IonicContact CZ-OD2 2.67Å; R688-D690 IonicContact NE-OD1 2.76Å; R688-D690 PolarHBondContact NE-OD1 3.16Å; R688-D690 IonicContact NE-OD2 3.86Å; R688-D690 IonicContact NH2-OD1 3.75Å; R688-D690 PolarHBondContact NH2-OD1 2.8Å; R688-D690 IonicContact NH2-OD2 3.28Å; R688-D690 PolarHBondContact NH2-OD2 2.81Å; R688-D690 PolarHBondContact O-N 2.94Å
691	K	89.4	Confident	90.7	Very high	59 Å²	59	55.8 Å²	55.8	26%	0.257	29%	0.285	S	S	.	.			trans	-112.3	109.3	-176.6	-79.1	-72.7	-171.5	166.4	0	110.9	K622 F685 R688 D702	K622-K691 PolarHBondContact NZ-O 2.83Å; F685-K691 HydrophobicContact CB-CB 4.31Å; R688-K691 HydrophobicContact CB-CB 4.13Å; R688-K691 PolarHBondContact O-N 3.17Å; K691-D702 PolarHBondContact NZ-O 3.12Å; K691-D702 IonicContact NZ-OD2 3.16Å; K691-D702 PolarHBondContact NZ-OD2 3.43Å
692	H	87.4	Confident	89.9	Confident	136 Å²	136	60.3 Å²	60.3	63%	0.63	31%	0.31	S	S	*	.			trans	-78.5	145.1	172.4	-63.8	62.4	0	0	0	109.6
693	F	89.3	Confident	89.1	Confident	5 Å²	5	63.6 Å²	63.6	2%	0.022	34%	0.344	C	S	.	.			trans	-141.8	124.7	-177.2	174.3	-104.7	0	0	0	111.6	V618 F685 M686 P695 V701 I704 L735 L770	V618-F693 HydrophobicContact CG1-CB 4.39Å; V618-F693 HydrophobicContact CG1-CD1 4.33Å; V618-F693 HydrophobicContact CG2-CD1 4.28Å; F685-F693 HydrophobicContact CD2-CB 3.88Å; F685-F693 AromaticContact CD2-CD1 3.99Å; F685-F693 HydrophobicContact CD2-CD1 3.99Å; F685-F693 AromaticContact CD2-CD2 3.42Å; F685-F693 HydrophobicContact CD2-CD2 3.42Å; F685-F693 VanDerWaalsContact CD2-CD2 3.42Å; F685-F693 HydrophobicContact CD2-CE1 4.42Å; F685-F693 AromaticContact CD2-CE2 3.91Å; F685-F693 HydrophobicContact CD2-CE2 3.91Å; F685-F693 AromaticContact CD2-CG 3.47Å; F685-F693 HydrophobicContact CD2-CG 3.47Å; F685-F693 VanDerWaalsContact CD2-CG 3.47Å; F685-F693 HydrophobicContact CD2-CZ 4.39Å; F685-F693 AromaticContact CE2-CD1 3.95Å; F685-F693 HydrophobicContact CE2-CD1 3.95Å; F685-F693 AromaticContact CE2-CD2 3.61Å; F685-F693 HydrophobicContact CE2-CD2 3.61Å; F685-F693 AromaticContact CE2-CE1 3.92Å; F685-F693 HydrophobicContact CE2-CE1 3.92Å; F685-F693 AromaticContact CE2-CE2 3.58Å; F685-F693 HydrophobicContact CE2-CE2 3.58Å; F685-F693 AromaticContact CE2-CG 3.8Å; F685-F693 HydrophobicContact CE2-CG 3.8Å; F685-F693 AromaticContact CE2-CZ 3.75Å; F685-F693 HydrophobicContact CE2-CZ 3.75Å; F685-F693 HydrophobicContact CG-CD2 4.4Å; F685-F693 HydrophobicContact CZ-CE2 4.46Å; M686-F693 HydrophobicContact CE-CD1 4.49Å; M686-F693 HydrophobicContact CE-CE1 4.32Å; M686-F693 HydrophobicContact CG-CD1 4.4Å; F693-P695 HydrophobicContact CE1-CB 4Å; F693-V701 HydrophobicContact CE2-CG2 4.36Å; F693-I704 HydrophobicContact CE2-CD1 4.43Å; F693-L735 HydrophobicContact CE1-CD2 4.34Å; F693-L735 HydrophobicContact CE2-CD1 4.47Å; F693-L735 HydrophobicContact CZ-CD1 3.93Å; F693-L735 HydrophobicContact CZ-CD2 3.89Å; F693-L770 HydrophobicContact CZ-CD2 4.12Å
694	D	92.6	Very high	88.8	Confident	65 Å²	65	64.3 Å²	64.3	35%	0.348	35%	0.347	S	S	.	.			trans	-95.9	115	170.9	174.1	16.5	0	0	0	110.1	V615 F696 T697	V615-D694 HydrophobicContact CG2-CB 3.98Å; D694-F696 PolarHBondContact O-N 2.88Å; D694-F696 WeakPolarHBondContact OD1-CB 3.35Å; D694-F696 PolarHBondContact OD1-N 3.02Å; D694-T697 VanDerWaalsContact O-CG2 3.24Å; D694-T697 WeakPolarHBondContact O-CG2 3.36Å; D694-T697 PolarHBondContact O-N 2.62Å
695	P	92	Very high	88.7	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.006	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.1	177	27.9	-34.5	0	0	0	114.6	P614 V618 N647 F693 L735 P736	P614-P695 HydrophobicContact CB-CG 3.82Å; V618-P695 HydrophobicContact CG2-CG 4.41Å; N647-P695 HydrophobicContact CB-CB 4.15Å; N647-P695 WeakPolarHBondContact O-CB 3.22Å; F693-P695 HydrophobicContact CE1-CB 4Å; P695-L735 HydrophobicContact CB-CD2 4.44Å; P695-P736 WeakPolarHBondContact O-CD 3.28Å
696	F	92.9	Very high	88.9	Confident	88 Å²	88	64.1 Å²	64.1	39%	0.386	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	2	176.7	-68.6	-86.1	0	0	0	114.1	L610 P614 D694 E698 P736	L610-F696 HydrophobicContact CD1-CE2 3.87Å; L610-F696 HydrophobicContact CD1-CZ 4.19Å; L610-F696 HydrophobicContact CG-CE2 4.23Å; L610-F696 HydrophobicContact CG-CZ 4.17Å; L610-F696 WeakPolarHBondContact O-CE2 3.42Å; P614-F696 HydrophobicContact CB-CD2 3.9Å; P614-F696 HydrophobicContact CB-CE2 3.9Å; P614-F696 HydrophobicContact CG-CD2 4.13Å; P614-F696 HydrophobicContact CG-CE2 4.39Å; D694-F696 PolarHBondContact O-N 2.88Å; D694-F696 WeakPolarHBondContact OD1-CB 3.35Å; D694-F696 PolarHBondContact OD1-N 3.02Å; F696-E698 PolarHBondContact O-N 3.12Å; F696-P736 HydrophobicContact CD1-CB 4.44Å; F696-P736 HydrophobicContact CD1-CG 3.83Å; F696-P736 HydrophobicContact CE1-CG 3.9Å
697	T	89.2	Confident	89	Confident	21 Å²	21	64.4 Å²	64.4	13%	0.129	36%	0.355	C	S	.	.			trans	-59.1	126.8	-178.6	-171.4	0	0	0	0	113.5	D694 S699 V701 V737 V769	D694-T697 VanDerWaalsContact O-CG2 3.24Å; D694-T697 WeakPolarHBondContact O-CG2 3.36Å; D694-T697 PolarHBondContact O-N 2.62Å; T697-S699 PolarHBondContact OG1-N 2.92Å; T697-S699 PolarHBondContact OG1-OG 3.4Å; T697-V701 HydrophobicContact CG2-CG2 3.55Å; T697-V737 WeakPolarHBondContact O-CG1 3.37Å; T697-V769 HydrophobicContact CG2-CG1 4.42Å
698	E	86	Confident	89	Confident	158 Å²	158	63.6 Å²	63.6	74%	0.738	35%	0.354	S	S	*	.			trans	-87	-13.1	173.2	-60.7	-171.9	174	0	0	112.7	F696 V737 K767	F696-E698 PolarHBondContact O-N 3.12Å; E698-V737 HydrophobicContact CB-CG2 4.47Å; E698-K767 PolarHBondContact O-NZ 2.62Å
699	S	85.2	Confident	89.1	Confident	69 Å²	69	59.8 Å²	59.8	48%	0.483	34%	0.34	S	S	.	.	S	Bend	trans	-92.6	167.5	-174.8	70.8	0	0	0	0	112.3	T697 V769	T697-S699 PolarHBondContact OG1-N 2.92Å; T697-S699 PolarHBondContact OG1-OG 3.4Å; S699-V769 VanDerWaalsContact O-CG1 3.3Å; S699-V769 WeakPolarHBondContact O-CG1 3.39Å
700	T	83.9	Confident	89.4	Confident	68 Å²	68	55.3 Å²	55.3	42%	0.417	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-75.3	122.8	169.2	43.9	0	0	0	0	109.2	A706 Y829	T700-A706 HydrophobicContact CG2-CB 4.02Å; T700-Y829 HydrophobicContact CG2-CD1 3.93Å; T700-Y829 HydrophobicContact CG2-CE1 3.94Å
701	V	84.7	Confident	89.6	Confident	33 Å²	33	50.8 Å²	50.8	20%	0.2	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-79.8	137.5	-178.6	-177.7	0	0	0	0	110.9	F693 T697 G703 I704	F693-V701 HydrophobicContact CE2-CG2 4.36Å; T697-V701 HydrophobicContact CG2-CG2 3.55Å; V701-G703 PolarHBondContact O-N 3Å; V701-I704 HydrophobicContact CB-CB 4.3Å; V701-I704 HydrophobicContact CB-CD1 3.71Å; V701-I704 HydrophobicContact CB-CG1 3.95Å; V701-I704 HydrophobicContact CG1-CD1 3.87Å; V701-I704 HydrophobicContact CG1-CG1 4.1Å; V701-I704 HydrophobicContact CG2-CD1 4.23Å; V701-I704 PolarHBondContact O-N 2.89Å
702	D	80.9	Confident	90	Very high	126 Å²	126	51.9 Å²	51.9	67%	0.674	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	127.1	176.2	170.3	57.7	0	0	0	112.6	K691 I704	K691-D702 PolarHBondContact NZ-O 3.12Å; K691-D702 IonicContact NZ-OD2 3.16Å; K691-D702 PolarHBondContact NZ-OD2 3.43Å; D702-I704 VanDerWaalsContact C-N 3.33Å
703	G	81.8	Confident	90.4	Very high	71 Å²	71	45.8 Å²	45.8	73%	0.732	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-2.8	-176.8	0	0	0	0	0	115.2	V701	V701-G703 PolarHBondContact O-N 3Å
704	I	86.7	Confident	90.7	Very high	29 Å²	29	46.5 Å²	46.5	15%	0.149	27%	0.268	C	S	.	.			trans	-102.7	120.3	173.9	-51.4	-171.6	0	0	0	109.7	F685 F693 V701 D702 A706 L770	F685-I704 HydrophobicContact CD1-CD1 3.42Å; F685-I704 VanDerWaalsContact CD1-CD1 3.42Å; F685-I704 HydrophobicContact CD1-CG1 3.86Å; F685-I704 HydrophobicContact CD2-CD1 4.14Å; F685-I704 HydrophobicContact CE1-CD1 3.39Å; F685-I704 HydrophobicContact CE1-CG1 4.06Å; F685-I704 HydrophobicContact CE2-CD1 4.08Å; F685-I704 HydrophobicContact CG-CD1 3.85Å; F685-I704 HydrophobicContact CZ-CD1 3.75Å; F693-I704 HydrophobicContact CE2-CD1 4.43Å; V701-I704 HydrophobicContact CB-CB 4.3Å; V701-I704 HydrophobicContact CB-CD1 3.71Å; V701-I704 HydrophobicContact CB-CG1 3.95Å; V701-I704 HydrophobicContact CG1-CD1 3.87Å; V701-I704 HydrophobicContact CG1-CG1 4.1Å; V701-I704 HydrophobicContact CG2-CD1 4.23Å; V701-I704 PolarHBondContact O-N 2.89Å; D702-I704 VanDerWaalsContact C-N 3.33Å; I704-A706 PolarHBondContact O-N 3.42Å; I704-L770 HydrophobicContact CD1-CD1 4.36Å; I704-L770 HydrophobicContact CG2-CD1 4.06Å
705	V	89.9	Confident	90.9	Very high	96 Å²	96	43.5 Å²	43.5	58%	0.582	25%	0.253	S	S	*	.			trans	-79.4	104.4	171.4	-174.6	0	0	0	0	108.7	D828	V705-D828 HydrophobicContact CG1-CB 3.83Å; V705-D828 VanDerWaalsContact CG1-CG 3.48Å; V705-D828 VanDerWaalsContact CG1-OD1 3.27Å; V705-D828 WeakPolarHBondContact CG1-OD1 3.32Å
706	A	93.3	Very high	91.1	Very high	7 Å²	7	43.5 Å²	43.5	6%	0.058	25%	0.253	C	S	.	.			trans	-68.4	157	170.8	0	0	0	0	0	110.7	T700 I704 V768 Y829	T700-A706 HydrophobicContact CG2-CB 4.02Å; I704-A706 PolarHBondContact O-N 3.42Å; A706-V768 CarbonylContact C-O 3.56Å; A706-V768 VanDerWaalsContact CA-O 3.25Å; A706-V768 WeakPolarHBondContact CA-O 3.24Å; A706-V768 VanDerWaalsContact CB-O 3.26Å; A706-V768 WeakPolarHBondContact CB-O 3.4Å; A706-Y829 HydrophobicContact CB-CD1 4.06Å; A706-Y829 HydrophobicContact CB-CG 4.38Å; A706-Y829 PolarHBondContact O-N 2.94Å
707	N	94.6	Very high	91.3	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.5	178.9	-76	-177.8	0	0	0	112.3	R258 V768 P771 K827 D828	R258-N707 WeakPolarHBondContact CD-OD1 3.22Å; R258-N707 PolarHBondContact NH1-OD1 3.41Å; N707-V768 PolarHBondContact N-O 2.92Å; N707-V768 WeakPolarHBondContact O-CB 3.48Å; N707-V768 PolarHBondContact O-N 3.47Å; N707-P771 HydrophobicContact CB-CB 4.11Å; N707-P771 HydrophobicContact CB-CG 3.55Å; N707-K827 CarbonylContact C-O 3.58Å; N707-K827 VanDerWaalsContact CA-O 3.3Å; N707-K827 WeakPolarHBondContact CA-O 3.15Å; N707-K827 WeakPolarHBondContact CB-O 3.14Å; N707-D828 PolarHBondContact ND2-OD1 3.07Å
708	T	94.8	Very high	91.6	Very high	17 Å²	17	39.7 Å²	39.7	10%	0.104	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.2	160.1	-60.6	0	0	0	0	108.1	V764 K766 K827	T708-V764 HydrophobicContact CG2-CG1 4.31Å; T708-K766 WeakPolarHBondContact CB-O 3.3Å; T708-K766 PolarHBondContact OG1-O 3.12Å; T708-K827 PolarHBondContact N-O 2.69Å; T708-K827 PolarHBondContact O-N 3.41Å; T708-K827 VanDerWaalsContact O-N 3.09Å
709	L	96	Very high	92.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.2	174.6	175.5	67.8	0	0	0	109.4	V711 M732 F765 L776 V795 V824 E825 V826	L709-V711 HydrophobicContact CD1-CG2 4.23Å; L709-V711 HydrophobicContact CD2-CG2 4.41Å; L709-V711 HydrophobicContact CG-CG2 4.09Å; L709-M732 HydrophobicContact CD2-CE 3.57Å; L709-F765 HydrophobicContact CB-CB 4.27Å; L709-F765 HydrophobicContact CB-CD2 4.43Å; L709-F765 HydrophobicContact CD2-CD2 4.22Å; L709-F765 HydrophobicContact CG-CD2 4.29Å; L709-F765 PolarHBondContact N-O 3.12Å; L709-F765 VanDerWaalsContact N-O 3.11Å; L709-F765 WeakPolarHBondContact O-CA 3.35Å; L709-F765 PolarHBondContact O-N 3.28Å; L709-L776 HydrophobicContact CD2-CB 4.46Å; L709-L776 HydrophobicContact CD2-CD1 3.96Å; L709-L776 HydrophobicContact CD2-CD2 4.3Å; L709-L776 HydrophobicContact CD2-CG 4.48Å; L709-V795 HydrophobicContact CD2-CG1 4.42Å; L709-V795 HydrophobicContact CD2-CG2 4.19Å; L709-V824 HydrophobicContact CD1-CG1 3.79Å; L709-E825 WeakPolarHBondContact CA-O 3.41Å; L709-V826 HydrophobicContact CD1-CB 4.39Å; L709-V826 HydrophobicContact CD1-CG1 4.07Å; L709-V826 HydrophobicContact CD1-CG2 3.75Å
710	S	95.9	Very high	92.4	Very high	10 Å²	10	29.7 Å²	29.7	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.3	175.1	-169.2	0	0	0	0	109.3	A762 I763 V824 E825	S710-A762 WeakPolarHBondContact OG-CB 3.44Å; S710-I763 WeakPolarHBondContact CA-O 3.37Å; S710-V824 CarbonylContact O-C 3.51Å; S710-V824 WeakPolarHBondContact O-CA 3.47Å; S710-E825 PolarHBondContact N-O 3.26Å; S710-E825 PolarHBondContact O-N 3.07Å
711	V	96.1	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	113.7	-179.4	-175.3	0	0	0	0	110.3	L709 I713 I730 I763 L776 I778 V824	L709-V711 HydrophobicContact CD1-CG2 4.23Å; L709-V711 HydrophobicContact CD2-CG2 4.41Å; L709-V711 HydrophobicContact CG-CG2 4.09Å; V711-I713 HydrophobicContact CG1-CD1 4.28Å; V711-I730 HydrophobicContact CB-CD1 4.19Å; V711-I730 HydrophobicContact CG1-CD1 3.79Å; V711-I763 PolarHBondContact N-O 3.09Å; V711-I763 PolarHBondContact O-N 2.98Å; V711-L776 HydrophobicContact CG2-CD2 3.89Å; V711-I778 HydrophobicContact CG1-CD1 4.13Å; V711-V824 HydrophobicContact CG1-CG2 4.43Å
712	K	96.5	Very high	93	Very high	83 Å²	83	34.4 Å²	34.4	36%	0.361	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116	169.7	-174.5	176	179.8	175.9	0	109.3	V714 E760 A762 V822 Y823	K712-V714 HydrophobicContact CG-CG2 4.32Å; K712-E760 VanDerWaalsContact CE-O 3.27Å; K712-E760 WeakPolarHBondContact CE-O 3.38Å; K712-A762 HydrophobicContact CB-CB 3.97Å; K712-V822 WeakPolarHBondContact O-CA 3.3Å; K712-Y823 PolarHBondContact N-O 2.69Å; K712-Y823 PolarHBondContact O-N 2.75Å
713	I	96.4	Very high	93.5	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.2	164.5	-54.4	-54	0	0	0	107.1	V711 V728 I730 T746 W758 I778 V822	V711-I713 HydrophobicContact CG1-CD1 4.28Å; I713-V728 HydrophobicContact CD1-CG1 4.02Å; I713-V728 HydrophobicContact CG1-CB 4.4Å; I713-V728 HydrophobicContact CG1-CG1 4.11Å; I713-V728 HydrophobicContact CG2-CG2 4.09Å; I713-I730 HydrophobicContact CD1-CD1 3.84Å; I713-I730 HydrophobicContact CG1-CD1 4.01Å; I713-T746 HydrophobicContact CB-CG2 4.26Å; I713-T746 HydrophobicContact CG1-CG2 4.17Å; I713-W758 HydrophobicContact CG2-CB 4.23Å; I713-W758 HydrophobicContact CG2-CD2 4.04Å; I713-W758 HydrophobicContact CG2-CE3 3.52Å; I713-W758 HydrophobicContact CG2-CG 4.35Å; I713-W758 HydrophobicContact CG2-CZ3 4.15Å; I713-W758 VanDerWaalsContact O-O 3.13Å; I713-I778 HydrophobicContact CD1-CD1 4.49Å; I713-I778 HydrophobicContact CD1-CG2 4.32Å; I713-V822 HydrophobicContact CD1-CG1 3.69Å
714	V	95.9	Very high	94	Very high	20 Å²	20	33.4 Å²	33.4	12%	0.121	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-52.8	-178.1	-173.6	0	0	0	0	110.4	E225 K712 W758 F821	E225-V714 HydrophobicContact CB-CG1 3.88Å; E225-V714 HydrophobicContact CG-CG1 3.85Å; K712-V714 HydrophobicContact CG-CG2 4.32Å; V714-W758 PolarHBondContact O-N 2.88Å; V714-F821 HydrophobicContact CB-CD1 4Å; V714-F821 WeakPolarHBondContact CB-O 3.35Å; V714-F821 HydrophobicContact CG1-CD1 4.08Å; V714-F821 HydrophobicContact CG1-CE1 4.43Å; V714-F821 PolarHBondContact N-O 3.16Å
715	S	96.7	Very high	94.4	Very high	3 Å²	3	32 Å²	32	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	171.9	179	73.3	0	0	0	0	112.6	E225 P756 F821	E225-S715 VanDerWaalsContact OE1-CB 3.26Å; E225-S715 WeakPolarHBondContact OE1-CB 3.25Å; E225-S715 PolarHBondContact OE1-OG 2.88Å; S715-P756 CarbonylContact C-O 3.52Å; S715-P756 WeakPolarHBondContact CA-O 3.34Å; S715-P756 VanDerWaalsContact CB-O 3.28Å; S715-P756 WeakPolarHBondContact CB-O 3.29Å; S715-F821 PolarHBondContact N-O 2.66Å; S715-F821 VanDerWaalsContact N-O 3.16Å; S715-F821 PolarHBondContact O-N 3.35Å; S715-F821 WeakPolarHBondContact OG-CB 2.87Å
716	G	96.3	Very high	94.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	160.8	171.3	0	0	0	0	0	111.4	N755 P756 A819	G716-N755 WeakPolarHBondContact O-CA 3.32Å; G716-P756 PolarHBondContact N-O 3.49Å; G716-P756 WeakPolarHBondContact O-CD 3.43Å; G716-A819 CarbonylContact C-O 3.57Å; G716-A819 WeakPolarHBondContact CA-O 3.48Å
717	Q	96	Very high	94.8	Very high	8 Å²	8	28 Å²	28	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.8	-176.5	-65.3	175.9	13.7	0	0	111.1	R149 L719 I754 P818 A819	R149-Q717 VanDerWaalsContact CZ-OE1 3.29Å; Q717-L719 PolarHBondContact O-N 3.25Å; Q717-L719 VanDerWaalsContact O-N 3.1Å; Q717-I754 WeakPolarHBondContact CA-O 3.36Å; Q717-P818 WeakPolarHBondContact O-CA 3.31Å; Q717-A819 PolarHBondContact N-O 2.98Å; Q717-A819 PolarHBondContact O-N 3.2Å; Q717-A819 VanDerWaalsContact O-N 3.12Å
718	F	96	Very high	95	Very high	20 Å²	20	27.8 Å²	27.8	9%	0.088	13%	0.134	C	C	.	.	S	Bend	trans	45	44.6	171.2	-51.4	-59	0	0	0	113.7	L153 F179 L217 I220 C221 A753 I754 L817 P818	L153-F718 HydrophobicContact CD2-CE2 4.39Å; F179-F718 AromaticContact CD1-CD1 3.86Å; F179-F718 HydrophobicContact CD1-CD1 3.86Å; F179-F718 AromaticContact CD1-CE1 3.73Å; F179-F718 HydrophobicContact CD1-CE1 3.73Å; F179-F718 HydrophobicContact CD1-CZ 4.31Å; F179-F718 HydrophobicContact CE1-CD1 4.01Å; F179-F718 HydrophobicContact CE1-CD2 4.45Å; F179-F718 AromaticContact CE1-CE1 3.75Å; F179-F718 HydrophobicContact CE1-CE1 3.75Å; F179-F718 HydrophobicContact CE1-CE2 4.23Å; F179-F718 HydrophobicContact CE1-CG 4.36Å; F179-F718 AromaticContact CE1-CZ 3.87Å; F179-F718 HydrophobicContact CE1-CZ 3.87Å; L217-F718 HydrophobicContact CD2-CE2 4.18Å; L217-F718 HydrophobicContact CD2-CZ 3.93Å; I220-F718 HydrophobicContact CG2-CE1 4.04Å; I220-F718 HydrophobicContact CG2-CZ 4.02Å; C221-F718 HydrophobicContact CB-CE1 4.09Å; C221-F718 HydrophobicContact CB-CE2 4.42Å; C221-F718 HydrophobicContact CB-CZ 3.66Å; F718-A753 PolarHBondContact N-O 2.77Å; F718-I754 HydrophobicContact CD1-CG2 4.05Å; F718-I754 HydrophobicContact CE1-CG2 3.93Å; F718-I754 PolarHBondContact N-O 3.49Å; F718-L817 HydrophobicContact CB-CB 3.8Å; F718-L817 HydrophobicContact CD2-CB 4.45Å; F718-L817 HydrophobicContact CD2-CD2 4.28Å; F718-L817 HydrophobicContact CG-CB 4.45Å; F718-P818 WeakPolarHBondContact O-CG 3.37Å
719	L	95.8	Very high	95	Very high	3 Å²	3	28 Å²	28	2%	0.016	13%	0.134	C	C	.	.			trans	-71.1	-42	-163.4	-62.5	173.8	0	0	0	112.9	Q717 T726 A753 P756 W758 V780 I788 L807 P818 A819 L820	Q717-L719 PolarHBondContact O-N 3.25Å; Q717-L719 VanDerWaalsContact O-N 3.1Å; L719-T726 HydrophobicContact CB-CG2 4.46Å; L719-T726 HydrophobicContact CD1-CG2 4.29Å; L719-A753 PolarHBondContact N-O 3.01Å; L719-P756 HydrophobicContact CD1-CG 3.61Å; L719-W758 HydrophobicContact CD1-CH2 3.82Å; L719-V780 HydrophobicContact CD1-CG1 4.19Å; L719-I788 HydrophobicContact CB-CD1 4.37Å; L719-I788 WeakPolarHBondContact O-CG2 3.37Å; L719-L807 HydrophobicContact CD2-CD1 3.87Å; L719-P818 WeakPolarHBondContact O-CG 3.34Å; L719-A819 WeakPolarHBondContact CD2-O 3.47Å; L719-L820 HydrophobicContact CD2-CD2 4.26Å
720	T	93.2	Very high	95	Very high	14 Å²	14	28 Å²	28	9%	0.086	14%	0.135	C	C	.	.			trans	-138.7	155.2	178	171.4	0	0	0	0	109.4	A181 K722 V724 T726 A753 E782 I788	A181-T720 WeakPolarHBondContact CB-O 3.33Å; T720-K722 PolarHBondContact O-N 2.91Å; T720-V724 HydrophobicContact CG2-CG1 3.62Å; T720-T726 HydrophobicContact CG2-CG2 3.99Å; T720-A753 HydrophobicContact CG2-CB 3.44Å; T720-A753 VanDerWaalsContact CG2-CB 3.44Å; T720-E782 HydrophobicContact CG2-CG 4.2Å; T720-E782 PolarHBondContact OG1-OE1 3.46Å; T720-I788 HydrophobicContact CG2-CD1 3.98Å
721	D	89.7	Confident	94.9	Very high	106 Å²	106	27.8 Å²	27.8	57%	0.567	13%	0.132	S	C	*	.	S	Bend	trans	-75.4	-1.2	-179.3	57.9	-30.4	0	0	0	113.2	S180 A181	S180-D721 CarbonylContact C-O 3.52Å; S180-D721 WeakPolarHBondContact OG-CB 3.48Å; S180-D721 PolarHBondContact OG-O 3.01Å; A181-D721 PolarHBondContact N-O 3.02Å
722	K	90.2	Very high	94.9	Very high	94 Å²	94	27.8 Å²	27.8	41%	0.409	13%	0.133	S	C	.	.	S	Bend	trans	-112.6	156	-178.9	-55.1	177.7	-163.4	160.5	0	113.3	T720 V724 E782	T720-K722 PolarHBondContact O-N 2.91Å; K722-V724 HydrophobicContact CB-CG1 4.14Å; K722-V724 PolarHBondContact O-N 2.95Å; K722-E782 IonicContact NZ-OE1 3.21Å; K722-E782 IonicContact NZ-OE2 3.8Å; K722-E782 PolarHBondContact NZ-OE2 2.88Å
723	K	90.8	Very high	94.9	Very high	149 Å²	149	24 Å²	24	65%	0.648	12%	0.116	S	C	*	.	S	Bend	trans	-82.8	87.9	166.6	-161.3	161.6	-175.8	165.2	0	110.8	A181 D182 G751	A181-K723 WeakPolarHBondContact O-CB 3.36Å; D182-K723 IonicContact OD2-NZ 3.33Å; D182-K723 PolarHBondContact OD2-NZ 2.91Å; K723-G751 WeakPolarHBondContact CG-O 3.46Å
724	V	93.6	Very high	94.8	Very high	28 Å²	28	23.6 Å²	23.6	17%	0.17	11%	0.114	C	C	.	.			trans	-143.4	156.2	-176.8	65.4	0	0	0	0	110	T720 K722 G751 E782 E783	T720-V724 HydrophobicContact CG2-CG1 3.62Å; K722-V724 HydrophobicContact CB-CG1 4.14Å; K722-V724 PolarHBondContact O-N 2.95Å; V724-G751 CarbonylContact O-C 3.5Å; V724-E782 HydrophobicContact CG1-CB 4.2Å; V724-E782 HydrophobicContact CG1-CG 3.89Å; V724-E782 HydrophobicContact CG2-CB 4.45Å; V724-E783 HydrophobicContact CG2-CB 3.88Å
725	G	94.9	Very high	94.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.			trans	-65.3	152.2	169.3	0	0	0	0	0	111.8	S749 E782 E783	G725-S749 WeakPolarHBondContact CA-O 3.35Å; G725-E782 CarbonylContact O-C 3.54Å; G725-E783 PolarHBondContact O-N 2.95Å
726	T	96.3	Very high	94.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.3	178.2	58.7	0	0	0	0	111.1	L719 T720 T748 S749 A753 F781 I788	L719-T726 HydrophobicContact CB-CG2 4.46Å; L719-T726 HydrophobicContact CD1-CG2 4.29Å; T720-T726 HydrophobicContact CG2-CG2 3.99Å; T726-T748 CarbonylContact O-C 3.56Å; T726-T748 WeakPolarHBondContact O-CA 3.32Å; T726-S749 PolarHBondContact N-OG 3.1Å; T726-S749 PolarHBondContact O-N 3.01Å; T726-S749 PolarHBondContact O-OG 2.78Å; T726-S749 PolarHBondContact OG1-OG 3.27Å; T726-S749 VanDerWaalsContact OG1-OG 3.1Å; T726-A753 HydrophobicContact CG2-CB 4.1Å; T726-F781 VanDerWaalsContact CA-O 3.25Å; T726-F781 WeakPolarHBondContact CA-O 3.29Å; T726-I788 HydrophobicContact CG2-CD1 3.78Å
727	Y	96.1	Very high	94.5	Very high	19 Å²	19	27.1 Å²	27.1	8%	0.075	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.2	174.7	64.7	-97	0	0	0	111.3	E729 K745 V780 F781	Y727-E729 HydrophobicContact CD2-CG 3.98Å; Y727-E729 HydrophobicContact CE2-CG 3.68Å; Y727-E729 WeakPolarHBondContact CE2-OE1 3.49Å; Y727-K745 HydrophobicContact CD2-CD 3.78Å; Y727-K745 HydrophobicContact CD2-CG 3.9Å; Y727-K745 VanDerWaalsContact CE1-NZ 3.3Å; Y727-K745 HydrophobicContact CE2-CD 3.82Å; Y727-K745 VanDerWaalsContact CE2-CE 3.44Å; Y727-K745 HydrophobicContact CE2-CG 4.4Å; Y727-K745 HydrophobicContact CG-CD 4.44Å; Y727-K745 PolarHBondContact OH-NZ 2.87Å; Y727-V780 WeakPolarHBondContact O-CA 3.42Å; Y727-V780 WeakPolarHBondContact O-CG1 3.41Å; Y727-F781 HydrophobicContact CD1-CB 4.33Å; Y727-F781 HydrophobicContact CD2-CB 4.19Å; Y727-F781 HydrophobicContact CD2-CD2 4.23Å; Y727-F781 HydrophobicContact CE1-CB 3.78Å; Y727-F781 HydrophobicContact CE2-CB 3.62Å; Y727-F781 AromaticContact CE2-CD2 3.58Å; Y727-F781 HydrophobicContact CE2-CD2 3.58Å; Y727-F781 HydrophobicContact CE2-CE2 4.48Å; Y727-F781 AromaticContact CE2-CG 3.83Å; Y727-F781 HydrophobicContact CE2-CG 3.83Å; Y727-F781 AromaticContact CZ-CG 3.87Å; Y727-F781 PolarHBondContact N-O 3.05Å; Y727-F781 PolarHBondContact O-N 3.34Å
728	V	96.8	Very high	94.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.3	179	-174	0	0	0	0	109.4	I713 I730 K745 T746 W758 I778 A779 V780 L820	I713-V728 HydrophobicContact CD1-CG1 4.02Å; I713-V728 HydrophobicContact CG1-CB 4.4Å; I713-V728 HydrophobicContact CG1-CG1 4.11Å; I713-V728 HydrophobicContact CG2-CG2 4.09Å; V728-I730 HydrophobicContact CG1-CG1 4.5Å; V728-K745 CarbonylContact O-C 3.59Å; V728-K745 VanDerWaalsContact O-CA 3.29Å; V728-K745 WeakPolarHBondContact O-CA 3.2Å; V728-T746 HydrophobicContact CB-CG2 4.14Å; V728-T746 PolarHBondContact N-OG1 3.32Å; V728-T746 PolarHBondContact O-N 2.89Å; V728-W758 HydrophobicContact CG2-CE3 4.42Å; V728-W758 HydrophobicContact CG2-CH2 3.8Å; V728-W758 HydrophobicContact CG2-CZ2 4.05Å; V728-W758 HydrophobicContact CG2-CZ3 4Å; V728-I778 HydrophobicContact CG1-CG2 3.49Å; V728-I778 VanDerWaalsContact CG1-CG2 3.49Å; V728-A779 CarbonylContact C-O 3.57Å; V728-A779 WeakPolarHBondContact CA-O 3.04Å; V728-V780 HydrophobicContact CG2-CG1 4.42Å; V728-V780 HydrophobicContact CG2-CG2 4.19Å; V728-L820 HydrophobicContact CG1-CD1 3.98Å; V728-L820 HydrophobicContact CG2-CD1 4.11Å; V728-L820 HydrophobicContact CG2-CD2 3.91Å
729	E	95.9	Very high	94.3	Very high	22 Å²	22	27.6 Å²	27.6	10%	0.103	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.7	167.8	-59.3	-171.9	165.5	0	0	109.4	Y727 F744 K745 A779 F781	Y727-E729 HydrophobicContact CD2-CG 3.98Å; Y727-E729 HydrophobicContact CE2-CG 3.68Å; Y727-E729 WeakPolarHBondContact CE2-OE1 3.49Å; E729-F744 WeakPolarHBondContact CA-O 3.41Å; E729-K745 HydrophobicContact CG-CB 4.26Å; E729-K745 HydrophobicContact CG-CD 4.3Å; E729-K745 HydrophobicContact CG-CG 4.3Å; E729-A779 PolarHBondContact N-O 3Å; E729-A779 PolarHBondContact O-N 3.44Å; E729-F781 HydrophobicContact CB-CE2 4.15Å; E729-F781 HydrophobicContact CG-CD2 4.05Å; E729-F781 HydrophobicContact CG-CE2 3.85Å; E729-F781 WeakPolarHBondContact OE2-CE2 3.44Å
730	I	95.8	Very high	94	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.3	173.2	-48.7	-168	0	0	0	109.5	V711 I713 V728 F744 I763 F765 L776 R777 I778	V711-I730 HydrophobicContact CB-CD1 4.19Å; V711-I730 HydrophobicContact CG1-CD1 3.79Å; I713-I730 HydrophobicContact CD1-CD1 3.84Å; I713-I730 HydrophobicContact CG1-CD1 4.01Å; V728-I730 HydrophobicContact CG1-CG1 4.5Å; I730-F744 HydrophobicContact CB-CB 4.46Å; I730-F744 PolarHBondContact N-O 2.72Å; I730-I763 HydrophobicContact CD1-CD1 3.55Å; I730-I763 HydrophobicContact CG1-CD1 4.09Å; I730-F765 HydrophobicContact CG2-CE2 4.24Å; I730-F765 HydrophobicContact CG2-CZ 3.99Å; I730-L776 HydrophobicContact CG2-CD1 3.61Å; I730-L776 HydrophobicContact CG2-CG 4.29Å; I730-R777 WeakPolarHBondContact CA-O 3.35Å; I730-I778 HydrophobicContact CD1-CG1 4.41Å; I730-I778 HydrophobicContact CG1-CG1 4.31Å; I730-I778 HydrophobicContact CG2-CG1 4.24Å
731	D	94.6	Very high	93.6	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	151.8	171.3	-56.9	-66.4	0	0	0	110.2	F733 K740 R741 K742 R777	D731-F733 HydrophobicContact CB-CD2 4.16Å; D731-F733 HydrophobicContact CB-CE2 3.39Å; D731-F733 HydrophobicContact CB-CZ 3.88Å; D731-K740 CarbonylContact C-O 3.31Å; D731-K740 WeakPolarHBondContact CA-O 3.32Å; D731-R741 WeakPolarHBondContact OD1-CA 3.3Å; D731-K742 PolarHBondContact OD1-N 3.16Å; D731-R777 HydrophobicContact CB-CB 4.23Å; D731-R777 PolarHBondContact N-O 2.89Å; D731-R777 PolarHBondContact O-N 3.15Å; D731-R777 IonicContact OD2-CZ 3.2Å; D731-R777 IonicContact OD2-NH1 2.7Å; D731-R777 PolarHBondContact OD2-NH1 2.72Å
732	M	95.5	Very high	92.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.7	161.2	-176.7	172.5	-72.4	0	0	109.6	L709 T739 K740 F765 V768 L776 V795	L709-M732 HydrophobicContact CD2-CE 3.57Å; M732-T739 CarbonylContact O-C 3.18Å; M732-T739 WeakPolarHBondContact O-CA 3.33Å; M732-K740 PolarHBondContact N-O 2.75Å; M732-K740 PolarHBondContact O-N 3.13Å; M732-F765 HydrophobicContact CB-CD1 4.07Å; M732-F765 HydrophobicContact CB-CE1 3.62Å; M732-F765 HydrophobicContact CB-CZ 4.23Å; M732-F765 HydrophobicContact CE-CB 3.88Å; M732-F765 HydrophobicContact CE-CD1 3.57Å; M732-F765 HydrophobicContact CE-CD2 3.85Å; M732-F765 HydrophobicContact CE-CE1 4.03Å; M732-F765 HydrophobicContact CE-CE2 4.27Å; M732-F765 HydrophobicContact CE-CG 3.48Å; M732-F765 VanDerWaalsContact CE-CG 3.48Å; M732-F765 HydrophobicContact CE-CZ 4.36Å; M732-F765 HydrophobicContact SD-CB 4.5Å; M732-F765 HydrophobicContact SD-CD1 3.85Å; M732-F765 HydrophobicContact SD-CE1 4.37Å; M732-F765 HydrophobicContact SD-CG 4.25Å; M732-V768 HydrophobicContact CE-CG2 3.85Å; M732-V768 HydrophobicContact SD-CG1 4.24Å; M732-V768 HydrophobicContact SD-CG2 3.76Å; M732-L776 HydrophobicContact CE-CD1 4.3Å; M732-V795 HydrophobicContact CE-CG2 4.16Å
733	F	96	Very high	91.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.4	175	-59.4	-94.4	0	0	0	108.8	Q643 L662 L666 D731 R741 A774 S775 R777	Q643-F733 HydrophobicContact CG-CB 4.47Å; L662-F733 HydrophobicContact CD1-CZ 4.26Å; L662-F733 HydrophobicContact CD2-CE1 4.47Å; L662-F733 HydrophobicContact CD2-CZ 4.15Å; L662-F733 HydrophobicContact CG-CZ 4.46Å; L666-F733 HydrophobicContact CD1-CD1 3.8Å; L666-F733 HydrophobicContact CD1-CD2 4.46Å; L666-F733 HydrophobicContact CD1-CE1 3.76Å; L666-F733 HydrophobicContact CD1-CE2 4.42Å; L666-F733 HydrophobicContact CD1-CG 4.16Å; L666-F733 HydrophobicContact CD1-CZ 4.1Å; L666-F733 HydrophobicContact CD2-CB 4.27Å; L666-F733 HydrophobicContact CD2-CD1 4.3Å; L666-F733 HydrophobicContact CD2-CD2 3.62Å; L666-F733 HydrophobicContact CD2-CE2 3.96Å; L666-F733 HydrophobicContact CD2-CG 3.81Å; L666-F733 HydrophobicContact CD2-CZ 4.46Å; D731-F733 HydrophobicContact CB-CD2 4.16Å; D731-F733 HydrophobicContact CB-CE2 3.39Å; D731-F733 HydrophobicContact CB-CZ 3.88Å; F733-R741 HydrophobicContact CD1-CG 4.43Å; F733-R741 HydrophobicContact CE1-CG 3.83Å; F733-R741 HydrophobicContact CZ-CG 4.17Å; F733-A774 CarbonylContact O-C 3.59Å; F733-A774 WeakPolarHBondContact O-CA 3.39Å; F733-S775 PolarHBondContact N-O 2.63Å; F733-S775 PolarHBondContact O-N 3.07Å; F733-R777 HydrophobicContact CD2-CB 4.35Å; F733-R777 HydrophobicContact CE2-CB 3.95Å
734	G	95.3	Very high	91.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	169.5	-138.7	-177.9	0	0	0	0	0	109.8	Q643 N647 T739	Q643-G734 WeakPolarHBondContact CG-O 3.46Å; N647-G734 PolarHBondContact ND2-O 3.36Å; N647-G734 PolarHBondContact OD1-O 2.95Å; G734-T739 PolarHBondContact N-OG1 2.85Å; G734-T739 VanDerWaalsContact N-OG1 3.12Å; G734-T739 PolarHBondContact O-OG1 3.02Å
735	L	94.2	Very high	91.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-58.4	160.7	165.8	-60.7	-176.7	0	0	0	111.3	N647 F693 P695 V737 D738 T739 V769 L770 L773	N647-L735 HydrophobicContact CB-CD2 4.22Å; F693-L735 HydrophobicContact CE1-CD2 4.34Å; F693-L735 HydrophobicContact CE2-CD1 4.47Å; F693-L735 HydrophobicContact CZ-CD1 3.93Å; F693-L735 HydrophobicContact CZ-CD2 3.89Å; P695-L735 HydrophobicContact CB-CD2 4.44Å; L735-V737 VanDerWaalsContact C-N 3.26Å; L735-V737 HydrophobicContact CB-CG1 3.98Å; L735-V737 PolarHBondContact O-N 3.28Å; L735-D738 HydrophobicContact CB-CB 4.5Å; L735-D738 PolarHBondContact O-N 3.06Å; L735-D738 VanDerWaalsContact O-N 3.1Å; L735-T739 WeakPolarHBondContact O-CB 3.36Å; L735-T739 PolarHBondContact O-N 2.97Å; L735-T739 PolarHBondContact O-OG1 3.41Å; L735-V769 HydrophobicContact CD1-CG1 4.17Å; L735-L770 HydrophobicContact CD1-CB 3.58Å; L735-L770 HydrophobicContact CD1-CD2 3.94Å; L735-L770 HydrophobicContact CD1-CG 4.44Å; L735-L770 HydrophobicContact CD2-CD2 4.02Å; L735-L770 HydrophobicContact CG-CB 3.95Å; L735-L770 HydrophobicContact CG-CD2 3.99Å; L735-L773 HydrophobicContact CD2-CD2 4.09Å
736	P	94.3	Very high	91.5	Very high	59 Å²	59	38 Å²	38	38%	0.383	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.8	178	-24.2	36.1	0	0	0	112.8	P695 F696	P695-P736 WeakPolarHBondContact O-CD 3.28Å; F696-P736 HydrophobicContact CD1-CB 4.44Å; F696-P736 HydrophobicContact CD1-CG 3.83Å; F696-P736 HydrophobicContact CE1-CG 3.9Å
737	V	93	Very high	91.3	Very high	38 Å²	38	45.1 Å²	45.1	23%	0.23	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-39.1	174.6	61.7	0	0	0	0	112.7	T697 E698 L735 K740 V769	T697-V737 WeakPolarHBondContact O-CG1 3.37Å; E698-V737 HydrophobicContact CB-CG2 4.47Å; L735-V737 VanDerWaalsContact C-N 3.26Å; L735-V737 HydrophobicContact CB-CG1 3.98Å; L735-V737 PolarHBondContact O-N 3.28Å; V737-K740 PolarHBondContact O-NZ 2.97Å; V737-V769 HydrophobicContact CG1-CB 3.95Å; V737-V769 HydrophobicContact CG1-CG2 3.75Å; V737-V769 HydrophobicContact CG2-CG2 4.19Å
738	D	93.9	Very high	91.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-28.8	-178	-65.8	-20.8	0	0	0	112.1	L735 K740 V768 V769 L770	L735-D738 HydrophobicContact CB-CB 4.5Å; L735-D738 PolarHBondContact O-N 3.06Å; L735-D738 VanDerWaalsContact O-N 3.1Å; D738-K740 PolarHBondContact O-N 3.3Å; D738-V768 HydrophobicContact CB-CG1 4.38Å; D738-V768 WeakPolarHBondContact OD1-CA 3.38Å; D738-V769 PolarHBondContact OD1-N 3.03Å; D738-V769 PolarHBondContact OD2-N 2.9Å; D738-L770 PolarHBondContact OD2-N 3.06Å
739	T	94.4	Very high	91.1	Very high	34 Å²	34	47.4 Å²	47.4	21%	0.209	23%	0.233	C	C	.	.			trans	-67	128.1	-175	-64.5	0	0	0	0	111.3	M732 G734 L735 R741	M732-T739 CarbonylContact O-C 3.18Å; M732-T739 WeakPolarHBondContact O-CA 3.33Å; G734-T739 PolarHBondContact N-OG1 2.85Å; G734-T739 VanDerWaalsContact N-OG1 3.12Å; G734-T739 PolarHBondContact O-OG1 3.02Å; L735-T739 WeakPolarHBondContact O-CB 3.36Å; L735-T739 PolarHBondContact O-N 2.97Å; L735-T739 PolarHBondContact O-OG1 3.41Å; T739-R741 HydrophobicContact CG2-CG 4.01Å
740	K	90.5	Very high	90.7	Very high	87 Å²	87	55.8 Å²	55.8	38%	0.378	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	108	176.8	-57.6	-69.7	162.7	-93.6	0	107.6	D731 M732 V737 D738 A743 F765	D731-K740 CarbonylContact C-O 3.31Å; D731-K740 WeakPolarHBondContact CA-O 3.32Å; M732-K740 PolarHBondContact N-O 2.75Å; M732-K740 PolarHBondContact O-N 3.13Å; V737-K740 PolarHBondContact O-NZ 2.97Å; D738-K740 PolarHBondContact O-N 3.3Å; K740-A743 HydrophobicContact CB-CB 4.13Å; K740-F765 HydrophobicContact CB-CE1 4.17Å; K740-F765 HydrophobicContact CG-CD1 4.38Å; K740-F765 HydrophobicContact CG-CE1 4.31Å
741	R	83.6	Confident	90	Very high	133 Å²	133	57 Å²	57	50%	0.502	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.8	-175.5	-66.5	-179.1	65.5	-155.8	0.3	111.1	L662 D731 F733 T739 A743	L662-R741 VanDerWaalsContact CD2-NH2 3.27Å; D731-R741 WeakPolarHBondContact OD1-CA 3.3Å; F733-R741 HydrophobicContact CD1-CG 4.43Å; F733-R741 HydrophobicContact CE1-CG 3.83Å; F733-R741 HydrophobicContact CZ-CG 4.17Å; T739-R741 HydrophobicContact CG2-CG 4.01Å; R741-A743 PolarHBondContact O-N 3.13Å
742	K	72.9	Confident	89.7	Confident	159 Å²	159	59.3 Å²	59.3	69%	0.691	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.6	24.2	-175.4	-59.4	-170.1	173.3	-169.8	0	114.1	D731	D731-K742 PolarHBondContact OD1-N 3.16Å
743	A	67.1	Low	89.4	Confident	55 Å²	55	59.3 Å²	59.3	46%	0.455	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-29.3	-175.4	0	0	0	0	0	112	K740 R741	K740-A743 HydrophobicContact CB-CB 4.13Å; R741-A743 PolarHBondContact O-N 3.13Å
744	F	87.8	Confident	89.3	Confident	70 Å²	70	59.6 Å²	59.6	31%	0.307	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129	-176.4	-51.3	-75	0	0	0	110.6	E729 I730 I763 F765	E729-F744 WeakPolarHBondContact CA-O 3.41Å; I730-F744 HydrophobicContact CB-CB 4.46Å; I730-F744 PolarHBondContact N-O 2.72Å; F744-I763 HydrophobicContact CB-CD1 3.66Å; F744-I763 HydrophobicContact CB-CG1 4.02Å; F744-I763 HydrophobicContact CB-CG2 4Å; F744-I763 HydrophobicContact CD1-CB 4.49Å; F744-I763 HydrophobicContact CD1-CG1 4.06Å; F744-I763 HydrophobicContact CD1-CG2 3.74Å; F744-I763 HydrophobicContact CD2-CG2 3.35Å; F744-I763 HydrophobicContact CE1-CG2 4Å; F744-I763 HydrophobicContact CE2-CG2 3.64Å; F744-I763 HydrophobicContact CG-CB 4.37Å; F744-I763 HydrophobicContact CG-CD1 4.23Å; F744-I763 HydrophobicContact CG-CG1 4.06Å; F744-I763 HydrophobicContact CG-CG2 3.4Å; F744-I763 HydrophobicContact CZ-CG2 3.95Å; F744-F765 HydrophobicContact CD2-CE1 4.33Å; F744-F765 HydrophobicContact CD2-CZ 4.1Å; F744-F765 AromaticContact CE2-CE1 3.89Å; F744-F765 HydrophobicContact CE2-CE1 3.89Å; F744-F765 HydrophobicContact CE2-CZ 4.04Å
745	K	92.6	Very high	89.3	Confident	104 Å²	104	60.5 Å²	60.5	45%	0.452	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	129	179.8	166.2	168.9	172	161.5	0	108.9	Y727 V728 E729	Y727-K745 HydrophobicContact CD2-CD 3.78Å; Y727-K745 HydrophobicContact CD2-CG 3.9Å; Y727-K745 VanDerWaalsContact CE1-NZ 3.3Å; Y727-K745 HydrophobicContact CE2-CD 3.82Å; Y727-K745 VanDerWaalsContact CE2-CE 3.44Å; Y727-K745 HydrophobicContact CE2-CG 4.4Å; Y727-K745 HydrophobicContact CG-CD 4.44Å; Y727-K745 PolarHBondContact OH-NZ 2.87Å; V728-K745 CarbonylContact O-C 3.59Å; V728-K745 VanDerWaalsContact O-CA 3.29Å; V728-K745 WeakPolarHBondContact O-CA 3.2Å; E729-K745 HydrophobicContact CG-CB 4.26Å; E729-K745 HydrophobicContact CG-CD 4.3Å; E729-K745 HydrophobicContact CG-CG 4.3Å
746	T	94.1	Very high	89.4	Confident	6 Å²	6	60.6 Å²	60.6	4%	0.037	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-74.3	161.5	176.3	68	0	0	0	0	112	I713 V728 W758 E760	I713-T746 HydrophobicContact CB-CG2 4.26Å; I713-T746 HydrophobicContact CG1-CG2 4.17Å; V728-T746 HydrophobicContact CB-CG2 4.14Å; V728-T746 PolarHBondContact N-OG1 3.32Å; V728-T746 PolarHBondContact O-N 2.89Å; T746-W758 HydrophobicContact CG2-CG 4.41Å; T746-W758 PolarHBondContact OG1-NE1 3.02Å; T746-E760 VanDerWaalsContact CA-OE2 3.29Å; T746-E760 WeakPolarHBondContact CA-OE2 3.43Å; T746-E760 WeakPolarHBondContact CB-OE2 3.47Å
747	K	93.3	Very high	89.4	Confident	149 Å²	149	61.1 Å²	61.1	65%	0.648	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-60.5	142.8	169.9	-64.2	158.6	-166.3	158.5	0	110	S749 W758 E760	K747-S749 PolarHBondContact O-N 3.06Å; K747-W758 PolarHBondContact O-NE1 3.03Å; K747-E760 VanDerWaalsContact CB-OE1 3.29Å; K747-E760 WeakPolarHBondContact CB-OE1 3.45Å; K747-E760 VanDerWaalsContact CD-OE1 3.3Å; K747-E760 WeakPolarHBondContact CD-OE1 3.48Å; K747-E760 WeakPolarHBondContact CG-OE1 3.43Å; K747-E760 PolarHBondContact N-OE1 2.97Å
748	T	94.9	Very high	89.4	Confident	55 Å²	55	59.7 Å²	59.7	34%	0.337	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-63.3	130	171.8	-46.8	0	0	0	0	110.2	T726 E783	T726-T748 CarbonylContact O-C 3.56Å; T726-T748 WeakPolarHBondContact O-CA 3.32Å; T748-E783 HydrophobicContact CG2-CB 3.94Å; T748-E783 HydrophobicContact CG2-CG 4.07Å
749	S	93.1	Very high	88.9	Confident	13 Å²	13	67.8 Å²	67.8	9%	0.091	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-63.6	148	174.1	67.9	0	0	0	0	111.4	G725 T726 K747 G751 N752	G725-S749 WeakPolarHBondContact CA-O 3.35Å; T726-S749 PolarHBondContact N-OG 3.1Å; T726-S749 PolarHBondContact O-N 3.01Å; T726-S749 PolarHBondContact O-OG 2.78Å; T726-S749 PolarHBondContact OG1-OG 3.27Å; T726-S749 VanDerWaalsContact OG1-OG 3.1Å; K747-S749 PolarHBondContact O-N 3.06Å; S749-G751 VanDerWaalsContact C-N 3.28Å; S749-G751 PolarHBondContact O-N 3.17Å; S749-N752 PolarHBondContact OG-O 3.32Å
750	Q	87.1	Confident	88.5	Confident	198 Å²	198	68.2 Å²	68.2	93%	0.925	33%	0.331	S	S	*	.	S	Bend	trans	-76.7	71.8	-176.1	-64	-178.5	0.6	0	0	112	N752	Q750-N752 PolarHBondContact O-N 3.47Å; Q750-N752 VanDerWaalsContact O-N 3.11Å
751	G	82.4	Confident	88.5	Confident	27 Å²	27	72.7 Å²	72.7	28%	0.278	35%	0.354	S	S	.	.	S	Bend	trans	66.5	10.6	178.4	0	0	0	0	0	115.4	K723 V724 S749	K723-G751 WeakPolarHBondContact CG-O 3.46Å; V724-G751 CarbonylContact O-C 3.5Å; S749-G751 VanDerWaalsContact C-N 3.28Å; S749-G751 PolarHBondContact O-N 3.17Å
752	N	86.9	Confident	88.9	Confident	51 Å²	51	68.3 Å²	68.3	27%	0.273	35%	0.345	S	S	.	.			trans	-105.1	116.8	179.1	-175.9	4.8	0	0	0	110.7	S749 Q750 I754 N755 P756	S749-N752 PolarHBondContact OG-O 3.32Å; Q750-N752 PolarHBondContact O-N 3.47Å; Q750-N752 VanDerWaalsContact O-N 3.11Å; N752-I754 PolarHBondContact OD1-N 2.88Å; N752-N755 PolarHBondContact ND2-O 3.32Å; N752-N755 PolarHBondContact ND2-OD1 2.7Å; N752-N755 PolarHBondContact OD1-N 2.85Å; N752-N755 VanDerWaalsContact OD1-N 3.1Å; N752-P756 WeakPolarHBondContact O-CB 3.48Å
753	A	91.1	Very high	89.9	Confident	2 Å²	2	61.7 Å²	61.7	2%	0.017	32%	0.318	C	S	.	.			trans	-110.1	-6	172.4	0	0	0	0	0	113.6	F718 L719 T720 T726	F718-A753 PolarHBondContact N-O 2.77Å; L719-A753 PolarHBondContact N-O 3.01Å; T720-A753 HydrophobicContact CG2-CB 3.44Å; T720-A753 VanDerWaalsContact CG2-CB 3.44Å; T726-A753 HydrophobicContact CG2-CB 4.1Å
754	I	93.9	Very high	91.2	Very high	8 Å²	8	62.9 Å²	62.9	4%	0.041	32%	0.319	C	S	.	.	S	Bend	trans	-83.9	-48.1	-177.1	-65.6	178.2	0	0	0	111.2	A181 D182 I220 Q717 F718 N752	A181-I754 HydrophobicContact CB-CD1 4.13Å; A181-I754 HydrophobicContact CB-CG1 3.76Å; D182-I754 HydrophobicContact CB-CD1 3.55Å; I220-I754 VanDerWaalsContact O-CG2 3.27Å; I220-I754 WeakPolarHBondContact O-CG2 3.34Å; Q717-I754 WeakPolarHBondContact CA-O 3.36Å; F718-I754 HydrophobicContact CD1-CG2 4.05Å; F718-I754 HydrophobicContact CE1-CG2 3.93Å; F718-I754 PolarHBondContact N-O 3.49Å; N752-I754 PolarHBondContact OD1-N 2.88Å
755	N	94.3	Very high	91.5	Very high	18 Å²	18	60.1 Å²	60.1	10%	0.096	31%	0.307	C	S	.	.	S	Bend	trans	-146.5	56.1	178.9	68.9	-28.4	0	0	0	112.6	R185 S222 G716 N752	R185-N755 PolarHBondContact NH1-OD1 2.96Å; R185-N755 PolarHBondContact NH2-ND2 2.94Å; S222-N755 PolarHBondContact O-ND2 3.27Å; S222-N755 PolarHBondContact OG-ND2 3.09Å; G716-N755 WeakPolarHBondContact O-CA 3.32Å; N752-N755 PolarHBondContact ND2-O 3.32Å; N752-N755 PolarHBondContact ND2-OD1 2.7Å; N752-N755 PolarHBondContact OD1-N 2.85Å; N752-N755 VanDerWaalsContact OD1-N 3.1Å
756	P	95.2	Very high	91.5	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.019	31%	0.306	C	S	.	.			trans	-61.2	141.6	173.3	25.9	-34.3	0	0	0	112.1	S715 G716 L719 N752 W758	S715-P756 CarbonylContact C-O 3.52Å; S715-P756 WeakPolarHBondContact CA-O 3.34Å; S715-P756 VanDerWaalsContact CB-O 3.28Å; S715-P756 WeakPolarHBondContact CB-O 3.29Å; G716-P756 PolarHBondContact N-O 3.49Å; G716-P756 WeakPolarHBondContact O-CD 3.43Å; L719-P756 HydrophobicContact CD1-CG 3.61Å; N752-P756 WeakPolarHBondContact O-CB 3.48Å; P756-W758 HydrophobicContact CB-CH2 3.98Å; P756-W758 HydrophobicContact CB-CZ2 4.06Å; P756-W758 HydrophobicContact CB-CZ3 4.28Å; P756-W758 HydrophobicContact CG-CH2 3.64Å; P756-W758 HydrophobicContact CG-CZ2 4.18Å; P756-W758 HydrophobicContact CG-CZ3 3.98Å
757	L	94.9	Very high	91.4	Very high	70 Å²	70	62.8 Å²	62.8	37%	0.366	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-112.9	139.2	173.9	-72.8	156.5	0	0	0	108.8	P224 E225	P224-L757 HydrophobicContact CG-CD1 3.85Å; E225-L757 HydrophobicContact CB-CD2 3.88Å; E225-L757 HydrophobicContact CG-CD2 4.23Å
758	W	93.7	Very high	91.5	Very high	8 Å²	8	55.7 Å²	55.7	3%	0.03	29%	0.287	C	S	.	.			trans	-122.4	92.7	177.6	-71.5	-75.7	0	0	0	109.8	I713 V714 L719 V728 T746 K747 P756 E760 L820	I713-W758 HydrophobicContact CG2-CB 4.23Å; I713-W758 HydrophobicContact CG2-CD2 4.04Å; I713-W758 HydrophobicContact CG2-CE3 3.52Å; I713-W758 HydrophobicContact CG2-CG 4.35Å; I713-W758 HydrophobicContact CG2-CZ3 4.15Å; I713-W758 VanDerWaalsContact O-O 3.13Å; V714-W758 PolarHBondContact O-N 2.88Å; L719-W758 HydrophobicContact CD1-CH2 3.82Å; V728-W758 HydrophobicContact CG2-CE3 4.42Å; V728-W758 HydrophobicContact CG2-CH2 3.8Å; V728-W758 HydrophobicContact CG2-CZ2 4.05Å; V728-W758 HydrophobicContact CG2-CZ3 4Å; T746-W758 HydrophobicContact CG2-CG 4.41Å; T746-W758 PolarHBondContact OG1-NE1 3.02Å; K747-W758 PolarHBondContact O-NE1 3.03Å; P756-W758 HydrophobicContact CB-CH2 3.98Å; P756-W758 HydrophobicContact CB-CZ2 4.06Å; P756-W758 HydrophobicContact CB-CZ3 4.28Å; P756-W758 HydrophobicContact CG-CH2 3.64Å; P756-W758 HydrophobicContact CG-CZ2 4.18Å; P756-W758 HydrophobicContact CG-CZ3 3.98Å; W758-E760 PolarHBondContact O-N 3.13Å; W758-L820 HydrophobicContact CH2-CD2 4.28Å; W758-L820 HydrophobicContact CZ3-CD2 3.83Å
759	E	82.4	Confident	91.5	Very high	174 Å²	174	53.1 Å²	53.1	81%	0.813	27%	0.271	S	S	*	.			trans	-80.3	71.1	175.3	-65.1	-178.1	174.7	0	0	110.2
760	E	86	Confident	91.5	Very high	42 Å²	42	52.5 Å²	52.5	20%	0.196	27%	0.267	C	S	.	.			trans	-122.4	160.3	-178.9	-67.1	-177.9	-162	0	0	111.8	K712 T746 K747 W758	K712-E760 VanDerWaalsContact CE-O 3.27Å; K712-E760 WeakPolarHBondContact CE-O 3.38Å; T746-E760 VanDerWaalsContact CA-OE2 3.29Å; T746-E760 WeakPolarHBondContact CA-OE2 3.43Å; T746-E760 WeakPolarHBondContact CB-OE2 3.47Å; K747-E760 VanDerWaalsContact CB-OE1 3.29Å; K747-E760 WeakPolarHBondContact CB-OE1 3.45Å; K747-E760 VanDerWaalsContact CD-OE1 3.3Å; K747-E760 WeakPolarHBondContact CD-OE1 3.48Å; K747-E760 WeakPolarHBondContact CG-OE1 3.43Å; K747-E760 PolarHBondContact N-OE1 2.97Å; W758-E760 PolarHBondContact O-N 3.13Å
761	E	90.5	Very high	91.8	Very high	182 Å²	182	43.3 Å²	43.3	85%	0.85	23%	0.225	S	C	*	.			trans	-70.4	156.6	177.5	-64.9	-173.4	164	0	0	111.2
762	A	93.1	Very high	92.2	Very high	40 Å²	40	45.7 Å²	45.7	33%	0.331	23%	0.234	S	C	.	.			trans	-70.6	134.3	179.1	0	0	0	0	0	110.9	S710 K712 V764	S710-A762 WeakPolarHBondContact OG-CB 3.44Å; K712-A762 HydrophobicContact CB-CB 3.97Å; A762-V764 PolarHBondContact O-N 3.48Å
763	I	94	Very high	92.6	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.108	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	108.4	178.7	-69.6	155.7	0	0	0	108.4	S710 V711 I730 F744 F765	S710-I763 WeakPolarHBondContact CA-O 3.37Å; V711-I763 PolarHBondContact N-O 3.09Å; V711-I763 PolarHBondContact O-N 2.98Å; I730-I763 HydrophobicContact CD1-CD1 3.55Å; I730-I763 HydrophobicContact CG1-CD1 4.09Å; F744-I763 HydrophobicContact CB-CD1 3.66Å; F744-I763 HydrophobicContact CB-CG1 4.02Å; F744-I763 HydrophobicContact CB-CG2 4Å; F744-I763 HydrophobicContact CD1-CB 4.49Å; F744-I763 HydrophobicContact CD1-CG1 4.06Å; F744-I763 HydrophobicContact CD1-CG2 3.74Å; F744-I763 HydrophobicContact CD2-CG2 3.35Å; F744-I763 HydrophobicContact CE1-CG2 4Å; F744-I763 HydrophobicContact CE2-CG2 3.64Å; F744-I763 HydrophobicContact CG-CB 4.37Å; F744-I763 HydrophobicContact CG-CD1 4.23Å; F744-I763 HydrophobicContact CG-CG1 4.06Å; F744-I763 HydrophobicContact CG-CG2 3.4Å; F744-I763 HydrophobicContact CZ-CG2 3.95Å; I763-F765 HydrophobicContact CG2-CD2 4.43Å; I763-F765 HydrophobicContact CG2-CE2 3.74Å; I763-F765 HydrophobicContact CG2-CZ 3.99Å
764	V	93.9	Very high	92.8	Very high	79 Å²	79	43.7 Å²	43.7	48%	0.479	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	107.6	-172.6	-174.7	0	0	0	0	112.1	T708 A762 K766	T708-V764 HydrophobicContact CG2-CG1 4.31Å; A762-V764 PolarHBondContact O-N 3.48Å; V764-K766 VanDerWaalsContact C-N 3.34Å; V764-K766 HydrophobicContact CG1-CB 4.32Å; V764-K766 PolarHBondContact O-N 3.44Å; V764-K766 VanDerWaalsContact O-N 3.14Å
765	F	94.8	Very high	92.9	Very high	13 Å²	13	44.1 Å²	44.1	6%	0.057	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	82	162.6	-55.2	-91.4	0	0	0	108.1	L709 I730 M732 K740 F744 I763 K767 V768 L776	L709-F765 HydrophobicContact CB-CB 4.27Å; L709-F765 HydrophobicContact CB-CD2 4.43Å; L709-F765 HydrophobicContact CD2-CD2 4.22Å; L709-F765 HydrophobicContact CG-CD2 4.29Å; L709-F765 PolarHBondContact N-O 3.12Å; L709-F765 VanDerWaalsContact N-O 3.11Å; L709-F765 WeakPolarHBondContact O-CA 3.35Å; L709-F765 PolarHBondContact O-N 3.28Å; I730-F765 HydrophobicContact CG2-CE2 4.24Å; I730-F765 HydrophobicContact CG2-CZ 3.99Å; M732-F765 HydrophobicContact CB-CD1 4.07Å; M732-F765 HydrophobicContact CB-CE1 3.62Å; M732-F765 HydrophobicContact CB-CZ 4.23Å; M732-F765 HydrophobicContact CE-CB 3.88Å; M732-F765 HydrophobicContact CE-CD1 3.57Å; M732-F765 HydrophobicContact CE-CD2 3.85Å; M732-F765 HydrophobicContact CE-CE1 4.03Å; M732-F765 HydrophobicContact CE-CE2 4.27Å; M732-F765 HydrophobicContact CE-CG 3.48Å; M732-F765 VanDerWaalsContact CE-CG 3.48Å; M732-F765 HydrophobicContact CE-CZ 4.36Å; M732-F765 HydrophobicContact SD-CB 4.5Å; M732-F765 HydrophobicContact SD-CD1 3.85Å; M732-F765 HydrophobicContact SD-CE1 4.37Å; M732-F765 HydrophobicContact SD-CG 4.25Å; K740-F765 HydrophobicContact CB-CE1 4.17Å; K740-F765 HydrophobicContact CG-CD1 4.38Å; K740-F765 HydrophobicContact CG-CE1 4.31Å; F744-F765 HydrophobicContact CD2-CE1 4.33Å; F744-F765 HydrophobicContact CD2-CZ 4.1Å; F744-F765 AromaticContact CE2-CE1 3.89Å; F744-F765 HydrophobicContact CE2-CE1 3.89Å; F744-F765 HydrophobicContact CE2-CZ 4.04Å; I763-F765 HydrophobicContact CG2-CD2 4.43Å; I763-F765 HydrophobicContact CG2-CE2 3.74Å; I763-F765 HydrophobicContact CG2-CZ 3.99Å; F765-K767 PolarHBondContact O-N 2.96Å; F765-K767 VanDerWaalsContact O-N 3.16Å; F765-V768 HydrophobicContact CB-CG2 4.09Å; F765-L776 HydrophobicContact CE2-CD1 3.81Å; F765-L776 HydrophobicContact CZ-CD1 4Å
766	K	91.6	Very high	93	Very high	99 Å²	99	43.3 Å²	43.3	43%	0.43	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	-38.5	-170.6	-176.1	171.2	-176.3	174.8	0	113	T708 V764 Y829 D832	T708-K766 WeakPolarHBondContact CB-O 3.3Å; T708-K766 PolarHBondContact OG1-O 3.12Å; V764-K766 VanDerWaalsContact C-N 3.34Å; V764-K766 HydrophobicContact CG1-CB 4.32Å; V764-K766 PolarHBondContact O-N 3.44Å; V764-K766 VanDerWaalsContact O-N 3.14Å; K766-Y829 HydrophobicContact CG-CE2 4.4Å; K766-Y829 VanDerWaalsContact O-CD2 3.25Å; K766-Y829 WeakPolarHBondContact O-CD2 3.42Å; K766-D832 WeakPolarHBondContact CE-OD1 3.36Å; K766-D832 IonicContact NZ-OD1 2.86Å; K766-D832 PolarHBondContact NZ-OD1 2.98Å; K766-D832 IonicContact NZ-OD2 2.74Å; K766-D832 PolarHBondContact NZ-OD2 2.94Å
767	K	93.3	Very high	93.1	Very high	66 Å²	66	43.8 Å²	43.8	29%	0.287	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	112.7	-176.7	-174.9	-166.5	-170.3	-168.2	0	109.3	E698 F765 V769 Y829	E698-K767 PolarHBondContact O-NZ 2.62Å; F765-K767 PolarHBondContact O-N 2.96Å; F765-K767 VanDerWaalsContact O-N 3.16Å; K767-V769 HydrophobicContact CD-CG2 4.21Å; K767-V769 HydrophobicContact CG-CG2 4.3Å; K767-Y829 HydrophobicContact CB-CD2 4.29Å; K767-Y829 HydrophobicContact CB-CE2 4.16Å; K767-Y829 HydrophobicContact CD-CE1 4.23Å; K767-Y829 HydrophobicContact CG-CD1 4.08Å; K767-Y829 HydrophobicContact CG-CD2 4.46Å; K767-Y829 HydrophobicContact CG-CE1 3.96Å; K767-Y829 HydrophobicContact CG-CE2 4.38Å; K767-Y829 HydrophobicContact CG-CG 4.32Å
768	V	95.1	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	103.9	166.3	-174.9	0	0	0	0	106.2	A706 N707 M732 D738 F765 L770 P771 A774	A706-V768 CarbonylContact C-O 3.56Å; A706-V768 VanDerWaalsContact CA-O 3.25Å; A706-V768 WeakPolarHBondContact CA-O 3.24Å; A706-V768 VanDerWaalsContact CB-O 3.26Å; A706-V768 WeakPolarHBondContact CB-O 3.4Å; N707-V768 PolarHBondContact N-O 2.92Å; N707-V768 WeakPolarHBondContact O-CB 3.48Å; N707-V768 PolarHBondContact O-N 3.47Å; M732-V768 HydrophobicContact CE-CG2 3.85Å; M732-V768 HydrophobicContact SD-CG1 4.24Å; M732-V768 HydrophobicContact SD-CG2 3.76Å; D738-V768 HydrophobicContact CB-CG1 4.38Å; D738-V768 WeakPolarHBondContact OD1-CA 3.38Å; F765-V768 HydrophobicContact CB-CG2 4.09Å; V768-L770 VanDerWaalsContact C-N 3.32Å; V768-L770 PolarHBondContact O-N 2.84Å; V768-P771 HydrophobicContact CB-CG 4.45Å; V768-P771 HydrophobicContact CG1-CG 4.25Å; V768-A774 HydrophobicContact CG1-CB 3.67Å
769	V	93.4	Very high	93.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	21%	0.205	C	C	.	.	S	Bend	trans	-62	-39.5	-176.6	173.5	0	0	0	0	111	T697 S699 L735 V737 D738 K767	T697-V769 HydrophobicContact CG2-CG1 4.42Å; S699-V769 VanDerWaalsContact O-CG1 3.3Å; S699-V769 WeakPolarHBondContact O-CG1 3.39Å; L735-V769 HydrophobicContact CD1-CG1 4.17Å; V737-V769 HydrophobicContact CG1-CB 3.95Å; V737-V769 HydrophobicContact CG1-CG2 3.75Å; V737-V769 HydrophobicContact CG2-CG2 4.19Å; D738-V769 PolarHBondContact OD1-N 3.03Å; D738-V769 PolarHBondContact OD2-N 2.9Å; K767-V769 HydrophobicContact CD-CG2 4.21Å; K767-V769 HydrophobicContact CG-CG2 4.3Å
770	L	93.3	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.			trans	-129.3	81.7	-179.6	-176.8	51.3	0	0	0	113.9	F685 F693 I704 L735 D738 V768 T772 L773 A774	F685-L770 HydrophobicContact CE1-CD1 3.64Å; F685-L770 HydrophobicContact CE2-CD1 4.45Å; F685-L770 HydrophobicContact CE2-CD2 3.95Å; F685-L770 HydrophobicContact CZ-CD1 3.32Å; F685-L770 HydrophobicContact CZ-CD2 3.49Å; F685-L770 VanDerWaalsContact CZ-CD2 3.49Å; F685-L770 HydrophobicContact CZ-CG 4.02Å; F693-L770 HydrophobicContact CZ-CD2 4.12Å; I704-L770 HydrophobicContact CD1-CD1 4.36Å; I704-L770 HydrophobicContact CG2-CD1 4.06Å; L735-L770 HydrophobicContact CD1-CB 3.58Å; L735-L770 HydrophobicContact CD1-CD2 3.94Å; L735-L770 HydrophobicContact CD1-CG 4.44Å; L735-L770 HydrophobicContact CD2-CD2 4.02Å; L735-L770 HydrophobicContact CG-CB 3.95Å; L735-L770 HydrophobicContact CG-CD2 3.99Å; D738-L770 PolarHBondContact OD2-N 3.06Å; V768-L770 VanDerWaalsContact C-N 3.32Å; V768-L770 PolarHBondContact O-N 2.84Å; L770-T772 VanDerWaalsContact CD1-OG1 3.29Å; L770-T772 WeakPolarHBondContact CD1-OG1 3.47Å; L770-T772 PolarHBondContact O-N 3.39Å; L770-T772 VanDerWaalsContact O-N 3.14Å; L770-L773 HydrophobicContact CD2-CB 3.54Å; L770-L773 HydrophobicContact CD2-CD2 3.78Å; L770-L773 HydrophobicContact CD2-CG 4.32Å; L770-L773 HydrophobicContact CG-CB 3.66Å; L770-L773 PolarHBondContact O-N 3.39Å; L770-A774 WeakPolarHBondContact O-CB 3.3Å; L770-A774 PolarHBondContact O-N 3.42Å
771	P	93.2	Very high	94.6	Very high	6 Å²	6	31 Å²	31	4%	0.039	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.3	-177.1	-23.6	35.7	0	0	0	115.2	N707 V768 V795 S796	N707-P771 HydrophobicContact CB-CB 4.11Å; N707-P771 HydrophobicContact CB-CG 3.55Å; V768-P771 HydrophobicContact CB-CG 4.45Å; V768-P771 HydrophobicContact CG1-CG 4.25Å; P771-V795 HydrophobicContact CB-CB 4.47Å; P771-V795 HydrophobicContact CB-CG1 4.14Å; P771-S796 PolarHBondContact O-N 3.46Å
772	T	92.1	Very high	94.8	Very high	76 Å²	76	22.8 Å²	22.8	47%	0.466	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.4	179.8	62.8	0	0	0	0	113.9	L770	L770-T772 VanDerWaalsContact CD1-OG1 3.29Å; L770-T772 WeakPolarHBondContact CD1-OG1 3.47Å; L770-T772 PolarHBondContact O-N 3.39Å; L770-T772 VanDerWaalsContact O-N 3.14Å
773	L	93.9	Very high	94.7	Very high	12 Å²	12	26.4 Å²	26.4	6%	0.063	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-17.5	173.9	-165.6	63.1	0	0	0	111.7	F327 N647 P683 M686 L735 L770	F327-L773 HydrophobicContact CE2-CD1 3.65Å; F327-L773 HydrophobicContact CZ-CD1 3.74Å; N647-L773 WeakPolarHBondContact OD1-CD2 3.39Å; P683-L773 HydrophobicContact CG-CB 4.38Å; M686-L773 HydrophobicContact SD-CD2 4.26Å; L735-L773 HydrophobicContact CD2-CD2 4.09Å; L770-L773 HydrophobicContact CD2-CB 3.54Å; L770-L773 HydrophobicContact CD2-CD2 3.78Å; L770-L773 HydrophobicContact CD2-CG 4.32Å; L770-L773 HydrophobicContact CG-CB 3.66Å; L770-L773 PolarHBondContact O-N 3.39Å
774	A	95.7	Very high	94.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.			trans	-75.4	138.8	177.2	0	0	0	0	0	112.9	F733 V768 L770 V795	F733-A774 CarbonylContact O-C 3.59Å; F733-A774 WeakPolarHBondContact O-CA 3.39Å; V768-A774 HydrophobicContact CG1-CB 3.67Å; L770-A774 WeakPolarHBondContact O-CB 3.3Å; L770-A774 PolarHBondContact O-N 3.42Å; A774-V795 HydrophobicContact CB-CB 4.35Å; A774-V795 HydrophobicContact CB-CG2 3.86Å; A774-V795 PolarHBondContact O-N 3.18Å
775	S	96.4	Very high	94.4	Very high	17 Å²	17	27.4 Å²	27.4	12%	0.119	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.5	172.5	-66.3	0	0	0	0	111	F733 M793	F733-S775 PolarHBondContact N-O 2.63Å; F733-S775 PolarHBondContact O-N 3.07Å; S775-M793 WeakPolarHBondContact CA-O 3.37Å
776	L	96.7	Very high	94.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.1	169.7	-170.8	76.5	0	0	0	109.3	L709 V711 I730 M732 F765 I778 I792 M793 I798	L709-L776 HydrophobicContact CD2-CB 4.46Å; L709-L776 HydrophobicContact CD2-CD1 3.96Å; L709-L776 HydrophobicContact CD2-CD2 4.3Å; L709-L776 HydrophobicContact CD2-CG 4.48Å; V711-L776 HydrophobicContact CG2-CD2 3.89Å; I730-L776 HydrophobicContact CG2-CD1 3.61Å; I730-L776 HydrophobicContact CG2-CG 4.29Å; M732-L776 HydrophobicContact CE-CD1 4.3Å; F765-L776 HydrophobicContact CE2-CD1 3.81Å; F765-L776 HydrophobicContact CZ-CD1 4Å; L776-I778 HydrophobicContact CD2-CD1 3.89Å; L776-I778 HydrophobicContact CD2-CG1 4.02Å; L776-I778 HydrophobicContact CG-CG1 4.31Å; L776-I792 WeakPolarHBondContact O-CA 3.27Å; L776-M793 HydrophobicContact CD2-CE 4.15Å; L776-M793 PolarHBondContact N-O 3.21Å; L776-M793 PolarHBondContact O-N 2.93Å; L776-I798 HydrophobicContact CB-CD1 3.88Å; L776-I798 HydrophobicContact CD2-CD1 4.03Å
777	R	96.7	Very high	94.6	Very high	13 Å²	13	28.4 Å²	28.4	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.1	169.5	172.7	-178.9	-176.7	-86	-1.9	109.1	L662 I730 D731 F733 R791 I792	L662-R777 VanDerWaalsContact CD1-NE 3.27Å; I730-R777 WeakPolarHBondContact CA-O 3.35Å; D731-R777 HydrophobicContact CB-CB 4.23Å; D731-R777 PolarHBondContact N-O 2.89Å; D731-R777 PolarHBondContact O-N 3.15Å; D731-R777 IonicContact OD2-CZ 3.2Å; D731-R777 IonicContact OD2-NH1 2.7Å; D731-R777 PolarHBondContact OD2-NH1 2.72Å; F733-R777 HydrophobicContact CD2-CB 4.35Å; F733-R777 HydrophobicContact CE2-CB 3.95Å; R777-R791 WeakPolarHBondContact CA-O 3.28Å; R777-I792 HydrophobicContact CB-CG1 4.08Å; R777-I792 HydrophobicContact CG-CD1 4.47Å; R777-I792 HydrophobicContact CG-CG1 3.96Å
778	I	97.1	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.1	171.2	-60.7	173.6	0	0	0	107.1	V711 I713 V728 I730 L776 H790 R791 M793 I805 L820	V711-I778 HydrophobicContact CG1-CD1 4.13Å; I713-I778 HydrophobicContact CD1-CD1 4.49Å; I713-I778 HydrophobicContact CD1-CG2 4.32Å; V728-I778 HydrophobicContact CG1-CG2 3.49Å; V728-I778 VanDerWaalsContact CG1-CG2 3.49Å; I730-I778 HydrophobicContact CD1-CG1 4.41Å; I730-I778 HydrophobicContact CG1-CG1 4.31Å; I730-I778 HydrophobicContact CG2-CG1 4.24Å; L776-I778 HydrophobicContact CD2-CD1 3.89Å; L776-I778 HydrophobicContact CD2-CG1 4.02Å; L776-I778 HydrophobicContact CG-CG1 4.31Å; I778-H790 CarbonylContact O-C 3.5Å; I778-H790 WeakPolarHBondContact O-CA 3.45Å; I778-H790 WeakPolarHBondContact O-CB 3.37Å; I778-R791 PolarHBondContact N-O 3.02Å; I778-R791 PolarHBondContact O-N 3.41Å; I778-M793 HydrophobicContact CD1-CE 4.2Å; I778-I805 HydrophobicContact CD1-CD1 3.63Å; I778-L820 HydrophobicContact CG2-CD1 3.51Å
779	A	97.2	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.9	-177.2	0	0	0	0	0	111.5	V728 E729 F781 F787 H790	V728-A779 CarbonylContact C-O 3.57Å; V728-A779 WeakPolarHBondContact CA-O 3.04Å; E729-A779 PolarHBondContact N-O 3Å; E729-A779 PolarHBondContact O-N 3.44Å; A779-F781 HydrophobicContact CB-CE2 3.82Å; A779-F781 HydrophobicContact CB-CZ 4.31Å; A779-F787 HydrophobicContact CB-CE2 4.4Å; A779-H790 HydrophobicContact CB-CB 3.85Å
780	V	97.3	Very high	95	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.8	-174.7	-165.5	0	0	0	0	109.9	L719 Y727 V728 I788 G789 L807 L820	L719-V780 HydrophobicContact CD1-CG1 4.19Å; Y727-V780 WeakPolarHBondContact O-CA 3.42Å; Y727-V780 WeakPolarHBondContact O-CG1 3.41Å; V728-V780 HydrophobicContact CG2-CG1 4.42Å; V728-V780 HydrophobicContact CG2-CG2 4.19Å; V780-I788 HydrophobicContact CB-CB 4.38Å; V780-I788 HydrophobicContact CG1-CD1 4.22Å; V780-I788 WeakPolarHBondContact O-CB 3.49Å; V780-I788 PolarHBondContact O-N 2.85Å; V780-G789 PolarHBondContact N-O 3.13Å; V780-G789 PolarHBondContact O-N 3.22Å; V780-L807 HydrophobicContact CB-CD1 4.14Å; V780-L807 HydrophobicContact CG2-CD1 3.6Å; V780-L807 HydrophobicContact CG2-CD2 3.92Å; V780-L807 HydrophobicContact CG2-CG 4.44Å; V780-L820 HydrophobicContact CG2-CD1 3.73Å; V780-L820 HydrophobicContact CG2-CD2 4.08Å; V780-L820 HydrophobicContact CG2-CG 4.04Å
781	F	96.4	Very high	95.2	Very high	26 Å²	26	26.8 Å²	26.8	11%	0.114	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.1	-174.3	-62.4	-94.3	0	0	0	111.5	T726 Y727 E729 A779 K786 F787	T726-F781 VanDerWaalsContact CA-O 3.25Å; T726-F781 WeakPolarHBondContact CA-O 3.29Å; Y727-F781 HydrophobicContact CD1-CB 4.33Å; Y727-F781 HydrophobicContact CD2-CB 4.19Å; Y727-F781 HydrophobicContact CD2-CD2 4.23Å; Y727-F781 HydrophobicContact CE1-CB 3.78Å; Y727-F781 HydrophobicContact CE2-CB 3.62Å; Y727-F781 AromaticContact CE2-CD2 3.58Å; Y727-F781 HydrophobicContact CE2-CD2 3.58Å; Y727-F781 HydrophobicContact CE2-CE2 4.48Å; Y727-F781 AromaticContact CE2-CG 3.83Å; Y727-F781 HydrophobicContact CE2-CG 3.83Å; Y727-F781 AromaticContact CZ-CG 3.87Å; Y727-F781 PolarHBondContact N-O 3.05Å; Y727-F781 PolarHBondContact O-N 3.34Å; E729-F781 HydrophobicContact CB-CE2 4.15Å; E729-F781 HydrophobicContact CG-CD2 4.05Å; E729-F781 HydrophobicContact CG-CE2 3.85Å; E729-F781 WeakPolarHBondContact OE2-CE2 3.44Å; A779-F781 HydrophobicContact CB-CE2 3.82Å; A779-F781 HydrophobicContact CB-CZ 4.31Å; F781-K786 CarbonylContact C-O 3.6Å; F781-K786 VanDerWaalsContact CA-O 3.26Å; F781-K786 WeakPolarHBondContact CA-O 3.29Å; F781-F787 HydrophobicContact CD1-CB 4.31Å; F781-F787 HydrophobicContact CD1-CD2 4.39Å; F781-F787 HydrophobicContact CE1-CB 4.25Å; F781-F787 AromaticContact CE1-CD2 3.86Å; F781-F787 HydrophobicContact CE1-CD2 3.86Å; F781-F787 HydrophobicContact CZ-CD2 4.14Å
782	E	95.7	Very high	95.3	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	154	164.2	-63.4	179.8	-166.2	0	0	110	T720 K722 V724 G725 G784 G785 K786 I788	T720-E782 HydrophobicContact CG2-CG 4.2Å; T720-E782 PolarHBondContact OG1-OE1 3.46Å; K722-E782 IonicContact NZ-OE1 3.21Å; K722-E782 IonicContact NZ-OE2 3.8Å; K722-E782 PolarHBondContact NZ-OE2 2.88Å; V724-E782 HydrophobicContact CG1-CB 4.2Å; V724-E782 HydrophobicContact CG1-CG 3.89Å; V724-E782 HydrophobicContact CG2-CB 4.45Å; G725-E782 CarbonylContact O-C 3.54Å; E782-G784 PolarHBondContact O-N 2.94Å; E782-G785 WeakPolarHBondContact O-CA 3.33Å; E782-G785 PolarHBondContact O-N 3.07Å; E782-K786 HydrophobicContact CB-CB 4.24Å; E782-K786 PolarHBondContact N-O 2.81Å; E782-K786 IonicContact OE1-NZ 3.07Å; E782-K786 PolarHBondContact OE1-NZ 3Å; E782-K786 WeakPolarHBondContact OE2-CD 3.5Å; E782-K786 IonicContact OE2-NZ 2.73Å; E782-I788 HydrophobicContact CG-CD1 3.77Å; E782-I788 HydrophobicContact CG-CG1 3.82Å
783	E	91.1	Very high	95.5	Very high	115 Å²	115	23 Å²	23	54%	0.537	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	128.7	162.9	-169.8	167.3	-159	0	0	110.3	V724 G725 T748	V724-E783 HydrophobicContact CG2-CB 3.88Å; G725-E783 PolarHBondContact O-N 2.95Å; T748-E783 HydrophobicContact CG2-CB 3.94Å; T748-E783 HydrophobicContact CG2-CG 4.07Å
784	G	89.7	Confident	95.6	Very high	86 Å²	86	23.1 Å²	23.1	89%	0.887	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.9	-6.4	-166.1	0	0	0	0	0	115.1	E782	E782-G784 PolarHBondContact O-N 2.94Å
785	G	91.8	Very high	95.6	Very high	36 Å²	36	23.1 Å²	23.1	37%	0.371	14%	0.141	S	C	.	.	S	Bend	trans	88.3	11.5	168.2	0	0	0	0	0	116	E782 F787	E782-G785 WeakPolarHBondContact O-CA 3.33Å; E782-G785 PolarHBondContact O-N 3.07Å; G785-F787 PolarHBondContact O-N 2.77Å
786	K	94.9	Very high	95.3	Very high	100 Å²	100	24.3 Å²	24.3	44%	0.435	15%	0.149	S	C	.	.			trans	-66.1	131.6	169.4	163.4	175.2	170.1	-60.3	0	109.6	F781 E782	F781-K786 CarbonylContact C-O 3.6Å; F781-K786 VanDerWaalsContact CA-O 3.26Å; F781-K786 WeakPolarHBondContact CA-O 3.29Å; E782-K786 HydrophobicContact CB-CB 4.24Å; E782-K786 PolarHBondContact N-O 2.81Å; E782-K786 IonicContact OE1-NZ 3.07Å; E782-K786 PolarHBondContact OE1-NZ 3Å; E782-K786 WeakPolarHBondContact OE2-CD 3.5Å; E782-K786 IonicContact OE2-NZ 2.73Å
787	F	95.6	Very high	95.1	Very high	33 Å²	33	24.6 Å²	24.6	15%	0.145	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	145.7	174.9	-174.5	-101.3	0	0	0	112.1	A779 F781 G785 G789 H790 E810	A779-F787 HydrophobicContact CB-CE2 4.4Å; F781-F787 HydrophobicContact CD1-CB 4.31Å; F781-F787 HydrophobicContact CD1-CD2 4.39Å; F781-F787 HydrophobicContact CE1-CB 4.25Å; F781-F787 AromaticContact CE1-CD2 3.86Å; F781-F787 HydrophobicContact CE1-CD2 3.86Å; F781-F787 HydrophobicContact CZ-CD2 4.14Å; G785-F787 PolarHBondContact O-N 2.77Å; F787-G789 VanDerWaalsContact CE1-CA 3.49Å; F787-G789 VanDerWaalsContact CZ-C 3.42Å; F787-G789 VanDerWaalsContact CZ-CA 3.46Å; F787-H790 HydrophobicContact CE2-CB 3.96Å; F787-H790 HydrophobicContact CZ-CB 3.82Å; F787-H790 AromaticContact CZ-CG 3.91Å; F787-H790 AromaticContact CZ-ND1 3.79Å; F787-E810 HydrophobicContact CD1-CG 3.73Å; F787-E810 VanDerWaalsContact CD1-OE1 3.27Å; F787-E810 WeakPolarHBondContact CD1-OE1 3.2Å; F787-E810 HydrophobicContact CE1-CB 4.46Å; F787-E810 HydrophobicContact CE1-CG 3.6Å; F787-E810 HydrophobicContact CZ-CG 4.32Å
788	I	95.9	Very high	95	Very high	19 Å²	19	24 Å²	24	10%	0.097	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-54	172.1	-67.7	176.7	0	0	0	110	L719 T720 T726 V780 E782	L719-I788 HydrophobicContact CB-CD1 4.37Å; L719-I788 WeakPolarHBondContact O-CG2 3.37Å; T720-I788 HydrophobicContact CG2-CD1 3.98Å; T726-I788 HydrophobicContact CG2-CD1 3.78Å; V780-I788 HydrophobicContact CB-CB 4.38Å; V780-I788 HydrophobicContact CG1-CD1 4.22Å; V780-I788 WeakPolarHBondContact O-CB 3.49Å; V780-I788 PolarHBondContact O-N 2.85Å; E782-I788 HydrophobicContact CG-CD1 3.77Å; E782-I788 HydrophobicContact CG-CG1 3.82Å
789	G	96.8	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	167.2	-174.2	0	0	0	0	0	112.1	V780 F787 R808	V780-G789 PolarHBondContact N-O 3.13Å; V780-G789 PolarHBondContact O-N 3.22Å; F787-G789 VanDerWaalsContact CE1-CA 3.49Å; F787-G789 VanDerWaalsContact CZ-C 3.42Å; F787-G789 VanDerWaalsContact CZ-CA 3.46Å; G789-R808 CarbonylContact C-O 3.48Å; G789-R808 WeakPolarHBondContact CA-O 3.41Å
790	H	97	Very high	94.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	172.3	-178.3	77.9	-42.9	0	0	0	112.7	I778 A779 F787 R808 N809	I778-H790 CarbonylContact O-C 3.5Å; I778-H790 WeakPolarHBondContact O-CA 3.45Å; I778-H790 WeakPolarHBondContact O-CB 3.37Å; A779-H790 HydrophobicContact CB-CB 3.85Å; F787-H790 HydrophobicContact CE2-CB 3.96Å; F787-H790 HydrophobicContact CZ-CB 3.82Å; F787-H790 AromaticContact CZ-CG 3.91Å; F787-H790 AromaticContact CZ-ND1 3.79Å; H790-R808 PolarHBondContact N-O 3.1Å; H790-R808 PolarHBondContact ND1-O 3.36Å; H790-R808 VanDerWaalsContact ND1-O 3.16Å; H790-R808 WeakPolarHBondContact O-CA 3.39Å; H790-R808 WeakPolarHBondContact O-CB 3.43Å; H790-R808 PolarHBondContact O-N 3Å; H790-N809 PolarHBondContact CE1-O 3.36Å; H790-N809 PolarHBondContact ND1-O 2.72Å
791	R	97.3	Very high	94.8	Very high	13 Å²	13	27 Å²	27	5%	0.049	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.7	163.8	-167.2	70.4	172.6	126.8	-2.7	109.6	N146 E672 R777 I778 M793 I805 R808	N146-R791 PolarHBondContact OD1-NH2 3.49Å; E672-R791 IonicContact OE1-NH1 2.85Å; E672-R791 IonicContact OE2-CZ 2.8Å; E672-R791 IonicContact OE2-NH1 3.66Å; E672-R791 PolarHBondContact OE2-NH1 2.89Å; E672-R791 IonicContact OE2-NH2 3.4Å; R777-R791 WeakPolarHBondContact CA-O 3.28Å; I778-R791 PolarHBondContact N-O 3.02Å; I778-R791 PolarHBondContact O-N 3.41Å; R791-M793 HydrophobicContact CG-CG 3.8Å; R791-M793 HydrophobicContact CG-SD 3.98Å; R791-I805 HydrophobicContact CB-CG2 3.5Å; R791-I805 VanDerWaalsContact CB-CG2 3.5Å; R791-I805 HydrophobicContact CG-CG2 3.82Å; R791-R808 VanDerWaalsContact NH1-CZ 3.26Å
792	I	96.8	Very high	94.9	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130	176.6	-58.6	178.4	0	0	0	108.3	Q665 L666 Y673 L776 R777	Q665-I792 HydrophobicContact CB-CD1 4.19Å; Q665-I792 WeakPolarHBondContact O-CD1 3.43Å; L666-I792 HydrophobicContact CD2-CD1 4.14Å; L666-I792 HydrophobicContact CD2-CG2 4.47Å; L666-I792 HydrophobicContact CG-CD1 4.4Å; Y673-I792 PolarHBondContact OH-O 3.43Å; Y673-I792 VanDerWaalsContact OH-O 3.12Å; L776-I792 WeakPolarHBondContact O-CA 3.27Å; R777-I792 HydrophobicContact CB-CG1 4.08Å; R777-I792 HydrophobicContact CG-CD1 4.47Å; R777-I792 HydrophobicContact CG-CG1 3.96Å
793	M	96.3	Very high	94.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	120.2	-167.9	-59.5	-178.4	-65.2	0	0	110.6	I307 I308 S775 L776 I778 R791 I798 I805	I307-M793 HydrophobicContact CD1-CE 3.98Å; I307-M793 HydrophobicContact CD1-SD 3.83Å; I307-M793 HydrophobicContact CG1-SD 4.2Å; I307-M793 HydrophobicContact CG2-SD 4.04Å; I308-M793 HydrophobicContact CD1-CB 4.14Å; I308-M793 HydrophobicContact CD1-CG 4.06Å; I308-M793 HydrophobicContact CD1-SD 4.23Å; S775-M793 WeakPolarHBondContact CA-O 3.37Å; L776-M793 HydrophobicContact CD2-CE 4.15Å; L776-M793 PolarHBondContact N-O 3.21Å; L776-M793 PolarHBondContact O-N 2.93Å; I778-M793 HydrophobicContact CD1-CE 4.2Å; R791-M793 HydrophobicContact CG-CG 3.8Å; R791-M793 HydrophobicContact CG-SD 3.98Å; M793-I798 HydrophobicContact CB-CD1 3.82Å; M793-I798 HydrophobicContact CB-CG1 3.61Å; M793-I798 HydrophobicContact CE-CD1 4.33Å; M793-I798 HydrophobicContact CE-CG1 4.45Å; M793-I798 HydrophobicContact SD-CG1 4.42Å; M793-I805 HydrophobicContact CE-CD1 3.82Å
794	P	95.1	Very high	95.2	Very high	13 Å²	13	21.9 Å²	21.9	8%	0.084	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	135	172.7	-23.6	33.9	0	0	0	111.2	Y673 S796 A797 I798	Y673-P794 HydrophobicContact CD1-CG 4.41Å; Y673-P794 HydrophobicContact CD2-CG 4.02Å; Y673-P794 HydrophobicContact CE1-CG 4.25Å; Y673-P794 VanDerWaalsContact CE2-CD 3.47Å; Y673-P794 HydrophobicContact CE2-CG 3.88Å; Y673-P794 HydrophobicContact CG-CG 4.32Å; Y673-P794 WeakPolarHBondContact OH-CD 3.49Å; P794-S796 PolarHBondContact O-N 2.92Å; P794-A797 HydrophobicContact CB-CB 4.16Å; P794-A797 HydrophobicContact CG-CB 4.5Å; P794-A797 PolarHBondContact O-N 2.87Å; P794-I798 PolarHBondContact O-N 3.3Å
795	V	95.1	Very high	95.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.1	-177.1	179	0	0	0	0	111.5	R258 L709 M732 P771 A774 A797 V826	R258-V795 PolarHBondContact NH1-O 3.38Å; R258-V795 PolarHBondContact NH2-O 2.94Å; L709-V795 HydrophobicContact CD2-CG1 4.42Å; L709-V795 HydrophobicContact CD2-CG2 4.19Å; M732-V795 HydrophobicContact CE-CG2 4.16Å; P771-V795 HydrophobicContact CB-CB 4.47Å; P771-V795 HydrophobicContact CB-CG1 4.14Å; A774-V795 HydrophobicContact CB-CB 4.35Å; A774-V795 HydrophobicContact CB-CG2 3.86Å; A774-V795 PolarHBondContact O-N 3.18Å; V795-A797 VanDerWaalsContact C-N 3.26Å; V795-A797 PolarHBondContact O-N 3.46Å; V795-V826 HydrophobicContact CG1-CG1 4.48Å
796	S	91.5	Very high	95.8	Very high	43 Å²	43	17 Å²	17	30%	0.301	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.5	171.4	59.3	0	0	0	0	115.9	P771 P794	P771-S796 PolarHBondContact O-N 3.46Å; P794-S796 PolarHBondContact O-N 2.92Å
797	A	92.2	Very high	95.9	Very high	6 Å²	6	12.3 Å²	12.3	5%	0.05	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-16.1	-178.4	0	0	0	0	0	114.3	I308 P309 K312 Y673 P794 V795 R799	I308-A797 HydrophobicContact CD1-CB 4.33Å; P309-A797 WeakPolarHBondContact CD-O 3.29Å; K312-A797 HydrophobicContact CB-CB 4.14Å; K312-A797 HydrophobicContact CD-CB 4.48Å; K312-A797 HydrophobicContact CG-CB 4.07Å; Y673-A797 HydrophobicContact CE1-CB 4.46Å; P794-A797 HydrophobicContact CB-CB 4.16Å; P794-A797 HydrophobicContact CG-CB 4.5Å; P794-A797 PolarHBondContact O-N 2.87Å; V795-A797 VanDerWaalsContact C-N 3.26Å; V795-A797 PolarHBondContact O-N 3.46Å; A797-R799 PolarHBondContact O-N 3.04Å
798	I	94.8	Very high	95.8	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.056	C	C	.	.			trans	-68.7	125.6	177.6	-65	166.5	0	0	0	110.7	R258 I307 L776 M793 P794 V824 V826	R258-I798 PolarHBondContact NH2-O 3.41Å; I307-I798 HydrophobicContact CD1-CG2 4.45Å; I307-I798 HydrophobicContact CG1-CG2 4.27Å; L776-I798 HydrophobicContact CB-CD1 3.88Å; L776-I798 HydrophobicContact CD2-CD1 4.03Å; M793-I798 HydrophobicContact CB-CD1 3.82Å; M793-I798 HydrophobicContact CB-CG1 3.61Å; M793-I798 HydrophobicContact CE-CD1 4.33Å; M793-I798 HydrophobicContact CE-CG1 4.45Å; M793-I798 HydrophobicContact SD-CG1 4.42Å; P794-I798 PolarHBondContact O-N 3.3Å; I798-V824 HydrophobicContact CG2-CG1 3.84Å; I798-V826 HydrophobicContact CG2-CG2 4.22Å
799	R	94.4	Very high	95.7	Very high	56 Å²	56	10.8 Å²	10.8	21%	0.211	6%	0.056	C	C	.	.			trans	-83	140.1	165.9	-69.8	167.5	166.2	177.9	-0.6	111	E304 S306 I307 P309 E311 A797	E304-R799 PolarHBondContact O-NH1 2.83Å; S306-R799 WeakPolarHBondContact O-CD 3.27Å; S306-R799 PolarHBondContact O-NH1 3.31Å; S306-R799 VanDerWaalsContact O-NH1 3.17Å; I307-R799 PolarHBondContact O-N 2.83Å; P309-R799 HydrophobicContact CG-CG 4.05Å; E311-R799 IonicContact OE2-NH2 2.71Å; A797-R799 PolarHBondContact O-N 3.04Å
800	P	96	Very high	95.5	Very high	6 Å²	6	14 Å²	14	4%	0.039	7%	0.071	C	C	.	.			trans	-78.3	-177.4	173.9	34.9	-36.6	0	0	0	112.8	R255 D256 R803 V824 V826	R255-P800 VanDerWaalsContact O-CG 3.27Å; R255-P800 WeakPolarHBondContact O-CG 3.42Å; D256-P800 HydrophobicContact CB-CG 4.2Å; P800-R803 VanDerWaalsContact O-CZ 3.27Å; P800-R803 PolarHBondContact O-NE 3.24Å; P800-R803 PolarHBondContact O-NH2 3.14Å; P800-V824 CarbonylContact C-O 3.56Å; P800-V824 WeakPolarHBondContact CA-O 3.08Å; P800-V824 WeakPolarHBondContact CB-O 3.26Å; P800-V826 HydrophobicContact CB-CG2 4.29Å
801	G	96.9	Very high	95.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94	-168.3	-179.5	0	0	0	0	0	113.4	K253 Q254 Y823 V824	K253-G801 WeakPolarHBondContact O-CA 3.29Å; K253-G801 PolarHBondContact O-N 3.24Å; Q254-G801 VanDerWaalsContact OE1-CA 3.22Å; G801-Y823 WeakPolarHBondContact O-CA 3.48Å; G801-V824 PolarHBondContact N-O 2.96Å; G801-V824 PolarHBondContact O-N 2.87Å
802	Y	97.7	Very high	94.9	Very high	20 Å²	20	16.4 Å²	16.4	8%	0.078	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.4	174.1	-63.1	-86	0	0	0	110.2	I229 F249 Q254 N305 F821 V822 Y823	I229-Y802 HydrophobicContact CD1-CD1 3.49Å; I229-Y802 VanDerWaalsContact CD1-CD1 3.49Å; I229-Y802 HydrophobicContact CD1-CE1 3.37Å; I229-Y802 HydrophobicContact CD1-CG 4.28Å; I229-Y802 HydrophobicContact CG1-CD1 4.23Å; I229-Y802 HydrophobicContact CG1-CE1 3.66Å; I229-Y802 HydrophobicContact CG2-CD2 4.25Å; I229-Y802 HydrophobicContact CG2-CE1 4.39Å; I229-Y802 HydrophobicContact CG2-CE2 4.01Å; F249-Y802 AromaticContact CE2-CD2 3.8Å; F249-Y802 HydrophobicContact CE2-CD2 3.8Å; F249-Y802 HydrophobicContact CE2-CE2 4.12Å; F249-Y802 HydrophobicContact CZ-CD2 4Å; Q254-Y802 PolarHBondContact NE2-O 3.17Å; N305-Y802 PolarHBondContact ND2-O 3.27Å; Y802-F821 HydrophobicContact CD1-CE1 4.26Å; Y802-F821 AromaticContact CD1-CZ 3.99Å; Y802-F821 HydrophobicContact CD1-CZ 3.99Å; Y802-F821 HydrophobicContact CG-CZ 4.3Å; Y802-V822 WeakPolarHBondContact CA-O 3.37Å; Y802-Y823 AromaticContact CD1-CD2 3.9Å; Y802-Y823 HydrophobicContact CD1-CD2 3.9Å; Y802-Y823 HydrophobicContact CD1-CG 4.33Å; Y802-Y823 AromaticContact CD2-CD2 3.78Å; Y802-Y823 HydrophobicContact CD2-CD2 3.78Å; Y802-Y823 HydrophobicContact CD2-CE2 4.22Å; Y802-Y823 AromaticContact CE1-CD2 3.73Å; Y802-Y823 HydrophobicContact CE1-CD2 3.73Å; Y802-Y823 HydrophobicContact CE1-CG 4.06Å; Y802-Y823 AromaticContact CE2-CD2 3.6Å; Y802-Y823 HydrophobicContact CE2-CD2 3.6Å; Y802-Y823 AromaticContact CE2-CE2 3.83Å; Y802-Y823 HydrophobicContact CE2-CE2 3.83Å; Y802-Y823 AromaticContact CG-CD2 3.93Å; Y802-Y823 HydrophobicContact CG-CD2 3.93Å; Y802-Y823 AromaticContact CZ-CD2 3.58Å
803	R	96.9	Very high	94.6	Very high	8 Å²	8	17.3 Å²	17.3	3%	0.03	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.7	-170.8	-59	-65.5	175.6	177.2	-7	111.6	Q254 N305 S306 I307 P800 F821 V822	Q254-R803 PolarHBondContact O-NH2 3.4Å; N305-R803 WeakPolarHBondContact O-CD 3.43Å; N305-R803 PolarHBondContact O-NH1 3.26Å; N305-R803 PolarHBondContact OD1-NH1 3.2Å; S306-R803 PolarHBondContact O-NH1 2.98Å; I307-R803 HydrophobicContact CB-CB 3.99Å; I307-R803 HydrophobicContact CB-CG 4.14Å; I307-R803 HydrophobicContact CD1-CB 4.07Å; I307-R803 HydrophobicContact CD1-CG 4.38Å; I307-R803 HydrophobicContact CG1-CB 4.16Å; I307-R803 HydrophobicContact CG1-CG 4.1Å; P800-R803 VanDerWaalsContact O-CZ 3.27Å; P800-R803 PolarHBondContact O-NE 3.24Å; P800-R803 PolarHBondContact O-NH2 3.14Å; R803-F821 WeakPolarHBondContact O-CD2 3.34Å; R803-V822 HydrophobicContact CB-CG2 4.22Å; R803-V822 PolarHBondContact N-O 2.98Å; R803-V822 PolarHBondContact O-N 2.61Å
804	Y	97.3	Very high	94.3	Very high	16 Å²	16	18 Å²	18	6%	0.063	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	146.3	161.8	-68.3	-70.6	0	0	0	111.5	R149 R223 L300 N301 L820 F821	R149-Y804 HydrophobicContact CB-CD2 3.9Å; R149-Y804 HydrophobicContact CB-CG 4.02Å; R149-Y804 HydrophobicContact CG-CD1 4.39Å; R149-Y804 HydrophobicContact CG-CD2 4.05Å; R149-Y804 HydrophobicContact CG-CE2 4.43Å; R149-Y804 HydrophobicContact CG-CG 4.03Å; R223-Y804 PolarHBondContact NH1-OH 3.31Å; R223-Y804 PolarHBondContact NH2-OH 2.87Å; R223-Y804 VanDerWaalsContact NH2-OH 3.16Å; L300-Y804 HydrophobicContact CB-CE2 4.01Å; L300-Y804 VanDerWaalsContact O-CD2 3.22Å; L300-Y804 WeakPolarHBondContact O-CD2 3.06Å; L300-Y804 WeakPolarHBondContact O-CE2 3.35Å; N301-Y804 HydrophobicContact CB-CE2 4.48Å; N301-Y804 WeakPolarHBondContact OD1-CE2 3.34Å; N301-Y804 PolarHBondContact OD1-OH 2.93Å; Y804-L820 CarbonylContact C-O 3.37Å; Y804-L820 WeakPolarHBondContact CA-O 3.27Å; Y804-F821 HydrophobicContact CD1-CB 3.96Å; Y804-F821 AromaticContact CD1-CD2 3.68Å; Y804-F821 HydrophobicContact CD1-CD2 3.68Å; Y804-F821 HydrophobicContact CD1-CG 4.24Å; Y804-F821 HydrophobicContact CD2-CD2 4.42Å; Y804-F821 HydrophobicContact CE1-CB 3.71Å; Y804-F821 AromaticContact CE1-CD2 3.35Å; Y804-F821 HydrophobicContact CE1-CD2 3.35Å; Y804-F821 HydrophobicContact CE1-CE2 4.21Å; Y804-F821 AromaticContact CE1-CG 3.77Å; Y804-F821 HydrophobicContact CE1-CG 3.77Å; Y804-F821 HydrophobicContact CE2-CD2 4.16Å; Y804-F821 HydrophobicContact CE2-CE2 4.31Å; Y804-F821 HydrophobicContact CG-CD2 4.2Å; Y804-F821 AromaticContact CZ-CD2 3.64Å
805	I	97.3	Very high	94.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	98.5	170.2	-57.5	-178.8	0	0	0	107.1	I307 I778 R791 M793 L807 A819 L820 V822	I307-I805 HydrophobicContact CD1-CD1 3.78Å; I307-I805 HydrophobicContact CD1-CG1 3.73Å; I307-I805 HydrophobicContact CG2-CG1 4.47Å; I778-I805 HydrophobicContact CD1-CD1 3.63Å; R791-I805 HydrophobicContact CB-CG2 3.5Å; R791-I805 VanDerWaalsContact CB-CG2 3.5Å; R791-I805 HydrophobicContact CG-CG2 3.82Å; M793-I805 HydrophobicContact CE-CD1 3.82Å; I805-L807 HydrophobicContact CG2-CD2 4.48Å; I805-L807 PolarHBondContact O-N 2.96Å; I805-A819 CarbonylContact O-C 3.56Å; I805-A819 VanDerWaalsContact O-CA 3.3Å; I805-A819 WeakPolarHBondContact O-CA 3.47Å; I805-L820 HydrophobicContact CB-CB 4.44Å; I805-L820 PolarHBondContact N-O 2.79Å; I805-L820 PolarHBondContact O-N 3.04Å; I805-V822 HydrophobicContact CD1-CG1 4.04Å; I805-V822 HydrophobicContact CD1-CG2 3.76Å; I805-V822 HydrophobicContact CG1-CG2 4.03Å
806	S	96	Very high	94.1	Very high	19 Å²	19	20.4 Å²	20.4	13%	0.133	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	122.2	166.3	-57.2	0	0	0	0	108.5
807	L	96.6	Very high	94.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	157.9	-175.4	-64.1	173.1	0	0	0	111.1	L719 V780 I805 L815 P818 L820	L719-L807 HydrophobicContact CD2-CD1 3.87Å; V780-L807 HydrophobicContact CB-CD1 4.14Å; V780-L807 HydrophobicContact CG2-CD1 3.6Å; V780-L807 HydrophobicContact CG2-CD2 3.92Å; V780-L807 HydrophobicContact CG2-CG 4.44Å; I805-L807 HydrophobicContact CG2-CD2 4.48Å; I805-L807 PolarHBondContact O-N 2.96Å; L807-L815 HydrophobicContact CB-CD1 4.11Å; L807-L815 VanDerWaalsContact O-CB 3.28Å; L807-L815 WeakPolarHBondContact O-CB 3.41Å; L807-L815 WeakPolarHBondContact O-CG 3.35Å; L807-L815 PolarHBondContact O-N 3.17Å; L807-P818 HydrophobicContact CB-CB 4.19Å; L807-P818 WeakPolarHBondContact CB-O 3.22Å; L807-P818 HydrophobicContact CD1-CB 3.97Å; L807-P818 PolarHBondContact N-O 3.48Å; L807-L820 HydrophobicContact CD1-CG 4.44Å; L807-L820 HydrophobicContact CD2-CD1 4.25Å; L807-L820 HydrophobicContact CD2-CG 4.23Å
808	R	94.9	Very high	94.4	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.015	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.3	-177.4	-58.1	-158.7	157.5	177.9	15.7	112.1	Q145 N146 E672 G789 H790 R791 N812 Q813	Q145-R808 PolarHBondContact O-NH2 2.91Å; N146-R808 VanDerWaalsContact CG-NH2 3.25Å; N146-R808 PolarHBondContact ND2-NH2 3.32Å; N146-R808 PolarHBondContact OD1-NH2 3.12Å; E672-R808 IonicContact OE1-CZ 3.36Å; E672-R808 IonicContact OE1-NH1 3.66Å; E672-R808 PolarHBondContact OE1-NH1 3.45Å; E672-R808 IonicContact OE1-NH2 3.56Å; E672-R808 PolarHBondContact OE1-NH2 2.82Å; E672-R808 IonicContact OE2-CZ 3.12Å; E672-R808 IonicContact OE2-NH1 2.91Å; E672-R808 PolarHBondContact OE2-NH1 3.41Å; E672-R808 IonicContact OE2-NH2 3.24Å; G789-R808 CarbonylContact C-O 3.48Å; G789-R808 WeakPolarHBondContact CA-O 3.41Å; H790-R808 PolarHBondContact N-O 3.1Å; H790-R808 PolarHBondContact ND1-O 3.36Å; H790-R808 VanDerWaalsContact ND1-O 3.16Å; H790-R808 WeakPolarHBondContact O-CA 3.39Å; H790-R808 WeakPolarHBondContact O-CB 3.43Å; H790-R808 PolarHBondContact O-N 3Å; R791-R808 VanDerWaalsContact NH1-CZ 3.26Å; R808-N812 WeakPolarHBondContact CD-O 3.44Å; R808-N812 WeakPolarHBondContact CD-OD1 3.4Å; R808-N812 PolarHBondContact NH1-ND2 3.37Å; R808-N812 PolarHBondContact NH1-O 2.69Å; R808-N812 PolarHBondContact NH1-OD1 3.42Å; R808-N812 VanDerWaalsContact NH1-OD1 3.11Å; R808-Q813 CarbonylContact C-O 3.54Å; R808-Q813 WeakPolarHBondContact CA-O 3.47Å; R808-Q813 WeakPolarHBondContact CB-O 3.49Å
809	N	93.1	Very high	94.6	Very high	16 Å²	16	19.7 Å²	19.7	9%	0.086	10%	0.096	C	C	.	.			trans	-62.7	175.5	172.7	70.1	7.7	0	0	0	111.2	H790 K811 N812 Q813 L815	H790-N809 PolarHBondContact CE1-O 3.36Å; H790-N809 PolarHBondContact ND1-O 2.72Å; N809-K811 PolarHBondContact O-N 2.87Å; N809-K811 WeakPolarHBondContact OD1-CA 3.33Å; N809-K811 WeakPolarHBondContact OD1-CB 3.39Å; N809-K811 PolarHBondContact OD1-N 2.97Å; N809-N812 PolarHBondContact O-N 3.06Å; N809-N812 PolarHBondContact OD1-N 2.7Å; N809-Q813 PolarHBondContact N-O 2.8Å; N809-Q813 PolarHBondContact ND2-OE1 3.07Å; N809-Q813 PolarHBondContact OD1-N 3.2Å; N809-L815 HydrophobicContact CB-CD2 4.15Å
810	E	91.6	Very high	94.7	Very high	69 Å²	69	17 Å²	17	32%	0.322	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.2	178.5	-53	84.3	167.6	0	0	112.6	I660 Q665 F787	I660-E810 HydrophobicContact CG2-CB 3.68Å; I660-E810 WeakPolarHBondContact CG2-O 3.41Å; Q665-E810 VanDerWaalsContact CG-O 3.24Å; Q665-E810 WeakPolarHBondContact CG-O 3.22Å; F787-E810 HydrophobicContact CD1-CG 3.73Å; F787-E810 VanDerWaalsContact CD1-OE1 3.27Å; F787-E810 WeakPolarHBondContact CD1-OE1 3.2Å; F787-E810 HydrophobicContact CE1-CB 4.46Å; F787-E810 HydrophobicContact CE1-CG 3.6Å; F787-E810 HydrophobicContact CZ-CG 4.32Å
811	K	89.9	Confident	94.8	Very high	46 Å²	46	16.7 Å²	16.7	20%	0.2	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	14.7	-170	-50.7	157.7	-170.3	-163	0	111.6	T110 D111 I660 N809 Q813	T110-K811 WeakPolarHBondContact O-CD 3.48Å; T110-K811 PolarHBondContact OG1-NZ 2.78Å; D111-K811 HydrophobicContact CB-CD 3.7Å; D111-K811 HydrophobicContact CB-CG 4.32Å; D111-K811 IonicContact OD2-NZ 3.77Å; D111-K811 PolarHBondContact OD2-NZ 3.09Å; I660-K811 HydrophobicContact CG1-CG 4.28Å; I660-K811 HydrophobicContact CG2-CG 3.96Å; N809-K811 PolarHBondContact O-N 2.87Å; N809-K811 WeakPolarHBondContact OD1-CA 3.33Å; N809-K811 WeakPolarHBondContact OD1-CB 3.39Å; N809-K811 PolarHBondContact OD1-N 2.97Å; K811-Q813 PolarHBondContact O-N 3.37Å
812	N	92.9	Very high	94.8	Very high	16 Å²	16	16.7 Å²	16.7	9%	0.086	8%	0.084	C	C	.	.	S	Bend	trans	53.8	27.1	-175.1	-160	28.2	0	0	0	115.3	L668 E672 R808 N809	L668-N812 HydrophobicContact CB-CB 3.9Å; L668-N812 PolarHBondContact O-ND2 3.01Å; E672-N812 PolarHBondContact OE2-ND2 2.82Å; R808-N812 WeakPolarHBondContact CD-O 3.44Å; R808-N812 WeakPolarHBondContact CD-OD1 3.4Å; R808-N812 PolarHBondContact NH1-ND2 3.37Å; R808-N812 PolarHBondContact NH1-O 2.69Å; R808-N812 PolarHBondContact NH1-OD1 3.42Å; R808-N812 VanDerWaalsContact NH1-OD1 3.11Å; N809-N812 PolarHBondContact O-N 3.06Å; N809-N812 PolarHBondContact OD1-N 2.7Å
813	Q	90.3	Very high	94.8	Very high	23 Å²	23	17.3 Å²	17.3	11%	0.107	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-91.4	143.6	169.9	-62.3	172.2	-57	0	0	111.2	T67 T110 R808 N809 K811 L815	T67-Q813 PolarHBondContact O-NE2 3.4Å; T110-Q813 PolarHBondContact O-OE1 2.86Å; R808-Q813 CarbonylContact C-O 3.54Å; R808-Q813 WeakPolarHBondContact CA-O 3.47Å; R808-Q813 WeakPolarHBondContact CB-O 3.49Å; N809-Q813 PolarHBondContact N-O 2.8Å; N809-Q813 PolarHBondContact ND2-OE1 3.07Å; N809-Q813 PolarHBondContact OD1-N 3.2Å; K811-Q813 PolarHBondContact O-N 3.37Å; Q813-L815 PolarHBondContact O-N 2.88Å
814	S	90.3	Very high	94.8	Very high	14 Å²	14	17 Å²	17	10%	0.098	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.6	-179.3	-158.9	0	0	0	0	113.1
815	L	92.6	Very high	94.8	Very high	32 Å²	32	20 Å²	20	17%	0.168	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	150.3	165.8	-56.3	171.7	0	0	0	109	L807 N809 Q813 P818	L807-L815 HydrophobicContact CB-CD1 4.11Å; L807-L815 VanDerWaalsContact O-CB 3.28Å; L807-L815 WeakPolarHBondContact O-CB 3.41Å; L807-L815 WeakPolarHBondContact O-CG 3.35Å; L807-L815 PolarHBondContact O-N 3.17Å; N809-L815 HydrophobicContact CB-CD2 4.15Å; Q813-L815 PolarHBondContact O-N 2.88Å; L815-P818 HydrophobicContact CB-CB 4.33Å; L815-P818 HydrophobicContact CB-CG 4.09Å; L815-P818 HydrophobicContact CD1-CB 4.1Å; L815-P818 HydrophobicContact CD1-CG 4.09Å
816	M	92.4	Very high	94.6	Very high	33 Å²	33	20 Å²	20	16%	0.163	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-39.4	-171.8	-172	-178	76.8	0	0	113.5	C152 K155 A156 M178	C152-M816 WeakPolarHBondContact CB-O 3.4Å; K155-M816 HydrophobicContact CG-CG 4.21Å; K155-M816 HydrophobicContact CG-SD 4.19Å; A156-M816 HydrophobicContact CB-CE 3.76Å; A156-M816 HydrophobicContact CB-CG 4.32Å; A156-M816 HydrophobicContact CB-SD 4.13Å; M178-M816 HydrophobicContact CE-CE 3.93Å; M178-M816 HydrophobicContact CG-CE 4.44Å; M178-M816 HydrophobicContact SD-CE 4.09Å
817	L	94.7	Very high	94.5	Very high	14 Å²	14	24.3 Å²	24.3	7%	0.073	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-38.9	-175.2	-69.7	177.5	0	0	0	114.9	R149 L153 A156 M178 F179 F718 A819	R149-L817 VanDerWaalsContact CZ-O 3.28Å; R149-L817 PolarHBondContact NH1-O 3.17Å; R149-L817 PolarHBondContact NH2-O 3.48Å; L153-L817 HydrophobicContact CD2-CD2 4.16Å; A156-L817 HydrophobicContact CB-CD2 3.73Å; A156-L817 HydrophobicContact CB-CG 4.42Å; M178-L817 HydrophobicContact CG-CD1 3.66Å; M178-L817 HydrophobicContact SD-CD1 4.33Å; F179-L817 HydrophobicContact CD1-CD1 4.35Å; F179-L817 HydrophobicContact CE1-CD1 3.83Å; F179-L817 HydrophobicContact CE1-CD2 4.35Å; F179-L817 HydrophobicContact CZ-CD1 4.18Å; F718-L817 HydrophobicContact CB-CB 3.8Å; F718-L817 HydrophobicContact CD2-CB 4.45Å; F718-L817 HydrophobicContact CD2-CD2 4.28Å; F718-L817 HydrophobicContact CG-CB 4.45Å; L817-A819 PolarHBondContact O-N 3.04Å
818	P	96.8	Very high	94.3	Very high	20 Å²	20	27.7 Å²	27.7	13%	0.13	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	117.9	177.8	-26.9	35.5	0	0	0	113.6	Q717 F718 L719 L807 L815	Q717-P818 WeakPolarHBondContact O-CA 3.31Å; F718-P818 WeakPolarHBondContact O-CG 3.37Å; L719-P818 WeakPolarHBondContact O-CG 3.34Å; L807-P818 HydrophobicContact CB-CB 4.19Å; L807-P818 WeakPolarHBondContact CB-O 3.22Å; L807-P818 HydrophobicContact CD1-CB 3.97Å; L807-P818 PolarHBondContact N-O 3.48Å; L815-P818 HydrophobicContact CB-CB 4.33Å; L815-P818 HydrophobicContact CB-CG 4.09Å; L815-P818 HydrophobicContact CD1-CB 4.1Å; L815-P818 HydrophobicContact CD1-CG 4.09Å
819	A	97.5	Very high	94.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	153.5	174.4	0	0	0	0	0	111.9	G716 Q717 L719 I805 L817	G716-A819 CarbonylContact C-O 3.57Å; G716-A819 WeakPolarHBondContact CA-O 3.48Å; Q717-A819 PolarHBondContact N-O 2.98Å; Q717-A819 PolarHBondContact O-N 3.2Å; Q717-A819 VanDerWaalsContact O-N 3.12Å; L719-A819 WeakPolarHBondContact CD2-O 3.47Å; I805-A819 CarbonylContact O-C 3.56Å; I805-A819 VanDerWaalsContact O-CA 3.3Å; I805-A819 WeakPolarHBondContact O-CA 3.47Å; L817-A819 PolarHBondContact O-N 3.04Å
820	L	97.8	Very high	93.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	150.5	166.9	-65.6	176.7	0	0	0	110.8	L719 V728 W758 I778 V780 Y804 I805 L807 V822	L719-L820 HydrophobicContact CD2-CD2 4.26Å; V728-L820 HydrophobicContact CG1-CD1 3.98Å; V728-L820 HydrophobicContact CG2-CD1 4.11Å; V728-L820 HydrophobicContact CG2-CD2 3.91Å; W758-L820 HydrophobicContact CH2-CD2 4.28Å; W758-L820 HydrophobicContact CZ3-CD2 3.83Å; I778-L820 HydrophobicContact CG2-CD1 3.51Å; V780-L820 HydrophobicContact CG2-CD1 3.73Å; V780-L820 HydrophobicContact CG2-CD2 4.08Å; V780-L820 HydrophobicContact CG2-CG 4.04Å; Y804-L820 CarbonylContact C-O 3.37Å; Y804-L820 WeakPolarHBondContact CA-O 3.27Å; I805-L820 HydrophobicContact CB-CB 4.44Å; I805-L820 PolarHBondContact N-O 2.79Å; I805-L820 PolarHBondContact O-N 3.04Å; L807-L820 HydrophobicContact CD1-CG 4.44Å; L807-L820 HydrophobicContact CD2-CD1 4.25Å; L807-L820 HydrophobicContact CD2-CG 4.23Å; L820-V822 HydrophobicContact CB-CG1 4.3Å
821	F	97.7	Very high	93.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.7	165.3	-172.5	-124.2	0	0	0	108.8	E225 L226 I229 L300 V714 S715 Y802 R803 Y804	E225-F821 HydrophobicContact CG-CD1 3.98Å; E225-F821 HydrophobicContact CG-CE1 4.09Å; L226-F821 HydrophobicContact CD2-CD1 4.28Å; L226-F821 HydrophobicContact CD2-CE1 3.46Å; L226-F821 VanDerWaalsContact CD2-CE1 3.46Å; L226-F821 HydrophobicContact CD2-CE2 4.28Å; L226-F821 HydrophobicContact CD2-CZ 3.46Å; L226-F821 VanDerWaalsContact CD2-CZ 3.46Å; I229-F821 HydrophobicContact CD1-CE1 3.62Å; I229-F821 HydrophobicContact CD1-CZ 3.94Å; L300-F821 HydrophobicContact CD1-CE2 4.34Å; L300-F821 HydrophobicContact CD1-CZ 4.12Å; V714-F821 HydrophobicContact CB-CD1 4Å; V714-F821 WeakPolarHBondContact CB-O 3.35Å; V714-F821 HydrophobicContact CG1-CD1 4.08Å; V714-F821 HydrophobicContact CG1-CE1 4.43Å; V714-F821 PolarHBondContact N-O 3.16Å; S715-F821 PolarHBondContact N-O 2.66Å; S715-F821 VanDerWaalsContact N-O 3.16Å; S715-F821 PolarHBondContact O-N 3.35Å; S715-F821 WeakPolarHBondContact OG-CB 2.87Å; Y802-F821 HydrophobicContact CD1-CE1 4.26Å; Y802-F821 AromaticContact CD1-CZ 3.99Å; Y802-F821 HydrophobicContact CD1-CZ 3.99Å; Y802-F821 HydrophobicContact CG-CZ 4.3Å; R803-F821 WeakPolarHBondContact O-CD2 3.34Å; Y804-F821 HydrophobicContact CD1-CB 3.96Å; Y804-F821 AromaticContact CD1-CD2 3.68Å; Y804-F821 HydrophobicContact CD1-CD2 3.68Å; Y804-F821 HydrophobicContact CD1-CG 4.24Å; Y804-F821 HydrophobicContact CD2-CD2 4.42Å; Y804-F821 HydrophobicContact CE1-CB 3.71Å; Y804-F821 AromaticContact CE1-CD2 3.35Å; Y804-F821 HydrophobicContact CE1-CD2 3.35Å; Y804-F821 HydrophobicContact CE1-CE2 4.21Å; Y804-F821 AromaticContact CE1-CG 3.77Å; Y804-F821 HydrophobicContact CE1-CG 3.77Å; Y804-F821 HydrophobicContact CE2-CD2 4.16Å; Y804-F821 HydrophobicContact CE2-CE2 4.31Å; Y804-F821 HydrophobicContact CG-CD2 4.2Å; Y804-F821 AromaticContact CZ-CD2 3.64Å
822	V	97.3	Very high	93.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.1	-173.2	-59	0	0	0	0	110.7	I307 K712 I713 Y802 R803 I805 L820 V824	I307-V822 HydrophobicContact CD1-CG2 4.4Å; K712-V822 WeakPolarHBondContact O-CA 3.3Å; I713-V822 HydrophobicContact CD1-CG1 3.69Å; Y802-V822 WeakPolarHBondContact CA-O 3.37Å; R803-V822 HydrophobicContact CB-CG2 4.22Å; R803-V822 PolarHBondContact N-O 2.98Å; R803-V822 PolarHBondContact O-N 2.61Å; I805-V822 HydrophobicContact CD1-CG1 4.04Å; I805-V822 HydrophobicContact CD1-CG2 3.76Å; I805-V822 HydrophobicContact CG1-CG2 4.03Å; L820-V822 HydrophobicContact CB-CG1 4.3Å; V822-V824 HydrophobicContact CB-CG2 4.44Å; V822-V824 HydrophobicContact CG2-CG2 3.82Å
823	Y	97.4	Very high	93	Very high	33 Å²	33	38 Å²	38	13%	0.129	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.3	161.1	174.9	-101.1	0	0	0	108.4	K253 K712 G801 Y802 E825	K253-Y823 HydrophobicContact CD-CE2 4.48Å; K712-Y823 PolarHBondContact N-O 2.69Å; K712-Y823 PolarHBondContact O-N 2.75Å; G801-Y823 WeakPolarHBondContact O-CA 3.48Å; Y802-Y823 AromaticContact CD1-CD2 3.9Å; Y802-Y823 HydrophobicContact CD1-CD2 3.9Å; Y802-Y823 HydrophobicContact CD1-CG 4.33Å; Y802-Y823 AromaticContact CD2-CD2 3.78Å; Y802-Y823 HydrophobicContact CD2-CD2 3.78Å; Y802-Y823 HydrophobicContact CD2-CE2 4.22Å; Y802-Y823 AromaticContact CE1-CD2 3.73Å; Y802-Y823 HydrophobicContact CE1-CD2 3.73Å; Y802-Y823 HydrophobicContact CE1-CG 4.06Å; Y802-Y823 AromaticContact CE2-CD2 3.6Å; Y802-Y823 HydrophobicContact CE2-CD2 3.6Å; Y802-Y823 AromaticContact CE2-CE2 3.83Å; Y802-Y823 HydrophobicContact CE2-CE2 3.83Å; Y802-Y823 AromaticContact CG-CD2 3.93Å; Y802-Y823 HydrophobicContact CG-CD2 3.93Å; Y802-Y823 AromaticContact CZ-CD2 3.58Å; Y823-E825 HydrophobicContact CD1-CG 4.29Å; Y823-E825 HydrophobicContact CE1-CG 3.4Å; Y823-E825 VanDerWaalsContact CE1-CG 3.4Å; Y823-E825 VanDerWaalsContact CE1-OE1 3.27Å; Y823-E825 WeakPolarHBondContact CE1-OE1 3.43Å; Y823-E825 PolarHBondContact OH-OE1 3.5Å
824	V	97.4	Very high	92.7	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.1	-177	179	0	0	0	0	109.6	L709 S710 V711 I798 P800 G801 V822 V826	L709-V824 HydrophobicContact CD1-CG1 3.79Å; S710-V824 CarbonylContact O-C 3.51Å; S710-V824 WeakPolarHBondContact O-CA 3.47Å; V711-V824 HydrophobicContact CG1-CG2 4.43Å; I798-V824 HydrophobicContact CG2-CG1 3.84Å; P800-V824 CarbonylContact C-O 3.56Å; P800-V824 WeakPolarHBondContact CA-O 3.08Å; P800-V824 WeakPolarHBondContact CB-O 3.26Å; G801-V824 PolarHBondContact N-O 2.96Å; G801-V824 PolarHBondContact O-N 2.87Å; V822-V824 HydrophobicContact CB-CG2 4.44Å; V822-V824 HydrophobicContact CG2-CG2 3.82Å; V824-V826 HydrophobicContact CG1-CG2 3.88Å
825	E	96.2	Very high	92.4	Very high	77 Å²	77	44 Å²	44	36%	0.36	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.6	166.3	-49.8	-174.1	148.6	0	0	109.1	L709 S710 Y823	L709-E825 WeakPolarHBondContact CA-O 3.41Å; S710-E825 PolarHBondContact N-O 3.26Å; S710-E825 PolarHBondContact O-N 3.07Å; Y823-E825 HydrophobicContact CD1-CG 4.29Å; Y823-E825 HydrophobicContact CE1-CG 3.4Å; Y823-E825 VanDerWaalsContact CE1-CG 3.4Å; Y823-E825 VanDerWaalsContact CE1-OE1 3.27Å; Y823-E825 WeakPolarHBondContact CE1-OE1 3.43Å; Y823-E825 PolarHBondContact OH-OE1 3.5Å
826	V	94.3	Very high	91.9	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.2	171.1	-146.8	0	0	0	0	108.1	P257 L709 V795 I798 P800 V824	P257-V826 VanDerWaalsContact CD-O 3.32Å; P257-V826 WeakPolarHBondContact CD-O 3.38Å; P257-V826 WeakPolarHBondContact CG-O 3.21Å; L709-V826 HydrophobicContact CD1-CB 4.39Å; L709-V826 HydrophobicContact CD1-CG1 4.07Å; L709-V826 HydrophobicContact CD1-CG2 3.75Å; V795-V826 HydrophobicContact CG1-CG1 4.48Å; I798-V826 HydrophobicContact CG2-CG2 4.22Å; P800-V826 HydrophobicContact CB-CG2 4.29Å; V824-V826 HydrophobicContact CG1-CG2 3.88Å
827	K	92.2	Very high	91.6	Very high	109 Å²	109	50.7 Å²	50.7	47%	0.474	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	163.3	179.4	62.6	-172.4	178.1	-168.9	0	110.2	P257 N707 T708	P257-K827 HydrophobicContact CG-CB 4.3Å; N707-K827 CarbonylContact C-O 3.58Å; N707-K827 VanDerWaalsContact CA-O 3.3Å; N707-K827 WeakPolarHBondContact CA-O 3.15Å; N707-K827 WeakPolarHBondContact CB-O 3.14Å; T708-K827 PolarHBondContact N-O 2.69Å; T708-K827 PolarHBondContact O-N 3.41Å; T708-K827 VanDerWaalsContact O-N 3.09Å
828	D	92.6	Very high	91.1	Very high	71 Å²	71	53.6 Å²	53.6	38%	0.38	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.2	173.6	-60.7	-40.1	0	0	0	110.7	V705 N707 V830	V705-D828 HydrophobicContact CG1-CB 3.83Å; V705-D828 VanDerWaalsContact CG1-CG 3.48Å; V705-D828 VanDerWaalsContact CG1-OD1 3.27Å; V705-D828 WeakPolarHBondContact CG1-OD1 3.32Å; N707-D828 PolarHBondContact ND2-OD1 3.07Å; D828-V830 PolarHBondContact O-N 3.13Å
829	Y	92.1	Very high	90.4	Very high	49 Å²	49	57.1 Å²	57.1	19%	0.192	30%	0.3	C	S	.	.			trans	-79.5	110.4	-176.7	169.1	-109.5	0	0	0	110.3	T700 A706 K766 K767 P831	T700-Y829 HydrophobicContact CG2-CD1 3.93Å; T700-Y829 HydrophobicContact CG2-CE1 3.94Å; A706-Y829 HydrophobicContact CB-CD1 4.06Å; A706-Y829 HydrophobicContact CB-CG 4.38Å; A706-Y829 PolarHBondContact O-N 2.94Å; K766-Y829 HydrophobicContact CG-CE2 4.4Å; K766-Y829 VanDerWaalsContact O-CD2 3.25Å; K766-Y829 WeakPolarHBondContact O-CD2 3.42Å; K767-Y829 HydrophobicContact CB-CD2 4.29Å; K767-Y829 HydrophobicContact CB-CE2 4.16Å; K767-Y829 HydrophobicContact CD-CE1 4.23Å; K767-Y829 HydrophobicContact CG-CD1 4.08Å; K767-Y829 HydrophobicContact CG-CD2 4.46Å; K767-Y829 HydrophobicContact CG-CE1 3.96Å; K767-Y829 HydrophobicContact CG-CE2 4.38Å; K767-Y829 HydrophobicContact CG-CG 4.32Å; Y829-P831 HydrophobicContact CE1-CB 4.42Å; Y829-P831 HydrophobicContact CE1-CG 3.86Å
830	V	87.6	Confident	89.9	Confident	52 Å²	52	58 Å²	58	32%	0.315	31%	0.308	S	S	.	.			trans	-96.3	122.2	168.9	-179.5	0	0	0	0	108.5	D828 I838	D828-V830 PolarHBondContact O-N 3.13Å; V830-I838 HydrophobicContact CG1-CB 4.15Å; V830-I838 HydrophobicContact CG1-CG1 3.77Å; V830-I838 HydrophobicContact CG2-CB 4.34Å; V830-I838 HydrophobicContact CG2-CG1 4.22Å; V830-I838 HydrophobicContact CG2-CG2 3.95Å
831	P	86.8	Confident	89.3	Confident	37 Å²	37	64 Å²	64	24%	0.24	34%	0.339	C	S	.	.			trans	-64.2	140.5	170.6	-18	30.5	0	0	0	110.6	Y829 T833 F834	Y829-P831 HydrophobicContact CE1-CB 4.42Å; Y829-P831 HydrophobicContact CE1-CG 3.86Å; P831-T833 PolarHBondContact O-N 3.41Å; P831-F834 HydrophobicContact CB-CD2 4.04Å; P831-F834 HydrophobicContact CG-CD2 4.07Å; P831-F834 PolarHBondContact O-N 3.34Å
832	D	84.3	Confident	88.6	Confident	115 Å²	115	68.4 Å²	68.4	62%	0.615	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-55.1	-29.1	-174	-50.2	-42.1	0	0	0	112.9	K766 F834	K766-D832 WeakPolarHBondContact CE-OD1 3.36Å; K766-D832 IonicContact NZ-OD1 2.86Å; K766-D832 PolarHBondContact NZ-OD1 2.98Å; K766-D832 IonicContact NZ-OD2 2.74Å; K766-D832 PolarHBondContact NZ-OD2 2.94Å; D832-F834 VanDerWaalsContact C-N 3.26Å; D832-F834 PolarHBondContact O-N 3.5Å
833	T	85.1	Confident	88	Confident	114 Å²	114	71.8 Å²	71.8	70%	0.699	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-69.8	-13.1	177.5	54.9	0	0	0	0	115.1	P831	P831-T833 PolarHBondContact O-N 3.41Å
834	F	84.9	Confident	87.4	Confident	117 Å²	117	73.8 Å²	73.8	51%	0.513	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-121.3	5.5	-177.2	-61.3	-63.5	0	0	0	113.2	P831 D832 D836 V837 I838	P831-F834 HydrophobicContact CB-CD2 4.04Å; P831-F834 HydrophobicContact CG-CD2 4.07Å; P831-F834 PolarHBondContact O-N 3.34Å; D832-F834 VanDerWaalsContact C-N 3.26Å; D832-F834 PolarHBondContact O-N 3.5Å; F834-D836 PolarHBondContact O-N 2.82Å; F834-V837 PolarHBondContact O-N 2.66Å; F834-V837 VanDerWaalsContact O-N 3.09Å; F834-I838 WeakPolarHBondContact O-CG1 3.45Å; F834-I838 PolarHBondContact O-N 3.37Å
835	A	83.2	Confident	86.8	Confident	45 Å²	45	79.3 Å²	79.3	37%	0.372	43%	0.433	S	S	.	.	H	α-helix	trans	-53	-53.1	-176.4	0	0	0	0	0	112.6	V837 I838 E839	A835-V837 PolarHBondContact O-N 2.79Å; A835-I838 PolarHBondContact O-N 3.16Å; A835-I838 VanDerWaalsContact O-N 3.15Å; A835-E839 PolarHBondContact O-N 3.45Å
836	D	82.4	Confident	86.1	Confident	130 Å²	130	82.1 Å²	82.1	70%	0.695	44%	0.44	S	S	*	.	H	α-helix	trans	-59	-35.5	179.2	-56.3	-19.6	0	0	0	112.6	F834 A840	F834-D836 PolarHBondContact O-N 2.82Å; D836-A840 WeakPolarHBondContact O-CB 3.33Å; D836-A840 PolarHBondContact O-N 3.35Å
837	V	85.7	Confident	85.6	Confident	77 Å²	77	87.3 Å²	87.3	47%	0.467	46%	0.46	S	S	.	.	H	α-helix	trans	-72.2	-38.6	179.7	-175.6	0	0	0	0	110.9	F834 A835 A840 L841	F834-V837 PolarHBondContact O-N 2.66Å; F834-V837 VanDerWaalsContact O-N 3.09Å; A835-V837 PolarHBondContact O-N 2.79Å; V837-A840 PolarHBondContact O-N 3.35Å; V837-L841 HydrophobicContact CG1-CD1 4.14Å; V837-L841 WeakPolarHBondContact O-CB 3.3Å; V837-L841 VanDerWaalsContact O-CG 3.29Å; V837-L841 WeakPolarHBondContact O-CG 3.35Å; V837-L841 PolarHBondContact O-N 3.09Å
838	I	83.6	Confident	85.3	Confident	74 Å²	74	86.1 Å²	86.1	38%	0.379	46%	0.462	S	S	.	.	H	α-helix	trans	-74.2	-33.2	176.3	-59.8	-58.9	0	0	0	111.7	V830 F834 A835 L841 S842	V830-I838 HydrophobicContact CG1-CB 4.15Å; V830-I838 HydrophobicContact CG1-CG1 3.77Å; V830-I838 HydrophobicContact CG2-CB 4.34Å; V830-I838 HydrophobicContact CG2-CG1 4.22Å; V830-I838 HydrophobicContact CG2-CG2 3.95Å; F834-I838 WeakPolarHBondContact O-CG1 3.45Å; F834-I838 PolarHBondContact O-N 3.37Å; A835-I838 PolarHBondContact O-N 3.16Å; A835-I838 VanDerWaalsContact O-N 3.15Å; I838-L841 HydrophobicContact CD1-CD1 4.32Å; I838-L841 PolarHBondContact O-N 3.2Å; I838-S842 WeakPolarHBondContact O-CB 3.21Å; I838-S842 PolarHBondContact O-N 3.33Å; I838-S842 PolarHBondContact O-OG 3Å
839	E	83.4	Confident	85	Confident	94 Å²	94	86.6 Å²	86.6	44%	0.439	47%	0.465	S	S	.	.	H	α-helix	trans	-64.7	-43.4	169.7	-169	174.3	-176.4	0	0	111	A835 L841 S842 N843 R846	A835-E839 PolarHBondContact O-N 3.45Å; E839-L841 PolarHBondContact O-N 3.06Å; E839-S842 WeakPolarHBondContact CA-OG 3.47Å; E839-S842 PolarHBondContact O-N 3.4Å; E839-S842 PolarHBondContact O-OG 2.77Å; E839-S842 VanDerWaalsContact O-OG 3.11Å; E839-N843 PolarHBondContact O-N 3.22Å; E839-N843 VanDerWaalsContact O-N 3.08Å; E839-R846 IonicContact OE1-CZ 3.12Å; E839-R846 IonicContact OE1-NH1 2.68Å; E839-R846 PolarHBondContact OE1-NH1 2.93Å; E839-R846 IonicContact OE1-NH2 2.72Å; E839-R846 PolarHBondContact OE1-NH2 3.39Å
840	A	85.4	Confident	84.6	Confident	19 Å²	19	87.2 Å²	87.2	16%	0.157	47%	0.471	C	S	.	.	H	α-helix	trans	-62.1	-37.9	174.1	0	0	0	0	0	113.3	D836 V837 N843 P844 Y847	D836-A840 WeakPolarHBondContact O-CB 3.33Å; D836-A840 PolarHBondContact O-N 3.35Å; V837-A840 PolarHBondContact O-N 3.35Å; A840-N843 CarbonylContact O-C 3.55Å; A840-P844 WeakPolarHBondContact O-CA 3.19Å; A840-P844 VanDerWaalsContact O-N 3.09Å; A840-Y847 HydrophobicContact CB-CD1 4.25Å; A840-Y847 HydrophobicContact CB-CD2 3.51Å; A840-Y847 HydrophobicContact CB-CE2 3.92Å; A840-Y847 HydrophobicContact CB-CG 3.69Å
841	L	86.3	Confident	84.4	Confident	125 Å²	125	87.8 Å²	87.8	65%	0.654	47%	0.471	S	S	*	.	H	α-helix	trans	-75.8	-29.7	178.1	-74.7	170.9	0	0	0	113.6	V837 I838 E839	V837-L841 HydrophobicContact CG1-CD1 4.14Å; V837-L841 WeakPolarHBondContact O-CB 3.3Å; V837-L841 VanDerWaalsContact O-CG 3.29Å; V837-L841 WeakPolarHBondContact O-CG 3.35Å; V837-L841 PolarHBondContact O-N 3.09Å; I838-L841 HydrophobicContact CD1-CD1 4.32Å; I838-L841 PolarHBondContact O-N 3.2Å; E839-L841 PolarHBondContact O-N 3.06Å
842	S	83.1	Confident	84.4	Confident	93 Å²	93	91.2 Å²	91.2	65%	0.65	48%	0.484	S	S	*	.	H	α-helix	trans	-80.3	-25.5	176.9	53.9	0	0	0	0	113.2	I838 E839	I838-S842 WeakPolarHBondContact O-CB 3.21Å; I838-S842 PolarHBondContact O-N 3.33Å; I838-S842 PolarHBondContact O-OG 3Å; E839-S842 WeakPolarHBondContact CA-OG 3.47Å; E839-S842 PolarHBondContact O-N 3.4Å; E839-S842 PolarHBondContact O-OG 2.77Å; E839-S842 VanDerWaalsContact O-OG 3.11Å
843	N	85	Confident	84.5	Confident	72 Å²	72	91.2 Å²	91.2	39%	0.385	48%	0.48	S	S	.	.			trans	-141	77.7	168.6	-164.6	-27.9	0	0	0	112.3	E839 A840 I845 R846 Y847	E839-N843 PolarHBondContact O-N 3.22Å; E839-N843 VanDerWaalsContact O-N 3.08Å; A840-N843 CarbonylContact O-C 3.55Å; N843-I845 VanDerWaalsContact C-N 3.28Å; N843-I845 PolarHBondContact O-N 3.28Å; N843-R846 HydrophobicContact CB-CB 4.17Å; N843-R846 VanDerWaalsContact CG-CB 3.47Å; N843-R846 PolarHBondContact O-N 2.76Å; N843-R846 VanDerWaalsContact OD1-CB 3.29Å; N843-R846 WeakPolarHBondContact OD1-CB 2.98Å; N843-R846 PolarHBondContact OD1-N 3.14Å; N843-Y847 PolarHBondContact O-N 2.84Å; N843-Y847 VanDerWaalsContact O-N 3.13Å
844	P	84.1	Confident	84.5	Confident	74 Å²	74	92.1 Å²	92.1	48%	0.481	47%	0.471	S	S	.	.	H	α-helix	trans	-66.3	-29.5	-176.9	25.1	-34.1	0	0	0	112.8	A840 Y847 V848	A840-P844 WeakPolarHBondContact O-CA 3.19Å; A840-P844 VanDerWaalsContact O-N 3.09Å; P844-Y847 PolarHBondContact O-N 2.86Å; P844-V848 WeakPolarHBondContact O-CB 3.14Å; P844-V848 WeakPolarHBondContact O-CG2 3.09Å; P844-V848 PolarHBondContact O-N 3.28Å
845	I	84.2	Confident	84.5	Confident	118 Å²	118	89 Å²	89	61%	0.605	47%	0.466	S	S	*	.	H	α-helix	trans	-65.3	-48.1	177.6	-58.5	174.6	0	0	0	110	N843 Y847 V848 N849	N843-I845 VanDerWaalsContact C-N 3.28Å; N843-I845 PolarHBondContact O-N 3.28Å; I845-Y847 VanDerWaalsContact C-N 3.3Å; I845-Y847 PolarHBondContact O-N 3.02Å; I845-V848 PolarHBondContact O-N 2.71Å; I845-N849 WeakPolarHBondContact O-CB 3.27Å; I845-N849 PolarHBondContact O-N 3.5Å; I845-N849 PolarHBondContact O-OD1 3.12Å
846	R	82.4	Confident	84.5	Confident	136 Å²	136	91.5 Å²	91.5	51%	0.513	47%	0.474	S	S	.	.	H	α-helix	trans	-61	-39.6	175.2	176.4	176.3	154.3	-126.2	-16.6	111.7	E839 N843 L850	E839-R846 IonicContact OE1-CZ 3.12Å; E839-R846 IonicContact OE1-NH1 2.68Å; E839-R846 PolarHBondContact OE1-NH1 2.93Å; E839-R846 IonicContact OE1-NH2 2.72Å; E839-R846 PolarHBondContact OE1-NH2 3.39Å; N843-R846 HydrophobicContact CB-CB 4.17Å; N843-R846 VanDerWaalsContact CG-CB 3.47Å; N843-R846 PolarHBondContact O-N 2.76Å; N843-R846 VanDerWaalsContact OD1-CB 3.29Å; N843-R846 WeakPolarHBondContact OD1-CB 2.98Å; N843-R846 PolarHBondContact OD1-N 3.14Å; R846-L850 VanDerWaalsContact O-CB 3.28Å; R846-L850 WeakPolarHBondContact O-CB 3.45Å; R846-L850 PolarHBondContact O-N 3.38Å; R846-L850 VanDerWaalsContact O-N 3.08Å
847	Y	84	Confident	84.4	Confident	112 Å²	112	91.1 Å²	91.1	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-65.2	-50.6	178.3	-175.6	-91.3	0	0	0	112.2	A840 N843 P844 I845 L850 M851	A840-Y847 HydrophobicContact CB-CD1 4.25Å; A840-Y847 HydrophobicContact CB-CD2 3.51Å; A840-Y847 HydrophobicContact CB-CE2 3.92Å; A840-Y847 HydrophobicContact CB-CG 3.69Å; N843-Y847 PolarHBondContact O-N 2.84Å; N843-Y847 VanDerWaalsContact O-N 3.13Å; P844-Y847 PolarHBondContact O-N 2.86Å; I845-Y847 VanDerWaalsContact C-N 3.3Å; I845-Y847 PolarHBondContact O-N 3.02Å; Y847-L850 PolarHBondContact O-N 2.85Å; Y847-M851 HydrophobicContact CD1-CG 4.13Å; Y847-M851 HydrophobicContact CE1-CG 3.73Å; Y847-M851 HydrophobicContact CE1-SD 4.47Å; Y847-M851 HydrophobicContact CE2-CE 4.17Å; Y847-M851 WeakPolarHBondContact O-CG 3.24Å; Y847-M851 PolarHBondContact O-N 2.98Å
848	V	85.4	Confident	84.1	Confident	85 Å²	85	92.7 Å²	92.7	52%	0.515	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-48.8	178.6	171	0	0	0	0	110.8	P844 I845 L850 M851 E852	P844-V848 WeakPolarHBondContact O-CB 3.14Å; P844-V848 WeakPolarHBondContact O-CG2 3.09Å; P844-V848 PolarHBondContact O-N 3.28Å; I845-V848 PolarHBondContact O-N 2.71Å; V848-L850 PolarHBondContact O-N 2.77Å; V848-M851 PolarHBondContact O-N 3.47Å; V848-M851 VanDerWaalsContact O-N 3.08Å; V848-E852 WeakPolarHBondContact O-CB 3.39Å; V848-E852 PolarHBondContact O-N 3.02Å
849	N	85.3	Confident	83.8	Confident	81 Å²	81	91.3 Å²	91.3	43%	0.433	47%	0.472	S	S	.	.	H	α-helix	trans	-60	-34.7	178.5	-67.2	10.8	0	0	0	112.2	I845 Q853	I845-N849 WeakPolarHBondContact O-CB 3.27Å; I845-N849 PolarHBondContact O-N 3.5Å; I845-N849 PolarHBondContact O-OD1 3.12Å; N849-Q853 WeakPolarHBondContact O-CB 3.43Å; N849-Q853 WeakPolarHBondContact O-CG 3.02Å; N849-Q853 PolarHBondContact O-N 3.4Å
850	L	84.5	Confident	83.5	Confident	61 Å²	61	90.1 Å²	90.1	32%	0.319	48%	0.479	S	S	.	.	H	α-helix	trans	-73.5	-35.2	176.5	-174	65.5	0	0	0	112.3	R846 Y847 V848 R854	R846-L850 VanDerWaalsContact O-CB 3.28Å; R846-L850 WeakPolarHBondContact O-CB 3.45Å; R846-L850 PolarHBondContact O-N 3.38Å; R846-L850 VanDerWaalsContact O-N 3.08Å; Y847-L850 PolarHBondContact O-N 2.85Å; V848-L850 PolarHBondContact O-N 2.77Å; L850-R854 VanDerWaalsContact O-CG 3.25Å; L850-R854 WeakPolarHBondContact O-CG 3.39Å; L850-R854 PolarHBondContact O-N 3Å; L850-R854 VanDerWaalsContact O-N 3.12Å
851	M	83	Confident	82.7	Confident	64 Å²	64	96 Å²	96	32%	0.315	51%	0.507	S	S	.	.	H	α-helix	trans	-67.8	-41.2	171.7	-67	-52.4	105.2	0	0	111.2	Y847 V848 R854 A855	Y847-M851 HydrophobicContact CD1-CG 4.13Å; Y847-M851 HydrophobicContact CE1-CG 3.73Å; Y847-M851 HydrophobicContact CE1-SD 4.47Å; Y847-M851 HydrophobicContact CE2-CE 4.17Å; Y847-M851 WeakPolarHBondContact O-CG 3.24Å; Y847-M851 PolarHBondContact O-N 2.98Å; V848-M851 PolarHBondContact O-N 3.47Å; V848-M851 VanDerWaalsContact O-N 3.08Å; M851-R854 PolarHBondContact O-N 2.96Å; M851-A855 WeakPolarHBondContact O-CB 3.14Å; M851-A855 PolarHBondContact O-N 3.32Å
852	E	87.5	Confident	81.8	Confident	109 Å²	109	95.2 Å²	95.2	51%	0.509	51%	0.507	S	S	.	.	H	α-helix	trans	-65.4	-43.4	176.7	-173.7	174.7	-160.1	0	0	111.8	V848 R854 A855 N856	V848-E852 WeakPolarHBondContact O-CB 3.39Å; V848-E852 PolarHBondContact O-N 3.02Å; E852-R854 VanDerWaalsContact C-N 3.33Å; E852-R854 PolarHBondContact O-N 3.01Å; E852-A855 PolarHBondContact O-N 3.41Å; E852-N856 WeakPolarHBondContact O-CB 3.26Å; E852-N856 PolarHBondContact O-N 3.23Å; E852-N856 PolarHBondContact O-ND2 2.87Å
853	Q	85.6	Confident	80.6	Confident	116 Å²	116	97.6 Å²	97.6	54%	0.542	51%	0.512	S	S	.	.	H	α-helix	trans	-58.6	-42.6	171.7	-80.5	-175.6	-9.1	0	0	112.3	N849 N856 Q857	N849-Q853 WeakPolarHBondContact O-CB 3.43Å; N849-Q853 WeakPolarHBondContact O-CG 3.02Å; N849-Q853 PolarHBondContact O-N 3.4Å; Q853-N856 PolarHBondContact O-N 3.3Å; Q853-Q857 WeakPolarHBondContact O-CB 3.26Å; Q853-Q857 VanDerWaalsContact O-CG 3.23Å; Q853-Q857 WeakPolarHBondContact O-CG 3.37Å; Q853-Q857 PolarHBondContact O-N 3.16Å
854	R	85.4	Confident	78.8	Confident	133 Å²	133	103 Å²	103	50%	0.502	54%	0.535	S	S	.	.	H	α-helix	trans	-65.8	-41.1	175.8	-72.5	169.9	-177.2	-169.1	1.2	111.9	L850 M851 E852 Q857 L858	L850-R854 VanDerWaalsContact O-CG 3.25Å; L850-R854 WeakPolarHBondContact O-CG 3.39Å; L850-R854 PolarHBondContact O-N 3Å; L850-R854 VanDerWaalsContact O-N 3.12Å; M851-R854 PolarHBondContact O-N 2.96Å; E852-R854 VanDerWaalsContact C-N 3.33Å; E852-R854 PolarHBondContact O-N 3.01Å; R854-Q857 PolarHBondContact O-N 2.82Å; R854-L858 WeakPolarHBondContact O-CB 3.34Å; R854-L858 VanDerWaalsContact O-CG 3.29Å; R854-L858 WeakPolarHBondContact O-CG 3.42Å; R854-L858 PolarHBondContact O-N 3.38Å
855	A	84.5	Confident	77	Confident	51 Å²	51	109.3 Å²	109.3	42%	0.421	56%	0.558	S	S	.	*	H	α-helix	trans	-63.3	-42.4	175.9	0	0	0	0	0	111.7	M851 E852 L858 A859	M851-A855 WeakPolarHBondContact O-CB 3.14Å; M851-A855 PolarHBondContact O-N 3.32Å; E852-A855 PolarHBondContact O-N 3.41Å; A855-L858 PolarHBondContact O-N 3.13Å; A855-A859 WeakPolarHBondContact O-CB 3.39Å; A855-A859 PolarHBondContact O-N 3.16Å
856	N	82.9	Confident	74.8	Confident	98 Å²	98	107.6 Å²	107.6	52%	0.524	57%	0.569	S	S	.	*	H	α-helix	trans	-69.5	-36.9	177.8	-68.4	-20.1	0	0	0	112.3	E852 Q853 A859 A860	E852-N856 WeakPolarHBondContact O-CB 3.26Å; E852-N856 PolarHBondContact O-N 3.23Å; E852-N856 PolarHBondContact O-ND2 2.87Å; Q853-N856 PolarHBondContact O-N 3.3Å; N856-A859 PolarHBondContact O-N 2.86Å; N856-A860 WeakPolarHBondContact O-CB 3.37Å; N856-A860 PolarHBondContact O-N 3.03Å
857	Q	81.3	Confident	72.6	Confident	121 Å²	121	104.5 Å²	104.5	57%	0.565	58%	0.58	S	S	*	*	H	α-helix	trans	-67	-37.8	172.1	-73.9	168.9	5.3	0	0	112.2	Q853 R854 L861	Q853-Q857 WeakPolarHBondContact O-CB 3.26Å; Q853-Q857 VanDerWaalsContact O-CG 3.23Å; Q853-Q857 WeakPolarHBondContact O-CG 3.37Å; Q853-Q857 PolarHBondContact O-N 3.16Å; R854-Q857 PolarHBondContact O-N 2.82Å; Q857-L861 WeakPolarHBondContact O-CG 3.23Å; Q857-L861 PolarHBondContact O-N 3.31Å
858	L	78.2	Confident	70.3	Confident	111 Å²	111	108.5 Å²	108.5	58%	0.581	60%	0.603	S	S	*	*	H	α-helix	trans	-68.3	-41.1	172.8	-75.7	164.8	0	0	0	111.7	R854 A855 A860 L861 T862	R854-L858 WeakPolarHBondContact O-CB 3.34Å; R854-L858 VanDerWaalsContact O-CG 3.29Å; R854-L858 WeakPolarHBondContact O-CG 3.42Å; R854-L858 PolarHBondContact O-N 3.38Å; A855-L858 PolarHBondContact O-N 3.13Å; L858-A860 VanDerWaalsContact C-N 3.32Å; L858-A860 PolarHBondContact O-N 2.93Å; L858-L861 CarbonylContact O-C 3.44Å; L858-L861 WeakPolarHBondContact O-CA 3.48Å; L858-L861 PolarHBondContact O-N 2.87Å; L858-T862 PolarHBondContact O-N 3.4Å; L858-T862 PolarHBondContact O-OG1 2.88Å
859	A	77.9	Confident	68.2	Low	44 Å²	44	113.4 Å²	113.4	36%	0.364	62%	0.62	S	S	.	*	H	α-helix	trans	-58.3	-44.6	175.7	0	0	0	0	0	111.5	A855 N856 L861 T862 L863	A855-A859 WeakPolarHBondContact O-CB 3.39Å; A855-A859 PolarHBondContact O-N 3.16Å; N856-A859 PolarHBondContact O-N 2.86Å; A859-L861 PolarHBondContact O-N 3.41Å; A859-T862 WeakPolarHBondContact CA-OG1 3.32Å; A859-T862 PolarHBondContact O-N 3.3Å; A859-T862 VanDerWaalsContact O-N 3.09Å; A859-T862 PolarHBondContact O-OG1 2.78Å; A859-L863 PolarHBondContact O-N 2.84Å
860	A	77.5	Confident	65.7	Low	70 Å²	70	119.2 Å²	119.2	58%	0.579	64%	0.644	S	S	*	*	H	α-helix	trans	-65.1	-18.6	174.6	0	0	0	0	0	114.2	N856 L858	N856-A860 WeakPolarHBondContact O-CB 3.37Å; N856-A860 PolarHBondContact O-N 3.03Å; L858-A860 VanDerWaalsContact C-N 3.32Å; L858-A860 PolarHBondContact O-N 2.93Å
861	L	68.9	Low	63.2	Low	143 Å²	143	119.8 Å²	119.8	75%	0.749	67%	0.665	S	S	*	*	H	α-helix	trans	-94.9	-10.5	173.4	-70.8	168.3	0	0	0	113.4	Q857 L858 A859	Q857-L861 WeakPolarHBondContact O-CG 3.23Å; Q857-L861 PolarHBondContact O-N 3.31Å; L858-L861 CarbonylContact O-C 3.44Å; L858-L861 WeakPolarHBondContact O-CA 3.48Å; L858-L861 PolarHBondContact O-N 2.87Å; A859-L861 PolarHBondContact O-N 3.41Å
862	T	66.5	Low	60.8	Low	107 Å²	107	123.2 Å²	123.2	66%	0.656	69%	0.685	S	S	*	*	H	α-helix	trans	-103.3	-2.4	175.6	52.7	0	0	0	0	113.8	L858 A859 E864	L858-T862 PolarHBondContact O-N 3.4Å; L858-T862 PolarHBondContact O-OG1 2.88Å; A859-T862 WeakPolarHBondContact CA-OG1 3.32Å; A859-T862 PolarHBondContact O-N 3.3Å; A859-T862 VanDerWaalsContact O-N 3.09Å; A859-T862 PolarHBondContact O-OG1 2.78Å; T862-E864 PolarHBondContact O-N 3.37Å
863	L	59.4	Low	58.3	Low	143 Å²	143	124.7 Å²	124.7	75%	0.749	69%	0.69	S	S	*	*			trans	-88.3	89.4	166.5	-70.8	168.5	0	0	0	108.3	A859	A859-L863 PolarHBondContact O-N 2.84Å
864	E	46.7	Very low	56	Low	187 Å²	187	127.4 Å²	127.4	87%	0.874	70%	0.702	S	S	*	*			trans	-69.3	140.5	172.4	-65.8	-172.4	140.6	0	0	110.9	T862	T862-E864 PolarHBondContact O-N 3.37Å
865	E	46.1	Very low	53.7	Low	205 Å²	205	127.3 Å²	127.3	96%	0.958	72%	0.716	S	S	*	*			trans	-76.4	127.6	168.5	-73.4	-173.2	117.6	0	0	110.7
866	G	37.9	Very low	51.1	Low	82 Å²	82	133.2 Å²	133.2	85%	0.845	74%	0.735	S	S	*	*			trans	131	112.1	167	0	0	0	0	0	114.1
867	G	36.3	Very low	48.7	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	74%	0.741	S	S	*	*			cis	166.8	-165.3	-3.5	0	0	0	0	0	112.8
868	E	35.1	Very low	46.2	Very low	197 Å²	197	129.9 Å²	129.9	92%	0.921	75%	0.748	S	S	*	*			trans	78.2	171.2	172.5	-56	-173	175.6	0	0	117.1
869	E	41.1	Very low	43.8	Very low	188 Å²	188	129.6 Å²	129.6	88%	0.879	76%	0.756	S	S	*	*				-113.1	-166.1	-129.1	-52.2	-174.1	115.5	0	0	116.8
870	E	33.5	Very low	41.4	Very low	202 Å²	202	135.2 Å²	135.2	94%	0.944	78%	0.779	S	S	*	*			trans	75.1	121.3	177.9	-53.3	-169.3	161.7	0	0	117.1
871	G	32.3	Very low	39.3	Very low	74 Å²	74	136.3 Å²	136.3	76%	0.763	79%	0.789	S	S	*	*			cis	141.3	114.7	-17.6	0	0	0	0	0	115
872	D	31.9	Very low	38	Very low	136 Å²	136	135.7 Å²	135.7	73%	0.727	79%	0.793	S	S	*	*			trans	-168.7	134.3	139.4	-122.7	-0.3	0	0	0	115.9
873	K	35.6	Very low	36.2	Very low	140 Å²	140	135.4 Å²	135.4	61%	0.609	80%	0.795	S	S	*	*			trans	40.8	123.5	144	-69.5	-179.5	-161	74.6	0	124.3
874	E	37.5	Very low	34.7	Very low	173 Å²	173	137.1 Å²	137.1	81%	0.808	80%	0.8	S	S	*	*				62.1	142.5	117.6	-64.9	172.8	166.2	0	0	120.2
875	V	36.1	Very low	33.8	Very low	130 Å²	130	132.2 Å²	132.2	79%	0.788	79%	0.786	S	S	*	*			cis	-167.2	176.8	-8.6	79	0	0	0	0	106.2
876	E	31.3	Very low	32.9	Very low	176 Å²	176	128.6 Å²	128.6	82%	0.822	78%	0.778	S	S	*	*			cis	-154.1	176.9	6.9	-107	-156.2	-77.4	0	0	105.7
877	A	32.1	Very low	32.5	Very low	79 Å²	79	130.4 Å²	130.4	65%	0.653	77%	0.772	S	S	*	*			cis	-176	166.2	-33.9	0	0	0	0	0	109.2
878	G	28.4	Very low	32.1	Very low	69 Å²	69	133 Å²	133	71%	0.711	77%	0.77	S	S	*	*			trans	86.6	127.4	173.1	0	0	0	0	0	115
879	S	28.6	Very low	31.8	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	75%	0.752	S	S	*	*			cis	92.6	105.2	36.8	76	0	0	0	0	114.6
880	D	27	Very low	31.1	Very low	161 Å²	161	129.8 Å²	129.8	86%	0.861	75%	0.746	S	S	*	*				179.8	149.4	111	-91.1	-1.8	0	0	0	114.2
881	A	32.9	Very low	31.1	Very low	93 Å²	93	126.5 Å²	126.5	77%	0.769	74%	0.742	S	S	*	*			trans	-151.2	144.1	164.8	0	0	0	0	0	108.4
882	P	42	Very low	31.1	Very low	131 Å²	131	128.9 Å²	128.9	85%	0.851	74%	0.741	S	S	*	*				-144.2	-159.5	96.6	41.2	-23.1	0	0	0	111.1
883	S	28.2	Very low	31.2	Very low	100 Å²	100	128.5 Å²	128.5	70%	0.699	74%	0.744	S	S	*	*			cis	-154.9	144.7	9	60.6	0	0	0	0	114.3
884	E	29	Very low	31.2	Very low	180 Å²	180	127.5 Å²	127.5	84%	0.841	75%	0.752	S	S	*	*				19.1	148.6	127.1	-63.6	-168.3	147.2	0	0	122.3
885	S	27	Very low	30.8	Very low	84 Å²	84	123.8 Å²	123.8	59%	0.587	75%	0.751	S	S	*	*			cis	-173.8	172.9	-8.3	54.2	0	0	0	0	113.6
886	T	26.8	Very low	30.6	Very low	129 Å²	129	126.8 Å²	126.8	79%	0.791	76%	0.756	S	S	*	*			trans	73.6	145.7	161	67.8	0	0	0	0	118.6
887	V	30.6	Very low	30.5	Very low	119 Å²	119	126.8 Å²	126.8	72%	0.721	76%	0.762	S	S	*	*			cis	-160.7	158.4	-1.1	111.4	0	0	0	0	112.8
888	D	26.5	Very low	30.4	Very low	127 Å²	127	126.2 Å²	126.2	68%	0.679	76%	0.764	S	S	*	*			trans	64.2	151.8	159.4	-84.1	0.9	0	0	0	122.8
889	Q	29.3	Very low	30.5	Very low	118 Å²	118	129.6 Å²	129.6	55%	0.551	77%	0.77	S	S	*	*			cis	-166.2	143.1	-24.3	-132.9	-177.3	90.5	0	0	113
890	R	27.2	Very low	30.4	Very low	199 Å²	199	129.3 Å²	129.3	75%	0.751	77%	0.768	S	S	*	*			trans	65.3	149.9	161.6	-47	-168.9	-166.4	-157.9	-0.5	119.1
891	P	33.9	Very low	30.5	Very low	133 Å²	133	132.5 Å²	132.5	86%	0.864	77%	0.768	S	S	*	*				-127.7	-161.8	73.3	39.8	-27.8	0	0	0	115.1
892	V	30.4	Very low	30.1	Very low	123 Å²	123	134.1 Å²	134.1	75%	0.745	77%	0.769	S	S	*	*			trans	-136.5	156.3	-162.8	178.4	0	0	0	0	112.9
893	V	34.8	Very low	29.9	Very low	128 Å²	128	133.8 Å²	133.8	78%	0.776	77%	0.767	S	S	*	*			trans	-71.6	156.3	178.8	-138.1	0	0	0	0	113.8
894	P	36.1	Very low	29.8	Very low	120 Å²	120	136.6 Å²	136.6	78%	0.779	77%	0.772	S	S	*	*				-145.4	171.8	103.1	37.6	-24.2	0	0	0	112.9
895	A	29.5	Very low	29.7	Very low	95 Å²	95	136.1 Å²	136.1	79%	0.785	77%	0.774	S	S	*	*			cis	174.5	139	-24	0	0	0	0	0	104.7
896	E	30.3	Very low	29.7	Very low	192 Å²	192	136.1 Å²	136.1	90%	0.897	78%	0.778	S	S	*	*			trans	-103.2	160.1	-170.6	-63.4	-174.2	116.7	0	0	115.9
897	N	30	Very low	30	Very low	176 Å²	176	136.1 Å²	136.1	94%	0.941	78%	0.781	S	S	*	*			trans	-150.1	148.3	159.9	-80.1	-57.5	0	0	0	108
898	G	30	Very low	29.9	Very low	68 Å²	68	139.7 Å²	139.7	70%	0.701	79%	0.786	S	S	*	*			cis	175.3	100.7	-4.5	0	0	0	0	0	114.3
899	V	30	Very low	30.6	Very low	139 Å²	139	139 Å²	139	84%	0.842	79%	0.789	S	S	*	*			trans	42.2	99.2	143.2	-170.1	0	0	0	0	121.7
900	S	27	Very low	31.2	Very low	100 Å²	100	139 Å²	139	70%	0.699	80%	0.799	S	S	*	*				62.6	135.5	122.8	-52.9	0	0	0	0	127
901	R	28.4	Very low	31.1	Very low	229 Å²	229	133.6 Å²	133.6	86%	0.864	79%	0.792	S	S	*	*				81.4	117.1	129.4	-81.3	179.3	-177.3	-170.2	1.9	124.6
902	T	26.2	Very low	31	Very low	126 Å²	126	135.2 Å²	135.2	77%	0.773	79%	0.792	S	S	*	*			trans	44.9	131.1	131.9	58	0	0	0	0	123.6
903	P	37	Very low	30.9	Very low	125 Å²	125	135.2 Å²	135.2	81%	0.812	79%	0.792	S	S	*	*			trans	-108.6	149.6	175.8	39.5	-32.3	0	0	0	116.3
904	I	26.8	Very low	30.5	Very low	158 Å²	158	132.2 Å²	132.2	81%	0.81	79%	0.788	S	S	*	*			trans	-147.2	130.9	169.7	-73.4	-168.9	0	0	0	112.3
905	I	27.1	Very low	30.2	Very low	171 Å²	171	135.8 Å²	135.8	88%	0.877	79%	0.794	S	S	*	*			trans	72.6	158.2	159.7	-71.2	166.7	0	0	0	120.2
906	A	26.7	Very low	30.2	Very low	83 Å²	83	137.8 Å²	137.8	69%	0.686	79%	0.787	S	S	*	*			trans	-109.6	-161.3	-170	0	0	0	0	0	111.7
907	P	32.9	Very low	30.5	Very low	129 Å²	129	134.8 Å²	134.8	84%	0.838	78%	0.784	S	S	*	*			cis	-142.4	-168.1	19	43.5	-20.9	0	0	0	118.1
908	K	28.6	Very low	30.4	Very low	194 Å²	194	134.2 Å²	134.2	84%	0.843	78%	0.776	S	S	*	*			trans	-75.8	179.1	169.5	-88	-174.6	179.2	-175.4	0	112.6
909	P	40.3	Very low	30.2	Very low	114 Å²	114	136.7 Å²	136.7	74%	0.74	78%	0.782	S	S	*	*			cis	-137.4	-158.8	24.3	46.3	-25.9	0	0	0	113.8
910	P	41.3	Very low	30.1	Very low	117 Å²	117	135 Å²	135	76%	0.76	78%	0.783	S	S	*	*			cis	-126.9	-134.7	3.6	34	-7.3	0	0	0	113
911	S	26.9	Very low	30.2	Very low	86 Å²	86	133.9 Å²	133.9	60%	0.601	79%	0.787	S	S	*	*			cis	-168.3	134.1	-0.6	28.3	0	0	0	0	113.7
912	L	30.3	Very low	30.2	Very low	166 Å²	166	130.5 Å²	130.5	87%	0.869	79%	0.792	S	S	*	*			trans	62.1	168.4	144.3	-53.3	177.4	0	0	0	118.8
913	V	29.6	Very low	30.3	Very low	123 Å²	123	128.3 Å²	128.3	75%	0.745	80%	0.795	S	S	*	*			cis	-159.9	151.5	-27.9	131.3	0	0	0	0	111.1
914	G	26.5	Very low	29.8	Very low	66 Å²	66	127.4 Å²	127.4	68%	0.68	79%	0.791	S	S	*	*			trans	91.9	148.1	154	0	0	0	0	0	117.9
915	H	28.2	Very low	29.8	Very low	194 Å²	194	127.4 Å²	127.4	90%	0.898	79%	0.792	S	S	*	*			cis	-153.6	-176.6	-14.4	-119.6	-58.5	0	0	0	110.9
916	Q	30.4	Very low	30.2	Very low	137 Å²	137	129.1 Å²	129.1	64%	0.64	79%	0.793	S	S	*	*			trans	-123.3	164.6	-165.5	-153.4	-172.5	35.2	0	0	112.2
917	P	35.6	Very low	30.3	Very low	130 Å²	130	130.9 Å²	130.9	84%	0.844	80%	0.798	S	S	*	*				-137.4	176.9	127	37.7	-25.7	0	0	0	114.6
918	Q	28.7	Very low	30.1	Very low	163 Å²	163	129.9 Å²	129.9	76%	0.762	79%	0.794	S	S	*	*			trans	-135.1	157.2	-161.9	-57.5	173.9	-3.1	0	0	114.3
919	S	25.1	Very low	30.7	Very low	120 Å²	120	127.3 Å²	127.3	84%	0.839	79%	0.794	S	S	*	*			trans	-168.5	163	148.4	62.2	0	0	0	0	109
920	A	29.5	Very low	30.4	Very low	105 Å²	105	130.8 Å²	130.8	87%	0.868	80%	0.798	S	S	*	*			cis	-148.6	156.2	-38.6	0	0	0	0	0	106.8
921	G	28.2	Very low	30.3	Very low	76 Å²	76	131 Å²	131	78%	0.784	80%	0.797	S	S	*	*			trans	-113.2	151.9	-169	0	0	0	0	0	115.8
922	T	28.2	Very low	31.2	Very low	157 Å²	157	134.7 Å²	134.7	96%	0.963	81%	0.805	S	S	*	*			trans	-149.1	156.8	155.1	32.7	0	0	0	0	108.1
923	G	28.2	Very low	32.7	Very low	80 Å²	80	130.4 Å²	130.4	83%	0.825	78%	0.783	S	S	*	*			trans	-144.7	151.9	-179.8	0	0	0	0	0	112.6
924	S	25.8	Very low	34.3	Very low	107 Å²	107	126.1 Å²	126.1	75%	0.748	76%	0.755	S	S	*	*			trans	-160	141.9	167.1	-162.8	0	0	0	0	111.6
925	L	27.2	Very low	36.2	Very low	157 Å²	157	123.5 Å²	123.5	82%	0.822	73%	0.725	S	S	*	*			trans	41.4	126.6	155.4	-63.6	168	0	0	0	120.9
926	K	36.7	Very low	38	Very low	207 Å²	207	120.8 Å²	120.8	90%	0.9	71%	0.713	S	S	*	*			trans	-65	143.1	163.2	-64.7	179.1	178.4	179	0	111.8
927	P	28.6	Very low	39.7	Very low	120 Å²	120	117.3 Å²	117.3	78%	0.779	70%	0.704	S	S	*	*			trans	-101.2	179.3	136.7	8.2	10.8	0	0	0	111.4
928	S	27.7	Very low	41.3	Very low	109 Å²	109	112.1 Å²	112.1	76%	0.762	67%	0.67	S	S	*	*			trans	-63.8	158.1	-171.3	44	0	0	0	0	115.6	K930	S928-K930 PolarHBondContact O-N 3.42Å
929	V	41.8	Very low	43.4	Very low	140 Å²	140	106.1 Å²	106.1	85%	0.848	64%	0.643	S	S	*	*			trans	-58.9	106.1	173.3	179.4	0	0	0	0	110.1
930	K	33.9	Very low	45.9	Very low	186 Å²	186	104.1 Å²	104.1	81%	0.809	63%	0.626	S	S	*	*			trans	-91.6	128.8	146.4	-70.4	-174.9	177.8	-178.2	0	106.9	S928 E932	S928-K930 PolarHBondContact O-N 3.42Å; K930-E932 PolarHBondContact O-N 3.2Å
931	T	38.9	Very low	48	Very low	122 Å²	122	105.7 Å²	105.7	75%	0.748	62%	0.615	S	S	*	*			trans	-66	105.1	164.9	-51.8	0	0	0	0	106.9	D933	T931-D933 PolarHBondContact O-N 3.2Å; T931-D933 VanDerWaalsContact O-N 3.17Å
932	E	46.1	Very low	50.5	Low	164 Å²	164	103.7 Å²	103.7	77%	0.766	59%	0.586	S	S	*	*			trans	-57.8	121.1	170	-69.5	-171.5	137.3	0	0	108.1	K930 I934	K930-E932 PolarHBondContact O-N 3.2Å; E932-I934 PolarHBondContact O-N 2.7Å
933	D	61.4	Low	53	Low	75 Å²	75	103.4 Å²	103.4	40%	0.401	57%	0.574	S	S	.	*			trans	-70.5	112.7	176.7	-159.9	-20.5	0	0	0	108.3	T931 I935 Q936 S937	T931-D933 PolarHBondContact O-N 3.2Å; T931-D933 VanDerWaalsContact O-N 3.17Å; D933-I935 PolarHBondContact O-N 2.79Å; D933-I935 WeakPolarHBondContact OD1-CB 3.47Å; D933-I935 WeakPolarHBondContact OD1-CG1 3.46Å; D933-I935 PolarHBondContact OD1-N 2.78Å; D933-Q936 HydrophobicContact CB-CB 4.46Å; D933-Q936 PolarHBondContact O-N 3.27Å; D933-S937 PolarHBondContact O-N 3.21Å
934	I	63.7	Low	55.8	Low	34 Å²	34	100.6 Å²	100.6	17%	0.174	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.5	-177	-56.3	176.9	0	0	0	109.7	E932 S937 V938 L1101 K1104 M1105 Y1142	E932-I934 PolarHBondContact O-N 2.7Å; I934-S937 PolarHBondContact O-N 2.95Å; I934-S937 PolarHBondContact O-OG 2.88Å; I934-V938 WeakPolarHBondContact O-CG2 3.49Å; I934-L1101 HydrophobicContact CG2-CD1 3.94Å; I934-K1104 HydrophobicContact CG2-CD 3.98Å; I934-M1105 HydrophobicContact CD1-SD 4.47Å; I934-Y1142 HydrophobicContact CB-CE1 4.5Å; I934-Y1142 HydrophobicContact CD1-CE1 4.46Å
935	I	66.4	Low	58.7	Low	10 Å²	10	98.3 Å²	98.3	5%	0.051	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-55.7	174.2	-63.5	176.4	0	0	0	111.5	D933 S937 V938 L939 Y1142 R1145 M1146 A1149	D933-I935 PolarHBondContact O-N 2.79Å; D933-I935 WeakPolarHBondContact OD1-CB 3.47Å; D933-I935 WeakPolarHBondContact OD1-CG1 3.46Å; D933-I935 PolarHBondContact OD1-N 2.78Å; I935-S937 PolarHBondContact O-N 2.75Å; I935-V938 PolarHBondContact O-N 2.66Å; I935-V938 VanDerWaalsContact O-N 3.08Å; I935-L939 HydrophobicContact CG2-CD1 3.8Å; I935-L939 HydrophobicContact CG2-CG 4.44Å; I935-L939 PolarHBondContact O-N 3.07Å; I935-Y1142 HydrophobicContact CD1-CD1 4.28Å; I935-Y1142 HydrophobicContact CG1-CD1 4.24Å; I935-R1145 HydrophobicContact CD1-CB 3.38Å; I935-R1145 HydrophobicContact CD1-CG 4.49Å; I935-M1146 HydrophobicContact CB-SD 3.87Å; I935-M1146 HydrophobicContact CG1-CG 4.05Å; I935-M1146 HydrophobicContact CG1-SD 3.94Å; I935-M1146 HydrophobicContact CG2-SD 3.62Å; I935-A1149 HydrophobicContact CG2-CB 4.18Å
936	Q	66	Low	61.7	Low	137 Å²	137	93.7 Å²	93.7	64%	0.64	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.4	-178.7	-158.6	68.5	20.1	0	0	111.9	D933 V938	D933-Q936 HydrophobicContact CB-CB 4.46Å; D933-Q936 PolarHBondContact O-N 3.27Å; Q936-V938 PolarHBondContact O-N 3.03Å; Q936-V938 VanDerWaalsContact O-N 3.15Å
937	S	66.4	Low	64	Low	64 Å²	64	84 Å²	84	45%	0.448	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	7.9	174.8	81.4	0	0	0	0	115.2	D933 I934 I935 K1104	D933-S937 PolarHBondContact O-N 3.21Å; I934-S937 PolarHBondContact O-N 2.95Å; I934-S937 PolarHBondContact O-OG 2.88Å; I935-S937 PolarHBondContact O-N 2.75Å; S937-K1104 PolarHBondContact O-NZ 3.23Å; S937-K1104 PolarHBondContact OG-NZ 3.33Å
938	V	69	Low	66.9	Low	21 Å²	21	83.5 Å²	83.5	13%	0.127	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133	-32.4	-176.9	175	0	0	0	0	112	I934 I935 Q936 T940 E1097 K1104 M1146	I934-V938 WeakPolarHBondContact O-CG2 3.49Å; I935-V938 PolarHBondContact O-N 2.66Å; I935-V938 VanDerWaalsContact O-N 3.08Å; Q936-V938 PolarHBondContact O-N 3.03Å; Q936-V938 VanDerWaalsContact O-N 3.15Å; V938-T940 PolarHBondContact O-N 2.79Å; V938-E1097 HydrophobicContact CG1-CB 3.62Å; V938-E1097 HydrophobicContact CG1-CG 3.79Å; V938-K1104 HydrophobicContact CG2-CD 4.08Å; V938-M1146 HydrophobicContact CG1-CE 4.13Å
939	L	73.6	Confident	69.8	Low	38 Å²	38	82.6 Å²	82.6	20%	0.199	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-63.8	122.2	-178.9	-70.7	168.2	0	0	0	112.9	I935 E1097 M1146 A1149 Q1150	I935-L939 HydrophobicContact CG2-CD1 3.8Å; I935-L939 HydrophobicContact CG2-CG 4.44Å; I935-L939 PolarHBondContact O-N 3.07Å; L939-E1097 WeakPolarHBondContact CA-OE1 3.34Å; L939-M1146 HydrophobicContact CD2-CE 3.97Å; L939-M1146 HydrophobicContact CG-CE 4.38Å; L939-A1149 HydrophobicContact CD1-CB 3.96Å; L939-Q1150 HydrophobicContact CD2-CG 4.12Å
940	T	76.9	Confident	72	Confident	78 Å²	78	76.1 Å²	76.1	48%	0.479	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-98.2	130.1	171.5	-52.1	0	0	0	0	110.5	V938 E1097 R1153	V938-T940 PolarHBondContact O-N 2.79Å; T940-E1097 PolarHBondContact N-OE1 2.86Å; T940-R1153 WeakPolarHBondContact O-CD 3.45Å; T940-R1153 PolarHBondContact O-NH1 3.38Å
941	E	74.4	Confident	74.6	Confident	138 Å²	138	70 Å²	70	65%	0.645	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-85.9	154.7	174.3	-62.8	-157	129.8	0	0	112.2	R1156	E941-R1156 IonicContact OE1-NH1 3.52Å
942	L	79.7	Confident	77.1	Confident	33 Å²	33	71.2 Å²	71.2	17%	0.173	36%	0.359	C	S	.	.			trans	-144.5	124.5	-177.3	-173.7	155.1	0	0	0	108.1	Q1086 K1089 I1093 L1157	L942-Q1086 HydrophobicContact CD2-CB 4.1Å; L942-Q1086 HydrophobicContact CD2-CG 4.12Å; L942-K1089 HydrophobicContact CD1-CB 4.37Å; L942-K1089 HydrophobicContact CD1-CD 3.97Å; L942-K1089 HydrophobicContact CD1-CG 4Å; L942-I1093 HydrophobicContact CD1-CD1 4.06Å; L942-L1157 HydrophobicContact CD2-CD1 4.26Å; L942-L1157 HydrophobicContact CD2-CD2 3.92Å
943	E	80.8	Confident	79.2	Confident	152 Å²	152	66.9 Å²	66.9	71%	0.71	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-95.9	151.4	-174.5	-57.5	-166.8	113.6	0	0	112.4	Q1086	E943-Q1086 PolarHBondContact O-NE2 2.97Å
944	A	86.5	Confident	80.5	Confident	20 Å²	20	72.4 Å²	72.4	17%	0.165	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-78.7	142.9	175.1	0	0	0	0	0	110.7	L1157 K1160 I1164	A944-L1157 HydrophobicContact CB-CD1 4.05Å; A944-K1160 HydrophobicContact CB-CB 3.96Å; A944-K1160 HydrophobicContact CB-CD 4.44Å; A944-I1164 HydrophobicContact CB-CD1 3.58Å
945	Q	86.6	Confident	81.5	Confident	59 Å²	59	72.2 Å²	72.2	28%	0.276	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-72	143.9	176.5	-71.9	179.7	-35	0	0	111.7	E949 L950 C1082 I1164	Q945-E949 WeakPolarHBondContact CA-OE2 3.23Å; Q945-E949 HydrophobicContact CB-CB 4.49Å; Q945-E949 VanDerWaalsContact CB-OE2 3.3Å; Q945-E949 WeakPolarHBondContact CB-OE2 3.01Å; Q945-L950 HydrophobicContact CB-CD2 4.45Å; Q945-L950 HydrophobicContact CB-CG 4.47Å; Q945-C1082 VanDerWaalsContact OE1-CB 3.3Å; Q945-C1082 PolarHBondContact OE1-SG 2.61Å; Q945-I1164 WeakPolarHBondContact O-CD1 3.5Å
946	T	90.1	Very high	82.7	Confident	61 Å²	61	72.6 Å²	72.6	37%	0.374	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-82	165	-178.9	86.4	0	0	0	0	112.5	E948 E949 L950	T946-E948 WeakPolarHBondContact CB-OE2 3.3Å; T946-E948 PolarHBondContact O-N 3.16Å; T946-E948 PolarHBondContact OG1-N 2.97Å; T946-E948 PolarHBondContact OG1-OE2 2.89Å; T946-E949 PolarHBondContact N-OE2 2.87Å; T946-E949 PolarHBondContact O-N 3.16Å; T946-E949 PolarHBondContact OG1-N 2.85Å; T946-L950 VanDerWaalsContact O-CG 3.31Å; T946-L950 WeakPolarHBondContact O-CG 3.41Å; T946-L950 PolarHBondContact O-N 2.96Å
947	V	86.6	Confident	83.9	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.018	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-33.6	177.8	-179.4	0	0	0	0	111.2	L950 K951 L1075 I1164 Q1167 I1168	V947-L950 PolarHBondContact O-N 2.92Å; V947-K951 HydrophobicContact CG1-CD 4.17Å; V947-K951 VanDerWaalsContact O-CG 3.3Å; V947-K951 WeakPolarHBondContact O-CG 3.42Å; V947-K951 PolarHBondContact O-N 3.09Å; V947-L1075 HydrophobicContact CG1-CD2 4.19Å; V947-I1164 HydrophobicContact CG2-CG2 4.15Å; V947-Q1167 HydrophobicContact CG2-CB 4.15Å; V947-I1168 HydrophobicContact CG1-CG1 4.18Å; V947-I1168 HydrophobicContact CG2-CG1 4.15Å
948	E	88.1	Confident	85	Confident	110 Å²	110	74.5 Å²	74.5	51%	0.514	36%	0.363	S	S	.	.	H	α-helix	trans	-67	-43.8	176.9	-58.5	66.6	-141.4	0	0	111.6	T946 L950 K951 Q952	T946-E948 WeakPolarHBondContact CB-OE2 3.3Å; T946-E948 PolarHBondContact O-N 3.16Å; T946-E948 PolarHBondContact OG1-N 2.97Å; T946-E948 PolarHBondContact OG1-OE2 2.89Å; E948-L950 VanDerWaalsContact C-N 3.32Å; E948-L950 PolarHBondContact O-N 3.05Å; E948-K951 PolarHBondContact O-N 3.42Å; E948-Q952 WeakPolarHBondContact O-CG 3.44Å; E948-Q952 PolarHBondContact O-N 2.95Å; E948-Q952 VanDerWaalsContact O-N 3.11Å
949	E	88.4	Confident	86	Confident	90 Å²	90	75.3 Å²	75.3	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-36.3	175.4	-63.7	-176.6	131.6	0	0	112	Q945 T946 Q952 Q953	Q945-E949 WeakPolarHBondContact CA-OE2 3.23Å; Q945-E949 HydrophobicContact CB-CB 4.49Å; Q945-E949 VanDerWaalsContact CB-OE2 3.3Å; Q945-E949 WeakPolarHBondContact CB-OE2 3.01Å; T946-E949 PolarHBondContact N-OE2 2.87Å; T946-E949 PolarHBondContact O-N 3.16Å; T946-E949 PolarHBondContact OG1-N 2.85Å; E949-Q952 PolarHBondContact O-N 2.93Å; E949-Q953 PolarHBondContact O-NE2 2.66Å
950	L	89.2	Confident	86.7	Confident	3 Å²	3	78 Å²	78	2%	0.016	38%	0.378	C	S	.	.	H	α-helix	trans	-69.1	-37.5	176	-66	168.4	0	0	0	111.6	Q945 T946 V947 E948 Q952 Q953 L1075 I1078 A1079 C1082 I1164 I1168	Q945-L950 HydrophobicContact CB-CD2 4.45Å; Q945-L950 HydrophobicContact CB-CG 4.47Å; T946-L950 VanDerWaalsContact O-CG 3.31Å; T946-L950 WeakPolarHBondContact O-CG 3.41Å; T946-L950 PolarHBondContact O-N 2.96Å; V947-L950 PolarHBondContact O-N 2.92Å; E948-L950 VanDerWaalsContact C-N 3.32Å; E948-L950 PolarHBondContact O-N 3.05Å; L950-Q952 VanDerWaalsContact C-N 3.31Å; L950-Q952 PolarHBondContact O-N 3.43Å; L950-Q953 VanDerWaalsContact O-CB 3.3Å; L950-Q953 WeakPolarHBondContact O-CB 3.47Å; L950-Q953 WeakPolarHBondContact O-CG 3.27Å; L950-Q953 PolarHBondContact O-N 2.76Å; L950-L1075 HydrophobicContact CB-CD1 3.74Å; L950-I1078 HydrophobicContact CD2-CG2 4.11Å; L950-A1079 HydrophobicContact CD1-CB 3.88Å; L950-C1082 HydrophobicContact CD2-CB 3.93Å; L950-I1164 HydrophobicContact CD1-CG2 3.91Å; L950-I1168 HydrophobicContact CD1-CD1 4.31Å
951	K	88.1	Confident	87.4	Confident	58 Å²	58	82.7 Å²	82.7	25%	0.252	39%	0.386	S	S	.	.	H	α-helix	trans	-66.8	-28.1	173.2	-75.4	168.5	177.6	172	0	113.3	V947 E948 Q953 F956 L1075 E1171	V947-K951 HydrophobicContact CG1-CD 4.17Å; V947-K951 VanDerWaalsContact O-CG 3.3Å; V947-K951 WeakPolarHBondContact O-CG 3.42Å; V947-K951 PolarHBondContact O-N 3.09Å; E948-K951 PolarHBondContact O-N 3.42Å; K951-Q953 PolarHBondContact O-N 2.87Å; K951-F956 HydrophobicContact CB-CD1 4.12Å; K951-F956 HydrophobicContact CB-CE1 4.13Å; K951-F956 HydrophobicContact CG-CD1 4.27Å; K951-F956 HydrophobicContact CG-CE1 3.93Å; K951-F956 HydrophobicContact CG-CZ 4.14Å; K951-F956 VanDerWaalsContact O-CD1 3.24Å; K951-F956 WeakPolarHBondContact O-CD1 3.29Å; K951-L1075 HydrophobicContact CD-CD2 4.37Å; K951-L1075 HydrophobicContact CG-CD1 3.85Å; K951-L1075 HydrophobicContact CG-CD2 3.87Å; K951-E1171 VanDerWaalsContact CE-OE2 3.3Å; K951-E1171 WeakPolarHBondContact CE-OE2 3.49Å; K951-E1171 IonicContact NZ-OE1 2.74Å; K951-E1171 PolarHBondContact NZ-OE1 3.03Å; K951-E1171 IonicContact NZ-OE2 2.83Å; K951-E1171 PolarHBondContact NZ-OE2 3.18Å
952	Q	90.3	Very high	88.3	Confident	148 Å²	148	80.2 Å²	80.2	69%	0.692	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.3	174.5	-70	175.8	39.5	0	0	113.6	E948 E949 L950	E948-Q952 WeakPolarHBondContact O-CG 3.44Å; E948-Q952 PolarHBondContact O-N 2.95Å; E948-Q952 VanDerWaalsContact O-N 3.11Å; E949-Q952 PolarHBondContact O-N 2.93Å; L950-Q952 VanDerWaalsContact C-N 3.31Å; L950-Q952 PolarHBondContact O-N 3.43Å
953	Q	91.3	Very high	88.9	Confident	73 Å²	73	79.2 Å²	79.2	34%	0.341	37%	0.368	S	S	.	.	S	Bend	trans	-63.6	140.2	-179.3	-65.3	-59.6	-28.9	0	0	112.4	E949 L950 K951 G955 F956 V957 I1078	E949-Q953 PolarHBondContact O-NE2 2.66Å; L950-Q953 VanDerWaalsContact O-CB 3.3Å; L950-Q953 WeakPolarHBondContact O-CB 3.47Å; L950-Q953 WeakPolarHBondContact O-CG 3.27Å; L950-Q953 PolarHBondContact O-N 2.76Å; K951-Q953 PolarHBondContact O-N 2.87Å; Q953-G955 PolarHBondContact O-N 3.24Å; Q953-F956 PolarHBondContact O-N 3.44Å; Q953-V957 PolarHBondContact O-N 3.37Å; Q953-V957 VanDerWaalsContact O-N 3.15Å; Q953-I1078 HydrophobicContact CB-CG2 3.9Å; Q953-I1078 HydrophobicContact CG-CG2 3.74Å
954	K	88.6	Confident	89.3	Confident	190 Å²	190	79 Å²	79	83%	0.826	36%	0.362	S	S	*	.	H	α-helix	trans	-53.2	-29.2	-178	-66.9	-176.2	179	-179.2	0	113.4	R958	K954-R958 VanDerWaalsContact O-CB 3.25Å; K954-R958 WeakPolarHBondContact O-CB 3.23Å; K954-R958 PolarHBondContact O-N 2.76Å; K954-R958 VanDerWaalsContact O-N 3.15Å
955	G	84.2	Confident	89.5	Confident	31 Å²	31	85 Å²	85	32%	0.32	38%	0.384	S	S	.	.	H	α-helix	trans	-66.8	-43.7	175.4	0	0	0	0	0	113.9	Q953 E959	Q953-G955 PolarHBondContact O-N 3.24Å; G955-E959 PolarHBondContact O-N 3.18Å
956	F	91.6	Very high	89.8	Confident	17 Å²	17	85.3 Å²	85.3	8%	0.075	39%	0.386	C	S	.	.	H	α-helix	trans	-73.6	-46.6	-179.9	-173.9	-95	0	0	0	111	K951 Q953 R958 E959 Q960 L1071 L1075 I1078	K951-F956 HydrophobicContact CB-CD1 4.12Å; K951-F956 HydrophobicContact CB-CE1 4.13Å; K951-F956 HydrophobicContact CG-CD1 4.27Å; K951-F956 HydrophobicContact CG-CE1 3.93Å; K951-F956 HydrophobicContact CG-CZ 4.14Å; K951-F956 VanDerWaalsContact O-CD1 3.24Å; K951-F956 WeakPolarHBondContact O-CD1 3.29Å; Q953-F956 PolarHBondContact O-N 3.44Å; F956-R958 PolarHBondContact O-N 2.97Å; F956-E959 PolarHBondContact O-N 2.91Å; F956-Q960 PolarHBondContact O-N 2.89Å; F956-L1071 HydrophobicContact CE2-CB 4.07Å; F956-L1071 HydrophobicContact CE2-CD2 3.95Å; F956-L1071 HydrophobicContact CZ-CB 4.4Å; F956-L1071 HydrophobicContact CZ-CD2 4.09Å; F956-L1075 HydrophobicContact CD2-CB 3.89Å; F956-L1075 HydrophobicContact CD2-CD1 4.05Å; F956-L1075 HydrophobicContact CD2-CG 4.45Å; F956-L1075 HydrophobicContact CE2-CB 3.83Å; F956-L1075 HydrophobicContact CE2-CD1 4.34Å; F956-L1075 HydrophobicContact CE2-CD2 4.3Å; F956-L1075 HydrophobicContact CE2-CG 4.39Å; F956-I1078 HydrophobicContact CB-CD1 3.86Å
957	V	91	Very high	89.9	Confident	44 Å²	44	83.8 Å²	83.8	27%	0.267	38%	0.375	S	S	.	.	H	α-helix	trans	-59.3	-33.7	177	179.4	0	0	0	0	111.9	Q953 R961	Q953-V957 PolarHBondContact O-N 3.37Å; Q953-V957 VanDerWaalsContact O-N 3.15Å; V957-R961 WeakPolarHBondContact O-CB 3Å; V957-R961 WeakPolarHBondContact O-CG 3.34Å; V957-R961 PolarHBondContact O-N 3.44Å; V957-R961 VanDerWaalsContact O-N 3.12Å
958	R	90.5	Very high	90.1	Very high	197 Å²	197	88.7 Å²	88.7	74%	0.743	40%	0.396	S	S	*	.	H	α-helix	trans	-66.4	-40.3	174.5	-178.9	175.9	178.6	173.3	0.1	112.3	K954 F956 R961 K962	K954-R958 VanDerWaalsContact O-CB 3.25Å; K954-R958 WeakPolarHBondContact O-CB 3.23Å; K954-R958 PolarHBondContact O-N 2.76Å; K954-R958 VanDerWaalsContact O-N 3.15Å; F956-R958 PolarHBondContact O-N 2.97Å; R958-R961 PolarHBondContact O-N 3.34Å; R958-K962 PolarHBondContact O-N 2.84Å; R958-K962 VanDerWaalsContact O-N 3.09Å
959	E	89.8	Confident	90.2	Very high	39 Å²	39	89.6 Å²	89.6	18%	0.182	40%	0.4	C	S	.	.	H	α-helix	trans	-71.1	-45.1	-179	-160.5	57.8	-148.9	0	0	111.2	G955 F956 R961 K962 Q963 L1071 K1074	G955-E959 PolarHBondContact O-N 3.18Å; F956-E959 PolarHBondContact O-N 2.91Å; E959-R961 VanDerWaalsContact C-N 3.27Å; E959-R961 PolarHBondContact O-N 2.82Å; E959-K962 WeakPolarHBondContact O-CA 3.31Å; E959-K962 WeakPolarHBondContact O-CB 3.49Å; E959-K962 PolarHBondContact O-N 3.13Å; E959-K962 WeakPolarHBondContact OE1-CD 3.33Å; E959-K962 WeakPolarHBondContact OE1-CE 3.43Å; E959-K962 IonicContact OE1-NZ 3.99Å; E959-K962 PolarHBondContact OE1-NZ 2.98Å; E959-Q963 WeakPolarHBondContact O-CG 3.45Å; E959-Q963 PolarHBondContact O-N 3.37Å; E959-L1071 HydrophobicContact CB-CD2 4.43Å; E959-L1071 HydrophobicContact CG-CD2 4.41Å; E959-K1074 HydrophobicContact CB-CG 4.41Å
960	Q	89.1	Confident	90.4	Very high	95 Å²	95	86.8 Å²	86.8	44%	0.444	39%	0.387	S	S	.	.	H	α-helix	trans	-56.6	-40.2	172.7	-169.1	-171.6	69.1	0	0	112	F956 K962 Y964	F956-Q960 PolarHBondContact O-N 2.89Å; Q960-K962 VanDerWaalsContact C-N 3.35Å; Q960-K962 PolarHBondContact O-N 3.4Å; Q960-Y964 WeakPolarHBondContact O-CB 3.36Å; Q960-Y964 PolarHBondContact O-N 3.01Å
961	R	90.9	Very high	90.3	Very high	175 Å²	175	89.4 Å²	89.4	66%	0.66	40%	0.403	S	S	*	.	H	α-helix	trans	-66.8	-29.1	174.2	-76.3	174.5	179.5	-158.6	0.1	113.8	V957 R958 E959 K965	V957-R961 WeakPolarHBondContact O-CB 3Å; V957-R961 WeakPolarHBondContact O-CG 3.34Å; V957-R961 PolarHBondContact O-N 3.44Å; V957-R961 VanDerWaalsContact O-N 3.12Å; R958-R961 PolarHBondContact O-N 3.34Å; E959-R961 VanDerWaalsContact C-N 3.27Å; E959-R961 PolarHBondContact O-N 2.82Å; R961-K965 WeakPolarHBondContact O-CG 3.45Å
962	K	92.3	Very high	90.4	Very high	86 Å²	86	92 Å²	92	37%	0.374	42%	0.415	S	S	.	.	H	α-helix	trans	-71.3	-53.8	173.5	170.5	-168.6	142.5	-151.1	0	109.9	R958 E959 Q960 Y964 K965 E966	R958-K962 PolarHBondContact O-N 2.84Å; R958-K962 VanDerWaalsContact O-N 3.09Å; E959-K962 WeakPolarHBondContact O-CA 3.31Å; E959-K962 WeakPolarHBondContact O-CB 3.49Å; E959-K962 PolarHBondContact O-N 3.13Å; E959-K962 WeakPolarHBondContact OE1-CD 3.33Å; E959-K962 WeakPolarHBondContact OE1-CE 3.43Å; E959-K962 IonicContact OE1-NZ 3.99Å; E959-K962 PolarHBondContact OE1-NZ 2.98Å; Q960-K962 VanDerWaalsContact C-N 3.35Å; Q960-K962 PolarHBondContact O-N 3.4Å; K962-Y964 VanDerWaalsContact C-N 3.28Å; K962-Y964 PolarHBondContact O-N 3.41Å; K962-K965 WeakPolarHBondContact O-CA 3.34Å; K962-K965 WeakPolarHBondContact O-CB 3.47Å; K962-K965 PolarHBondContact O-N 3.15Å; K962-E966 WeakPolarHBondContact CE-OE1 3.24Å; K962-E966 WeakPolarHBondContact CG-OE1 3.49Å; K962-E966 PolarHBondContact O-N 3.22Å; K962-E966 VanDerWaalsContact O-N 3.14Å
963	Q	92.7	Very high	90.4	Very high	12 Å²	12	91.4 Å²	91.4	6%	0.056	41%	0.41	C	S	.	.	H	α-helix	trans	-57	-40.2	-180	-67.7	-176	-20	0	0	112.5	E959 K965 E966 M967 H1067	E959-Q963 WeakPolarHBondContact O-CG 3.45Å; E959-Q963 PolarHBondContact O-N 3.37Å; Q963-K965 VanDerWaalsContact C-N 3.33Å; Q963-K965 PolarHBondContact O-N 3.47Å; Q963-E966 PolarHBondContact O-N 3.33Å; Q963-M967 PolarHBondContact O-N 3.4Å; Q963-H1067 HydrophobicContact CG-CB 4.25Å; Q963-H1067 PolarHBondContact NE2-O 2.74Å; Q963-H1067 PolarHBondContact O-CE1 2.92Å
964	Y	89.4	Confident	90.4	Very high	147 Å²	147	88.4 Å²	88.4	58%	0.576	40%	0.396	S	S	*	.	H	α-helix	trans	-61	-36	173.4	178.8	-97.1	0	0	0	113.5	Q960 K962 K968	Q960-Y964 WeakPolarHBondContact O-CB 3.36Å; Q960-Y964 PolarHBondContact O-N 3.01Å; K962-Y964 VanDerWaalsContact C-N 3.28Å; K962-Y964 PolarHBondContact O-N 3.41Å; Y964-K968 HydrophobicContact CE1-CD 3.93Å; Y964-K968 VanDerWaalsContact O-CB 3.24Å; Y964-K968 WeakPolarHBondContact O-CB 3.24Å; Y964-K968 PolarHBondContact O-N 2.99Å
965	K	91.6	Very high	90.3	Very high	146 Å²	146	84.9 Å²	84.9	64%	0.635	38%	0.382	S	S	*	.	H	α-helix	trans	-67.2	-46.3	174.7	-72.6	178.2	177.7	-171.9	0	111.2	R961 K962 Q963 M967 K968 E969	R961-K965 WeakPolarHBondContact O-CG 3.45Å; K962-K965 WeakPolarHBondContact O-CA 3.34Å; K962-K965 WeakPolarHBondContact O-CB 3.47Å; K962-K965 PolarHBondContact O-N 3.15Å; Q963-K965 VanDerWaalsContact C-N 3.33Å; Q963-K965 PolarHBondContact O-N 3.47Å; K965-M967 PolarHBondContact O-N 2.96Å; K965-K968 WeakPolarHBondContact O-CB 3.47Å; K965-K968 PolarHBondContact O-N 3.48Å; K965-K968 VanDerWaalsContact O-N 3.12Å; K965-E969 PolarHBondContact O-N 2.93Å
966	E	91.9	Very high	90.6	Very high	67 Å²	67	91.5 Å²	91.5	31%	0.313	40%	0.397	S	S	.	.	H	α-helix	trans	-59	-47.7	179.3	-66.7	168.3	-174.3	0	0	111.4	K962 Q963 K968 E969 L970 L1063 H1067	K962-E966 WeakPolarHBondContact CE-OE1 3.24Å; K962-E966 WeakPolarHBondContact CG-OE1 3.49Å; K962-E966 PolarHBondContact O-N 3.22Å; K962-E966 VanDerWaalsContact O-N 3.14Å; Q963-E966 PolarHBondContact O-N 3.33Å; E966-K968 PolarHBondContact O-N 3.29Å; E966-E969 PolarHBondContact O-N 3.35Å; E966-L970 PolarHBondContact O-N 3.37Å; E966-L1063 HydrophobicContact CB-CD2 4.34Å; E966-H1067 IonicContact OE2-CD2 2.64Å; E966-H1067 IonicContact OE2-CE1 2.68Å; E966-H1067 IonicContact OE2-NE2 2.68Å; E966-H1067 PolarHBondContact OE2-NE2 3.2Å
967	M	91.7	Very high	90.4	Very high	29 Å²	29	94.9 Å²	94.9	14%	0.143	41%	0.412	C	S	.	.	H	α-helix	trans	-58.7	-44.1	172.9	-74.2	-61.7	-62.2	0	0	112.2	Q963 K965 E969 L970 V971 E1060 L1063 K1064	Q963-M967 PolarHBondContact O-N 3.4Å; K965-M967 PolarHBondContact O-N 2.96Å; M967-E969 VanDerWaalsContact C-N 3.27Å; M967-E969 PolarHBondContact O-N 3.31Å; M967-L970 PolarHBondContact O-N 3.43Å; M967-V971 WeakPolarHBondContact O-CG2 3.48Å; M967-V971 PolarHBondContact O-N 3.15Å; M967-E1060 HydrophobicContact CE-CB 4.01Å; M967-E1060 HydrophobicContact CE-CG 4.05Å; M967-L1063 HydrophobicContact CG-CD2 4.41Å; M967-L1063 HydrophobicContact SD-CB 3.92Å; M967-L1063 HydrophobicContact SD-CD2 3.66Å; M967-L1063 HydrophobicContact SD-CG 3.74Å; M967-K1064 HydrophobicContact CE-CG 3.89Å; M967-K1064 HydrophobicContact SD-CG 4.09Å
968	K	91.2	Very high	90.2	Very high	106 Å²	106	93.3 Å²	93.3	46%	0.461	40%	0.402	S	S	.	.	H	α-helix	trans	-65.1	-28.9	179.4	-169.9	168	-172.2	165.1	0	112.7	Y964 K965 E966 K972	Y964-K968 HydrophobicContact CE1-CD 3.93Å; Y964-K968 VanDerWaalsContact O-CB 3.24Å; Y964-K968 WeakPolarHBondContact O-CB 3.24Å; Y964-K968 PolarHBondContact O-N 2.99Å; K965-K968 WeakPolarHBondContact O-CB 3.47Å; K965-K968 PolarHBondContact O-N 3.48Å; K965-K968 VanDerWaalsContact O-N 3.12Å; E966-K968 PolarHBondContact O-N 3.29Å; K968-K972 WeakPolarHBondContact O-CD 3.25Å; K968-K972 VanDerWaalsContact O-CG 3.24Å; K968-K972 WeakPolarHBondContact O-CG 3.47Å; K968-K972 PolarHBondContact O-N 3.23Å
969	E	91	Very high	90.1	Very high	129 Å²	129	85.7 Å²	85.7	60%	0.603	38%	0.38	S	S	*	.	H	α-helix	trans	-81	-38.3	174.7	-71.2	-175.9	174.6	0	0	112.7	K965 E966 M967 K972 K973	K965-E969 PolarHBondContact O-N 2.93Å; E966-E969 PolarHBondContact O-N 3.35Å; M967-E969 VanDerWaalsContact C-N 3.27Å; M967-E969 PolarHBondContact O-N 3.31Å; E969-K972 WeakPolarHBondContact O-CB 3.3Å; E969-K972 PolarHBondContact O-N 3.06Å; E969-K973 PolarHBondContact O-N 2.67Å
970	L	91.9	Very high	90.1	Very high	30 Å²	30	89.2 Å²	89.2	16%	0.157	40%	0.396	C	S	.	.	H	α-helix	trans	-60.3	-47.1	172.2	-178	63.3	0	0	0	111.6	E966 M967 K972 K973 H974 E1060 L1063	E966-L970 PolarHBondContact O-N 3.37Å; M967-L970 PolarHBondContact O-N 3.43Å; L970-K972 PolarHBondContact O-N 3.12Å; L970-K973 WeakPolarHBondContact O-CB 3.31Å; L970-K973 PolarHBondContact O-N 3.05Å; L970-K973 VanDerWaalsContact O-N 3.09Å; L970-H974 PolarHBondContact O-CD2 3Å; L970-H974 PolarHBondContact O-N 2.95Å; L970-H974 VanDerWaalsContact O-N 3.08Å; L970-E1060 HydrophobicContact CD2-CG 4.43Å; L970-L1063 HydrophobicContact CB-CD2 4.28Å; L970-L1063 HydrophobicContact CD2-CB 4.09Å; L970-L1063 HydrophobicContact CD2-CD2 3.73Å
971	V	87.4	Confident	90	Very high	58 Å²	58	85.7 Å²	85.7	35%	0.352	38%	0.38	S	S	.	.	H	α-helix	trans	-59.9	-43.9	176.3	172.4	0	0	0	0	111.1	M967 K973 H974 H975 E1060	M967-V971 WeakPolarHBondContact O-CG2 3.48Å; M967-V971 PolarHBondContact O-N 3.15Å; V971-K973 VanDerWaalsContact C-N 3.32Å; V971-K973 PolarHBondContact O-N 3.42Å; V971-H974 PolarHBondContact O-N 2.69Å; V971-H975 VanDerWaalsContact O-CB 3.28Å; V971-H975 WeakPolarHBondContact O-CB 3.27Å; V971-H975 PolarHBondContact O-N 3.04Å; V971-E1060 HydrophobicContact CG2-CG 4.41Å
972	K	89.5	Confident	89.8	Confident	113 Å²	113	79.6 Å²	79.6	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-58.3	-40.9	173.4	-77.7	169.8	179.4	179.2	0	112.3	K968 E969 L970 H975 R976	K968-K972 WeakPolarHBondContact O-CD 3.25Å; K968-K972 VanDerWaalsContact O-CG 3.24Å; K968-K972 WeakPolarHBondContact O-CG 3.47Å; K968-K972 PolarHBondContact O-N 3.23Å; E969-K972 WeakPolarHBondContact O-CB 3.3Å; E969-K972 PolarHBondContact O-N 3.06Å; L970-K972 PolarHBondContact O-N 3.12Å; K972-H975 PolarHBondContact O-N 3.42Å; K972-R976 WeakPolarHBondContact O-CG 3.34Å; K972-R976 PolarHBondContact O-N 2.89Å
973	K	90.6	Very high	89.5	Confident	135 Å²	135	82.5 Å²	82.5	59%	0.587	37%	0.373	S	S	*	.	H	α-helix	trans	-63.7	-45.5	-179.9	-172.1	-179.7	-178.8	-179.4	0	111.8	E969 L970 V971 K977	E969-K973 PolarHBondContact O-N 2.67Å; L970-K973 WeakPolarHBondContact O-CB 3.31Å; L970-K973 PolarHBondContact O-N 3.05Å; L970-K973 VanDerWaalsContact O-N 3.09Å; V971-K973 VanDerWaalsContact C-N 3.32Å; V971-K973 PolarHBondContact O-N 3.42Å; K973-K977 PolarHBondContact O-N 3.36Å
974	H	90.4	Very high	89.3	Confident	11 Å²	11	86.2 Å²	86.2	5%	0.051	39%	0.39	C	S	.	.	H	α-helix	trans	-72.4	-35.7	176.6	-77.2	-100.1	0	0	0	112.8	L970 V971 R976 K977 T978 Q1056	L970-H974 PolarHBondContact O-CD2 3Å; L970-H974 PolarHBondContact O-N 2.95Å; L970-H974 VanDerWaalsContact O-N 3.08Å; V971-H974 PolarHBondContact O-N 2.69Å; H974-R976 VanDerWaalsContact C-N 3.32Å; H974-R976 PolarHBondContact O-N 3.34Å; H974-K977 PolarHBondContact O-N 3.04Å; H974-T978 WeakPolarHBondContact O-CB 3.35Å; H974-T978 PolarHBondContact O-N 2.73Å; H974-T978 PolarHBondContact O-OG1 3.2Å; H974-Q1056 HydrophobicContact CB-CB 3.91Å; H974-Q1056 HydrophobicContact CB-CG 3.73Å; H974-Q1056 VanDerWaalsContact ND1-CA 3.34Å; H974-Q1056 WeakPolarHBondContact ND1-CA 3.47Å
975	H	87.9	Confident	89	Confident	116 Å²	116	79.3 Å²	79.3	54%	0.537	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-36.1	175.5	-175.4	72.3	0	0	0	112.6	V971 K972 S979	V971-H975 VanDerWaalsContact O-CB 3.28Å; V971-H975 WeakPolarHBondContact O-CB 3.27Å; V971-H975 PolarHBondContact O-N 3.04Å; K972-H975 PolarHBondContact O-N 3.42Å; H975-S979 WeakPolarHBondContact O-CB 3.08Å; H975-S979 PolarHBondContact O-N 3.01Å; H975-S979 PolarHBondContact O-OG 3.45Å
976	R	89.3	Confident	88.6	Confident	169 Å²	169	75.6 Å²	75.6	64%	0.638	35%	0.353	S	S	*	.	H	α-helix	trans	-61.3	-56.1	171.4	-75.7	176.8	-178.7	179.6	-0.5	111.9	K972 H974 T978 S979 E980	K972-R976 WeakPolarHBondContact O-CG 3.34Å; K972-R976 PolarHBondContact O-N 2.89Å; H974-R976 VanDerWaalsContact C-N 3.32Å; H974-R976 PolarHBondContact O-N 3.34Å; R976-T978 VanDerWaalsContact C-N 3.26Å; R976-T978 PolarHBondContact O-N 3.43Å; R976-S979 WeakPolarHBondContact O-CA 3.46Å; R976-S979 WeakPolarHBondContact O-CB 3.34Å; R976-S979 PolarHBondContact O-N 2.87Å; R976-E980 WeakPolarHBondContact O-CG 3.48Å; R976-E980 PolarHBondContact O-N 3.1Å
977	K	88.9	Confident	88.3	Confident	89 Å²	89	75.2 Å²	75.2	39%	0.387	36%	0.361	S	S	.	.	H	α-helix	trans	-51.4	-45.5	176.6	-70.7	-172.9	173.6	-171.8	0	112.5	K973 H974 E980 L981 L1052	K973-K977 PolarHBondContact O-N 3.36Å; H974-K977 PolarHBondContact O-N 3.04Å; K977-E980 PolarHBondContact O-N 3.32Å; K977-L981 PolarHBondContact O-N 3.27Å; K977-L1052 HydrophobicContact CB-CD2 3.8Å; K977-L1052 HydrophobicContact CD-CD2 3.9Å
978	T	87.1	Confident	88	Confident	10 Å²	10	78.5 Å²	78.5	6%	0.061	37%	0.372	C	S	.	.	H	α-helix	trans	-63.3	-43.3	179.5	-56.2	0	0	0	0	111.3	H974 R976 E980 I982 L1049	H974-T978 WeakPolarHBondContact O-CB 3.35Å; H974-T978 PolarHBondContact O-N 2.73Å; H974-T978 PolarHBondContact O-OG1 3.2Å; R976-T978 VanDerWaalsContact C-N 3.26Å; R976-T978 PolarHBondContact O-N 3.43Å; T978-E980 VanDerWaalsContact C-N 3.34Å; T978-I982 HydrophobicContact CG2-CD1 3.97Å; T978-I982 WeakPolarHBondContact O-CD1 3.39Å; T978-I982 VanDerWaalsContact O-CG1 3.26Å; T978-I982 WeakPolarHBondContact O-CG1 3.21Å; T978-I982 PolarHBondContact O-N 3.44Å; T978-I982 VanDerWaalsContact O-N 3.11Å; T978-L1049 HydrophobicContact CG2-CD1 3.65Å
979	S	87.4	Confident	87.7	Confident	38 Å²	38	74.7 Å²	74.7	27%	0.266	36%	0.358	S	S	.	.	H	α-helix	trans	-67.7	-32.3	177.2	-59.9	0	0	0	0	113.2	H975 R976 K983	H975-S979 WeakPolarHBondContact O-CB 3.08Å; H975-S979 PolarHBondContact O-N 3.01Å; H975-S979 PolarHBondContact O-OG 3.45Å; R976-S979 WeakPolarHBondContact O-CA 3.46Å; R976-S979 WeakPolarHBondContact O-CB 3.34Å; R976-S979 PolarHBondContact O-N 2.87Å; S979-K983 WeakPolarHBondContact O-CD 3.49Å; S979-K983 VanDerWaalsContact O-CG 3.27Å; S979-K983 WeakPolarHBondContact O-CG 3.4Å; S979-K983 PolarHBondContact O-N 3.34Å
980	E	89.3	Confident	87.4	Confident	112 Å²	112	71.7 Å²	71.7	52%	0.523	35%	0.351	S	S	.	.	H	α-helix	trans	-70.1	-48.5	175.7	-74.2	151	-166.1	0	0	110.9	R976 K977 T978 I982 K983 E984	R976-E980 WeakPolarHBondContact O-CG 3.48Å; R976-E980 PolarHBondContact O-N 3.1Å; K977-E980 PolarHBondContact O-N 3.32Å; T978-E980 VanDerWaalsContact C-N 3.34Å; E980-I982 VanDerWaalsContact C-N 3.34Å; E980-I982 PolarHBondContact O-N 3.26Å; E980-K983 WeakPolarHBondContact O-CB 3.41Å; E980-K983 PolarHBondContact O-N 3.34Å; E980-K983 VanDerWaalsContact O-N 3.16Å; E980-E984 PolarHBondContact O-N 2.93Å
981	L	87.6	Confident	87.2	Confident	21 Å²	21	77 Å²	77	11%	0.11	37%	0.374	C	S	.	.	H	α-helix	trans	-57.9	-43.7	175.1	-180	67.9	0	0	0	112.3	K977 K983 E984 Q985 Q1048 L1052	K977-L981 PolarHBondContact O-N 3.27Å; L981-K983 VanDerWaalsContact C-N 3.31Å; L981-K983 PolarHBondContact O-N 2.97Å; L981-E984 PolarHBondContact O-N 2.88Å; L981-Q985 HydrophobicContact CD1-CG 4.12Å; L981-Q985 HydrophobicContact CG-CG 4.42Å; L981-Q985 WeakPolarHBondContact O-CG 3.22Å; L981-Q985 PolarHBondContact O-N 3.18Å; L981-Q1048 HydrophobicContact CD2-CB 3.93Å; L981-L1052 HydrophobicContact CB-CD1 4.3Å; L981-L1052 HydrophobicContact CD2-CD1 3.83Å
982	I	86	Confident	87.1	Confident	48 Å²	48	75.6 Å²	75.6	25%	0.246	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-39.5	179	-70.1	164.4	0	0	0	111	T978 E980 T986 F1197	T978-I982 HydrophobicContact CG2-CD1 3.97Å; T978-I982 WeakPolarHBondContact O-CD1 3.39Å; T978-I982 VanDerWaalsContact O-CG1 3.26Å; T978-I982 WeakPolarHBondContact O-CG1 3.21Å; T978-I982 PolarHBondContact O-N 3.44Å; T978-I982 VanDerWaalsContact O-N 3.11Å; E980-I982 VanDerWaalsContact C-N 3.34Å; E980-I982 PolarHBondContact O-N 3.26Å; I982-T986 VanDerWaalsContact O-CB 3.31Å; I982-T986 WeakPolarHBondContact O-CB 3.49Å; I982-T986 PolarHBondContact O-N 2.85Å; I982-T986 PolarHBondContact O-OG1 3.12Å; I982-F1197 HydrophobicContact CD1-CE1 3.98Å; I982-F1197 HydrophobicContact CD1-CZ 3.89Å; I982-F1197 HydrophobicContact CG1-CE1 4.43Å
983	K	87.4	Confident	86.8	Confident	146 Å²	146	74 Å²	74	64%	0.635	36%	0.359	S	S	*	.	H	α-helix	trans	-65.9	-44.9	174.5	-72.4	167.9	-177.1	177.7	0	111.9	S979 E980 L981 T986 A987	S979-K983 WeakPolarHBondContact O-CD 3.49Å; S979-K983 VanDerWaalsContact O-CG 3.27Å; S979-K983 WeakPolarHBondContact O-CG 3.4Å; S979-K983 PolarHBondContact O-N 3.34Å; E980-K983 WeakPolarHBondContact O-CB 3.41Å; E980-K983 PolarHBondContact O-N 3.34Å; E980-K983 VanDerWaalsContact O-N 3.16Å; L981-K983 VanDerWaalsContact C-N 3.31Å; L981-K983 PolarHBondContact O-N 2.97Å; K983-T986 PolarHBondContact O-N 2.91Å; K983-A987 PolarHBondContact O-N 2.8Å
984	E	86.9	Confident	86.5	Confident	91 Å²	91	69.4 Å²	69.4	43%	0.425	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-48.9	179.6	-172.2	-176.8	-176.5	0	0	111.6	E980 L981 T986 A987 R988	E980-E984 PolarHBondContact O-N 2.93Å; L981-E984 PolarHBondContact O-N 2.88Å; E984-T986 VanDerWaalsContact C-N 3.32Å; E984-T986 PolarHBondContact O-N 2.97Å; E984-A987 WeakPolarHBondContact O-CB 3.08Å; E984-A987 PolarHBondContact O-N 2.89Å; E984-A987 VanDerWaalsContact O-N 3.13Å; E984-R988 WeakPolarHBondContact O-CG 3.24Å; E984-R988 PolarHBondContact O-N 3.15Å; E984-R988 IonicContact OE1-CZ 2.73Å; E984-R988 IonicContact OE1-NE 2.94Å; E984-R988 PolarHBondContact OE1-NE 2.91Å; E984-R988 IonicContact OE1-NH2 3.7Å; E984-R988 PolarHBondContact OE1-NH2 2.84Å
985	Q	83.4	Confident	86.1	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-64.6	-36.8	177.3	-69.4	-70.6	13.6	0	0	111.9	L981 A987 R988 V989 Q1045	L981-Q985 HydrophobicContact CD1-CG 4.12Å; L981-Q985 HydrophobicContact CG-CG 4.42Å; L981-Q985 WeakPolarHBondContact O-CG 3.22Å; L981-Q985 PolarHBondContact O-N 3.18Å; Q985-A987 VanDerWaalsContact C-N 3.31Å; Q985-A987 PolarHBondContact O-N 2.96Å; Q985-R988 PolarHBondContact O-N 2.74Å; Q985-V989 WeakPolarHBondContact O-CG2 3.39Å; Q985-V989 PolarHBondContact O-N 3.29Å; Q985-Q1045 HydrophobicContact CB-CG 4.31Å; Q985-Q1045 HydrophobicContact CG-CB 4.45Å; Q985-Q1045 HydrophobicContact CG-CG 4.28Å
986	T	84.4	Confident	86	Confident	68 Å²	68	70.4 Å²	70.4	42%	0.417	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-38.3	172.8	-58.9	0	0	0	0	112.1	I982 K983 E984 S990	I982-T986 VanDerWaalsContact O-CB 3.31Å; I982-T986 WeakPolarHBondContact O-CB 3.49Å; I982-T986 PolarHBondContact O-N 2.85Å; I982-T986 PolarHBondContact O-OG1 3.12Å; K983-T986 PolarHBondContact O-N 2.91Å; E984-T986 VanDerWaalsContact C-N 3.32Å; E984-T986 PolarHBondContact O-N 2.97Å; T986-S990 PolarHBondContact O-N 2.88Å; T986-S990 VanDerWaalsContact O-N 3.15Å
987	A	85.9	Confident	85.8	Confident	59 Å²	59	68.8 Å²	68.8	49%	0.488	35%	0.349	S	S	.	.	H	α-helix	trans	-67.8	-46.5	176	0	0	0	0	0	111.8	K983 E984 Q985 V989 S990 E991	K983-A987 PolarHBondContact O-N 2.8Å; E984-A987 WeakPolarHBondContact O-CB 3.08Å; E984-A987 PolarHBondContact O-N 2.89Å; E984-A987 VanDerWaalsContact O-N 3.13Å; Q985-A987 VanDerWaalsContact C-N 3.31Å; Q985-A987 PolarHBondContact O-N 2.96Å; A987-V989 PolarHBondContact O-N 3.42Å; A987-S990 CarbonylContact O-C 3.24Å; A987-S990 WeakPolarHBondContact O-CA 3.4Å; A987-S990 WeakPolarHBondContact O-CB 3.11Å; A987-S990 PolarHBondContact O-N 3.06Å; A987-S990 VanDerWaalsContact O-N 3.07Å; A987-E991 PolarHBondContact O-N 2.85Å
988	R	84.9	Confident	85.6	Confident	99 Å²	99	72.8 Å²	72.8	37%	0.374	36%	0.361	S	S	.	.	H	α-helix	trans	-58	-44.1	177.2	-69.4	174.9	-177.2	-171.2	-0	112.5	E984 Q985 S990 E991 L992	E984-R988 WeakPolarHBondContact O-CG 3.24Å; E984-R988 PolarHBondContact O-N 3.15Å; E984-R988 IonicContact OE1-CZ 2.73Å; E984-R988 IonicContact OE1-NE 2.94Å; E984-R988 PolarHBondContact OE1-NE 2.91Å; E984-R988 IonicContact OE1-NH2 3.7Å; E984-R988 PolarHBondContact OE1-NH2 2.84Å; Q985-R988 PolarHBondContact O-N 2.74Å; R988-S990 VanDerWaalsContact C-N 3.34Å; R988-S990 PolarHBondContact O-N 2.73Å; R988-E991 PolarHBondContact O-N 2.73Å; R988-L992 PolarHBondContact O-N 2.7Å
989	V	84.6	Confident	85.5	Confident	26 Å²	26	77.3 Å²	77.3	16%	0.158	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-41.4	174.5	171.7	0	0	0	0	111.3	Q985 A987 E991 Q993 L1038	Q985-V989 WeakPolarHBondContact O-CG2 3.39Å; Q985-V989 PolarHBondContact O-N 3.29Å; A987-V989 PolarHBondContact O-N 3.42Å; V989-E991 VanDerWaalsContact C-N 3.35Å; V989-E991 PolarHBondContact O-N 3.36Å; V989-Q993 WeakPolarHBondContact O-CB 3.47Å; V989-Q993 VanDerWaalsContact O-CG 3.28Å; V989-Q993 WeakPolarHBondContact O-CG 3.35Å; V989-Q993 PolarHBondContact O-N 2.86Å; V989-L1038 HydrophobicContact CG1-CD1 4.13Å
990	S	84.5	Confident	85.3	Confident	65 Å²	65	79 Å²	79	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-67.5	-33.4	177.3	-163.9	0	0	0	0	113.1	T986 A987 R988 S994	T986-S990 PolarHBondContact O-N 2.88Å; T986-S990 VanDerWaalsContact O-N 3.15Å; A987-S990 CarbonylContact O-C 3.24Å; A987-S990 WeakPolarHBondContact O-CA 3.4Å; A987-S990 WeakPolarHBondContact O-CB 3.11Å; A987-S990 PolarHBondContact O-N 3.06Å; A987-S990 VanDerWaalsContact O-N 3.07Å; R988-S990 VanDerWaalsContact C-N 3.34Å; R988-S990 PolarHBondContact O-N 2.73Å; S990-S994 PolarHBondContact O-N 3.37Å
991	E	86.8	Confident	84.9	Confident	141 Å²	141	75.8 Å²	75.8	66%	0.659	37%	0.368	S	S	*	.	H	α-helix	trans	-71.3	-45.9	176	-177.3	167.4	-151.5	0	0	111.4	A987 R988 V989 Q993 S994 Q995	A987-E991 PolarHBondContact O-N 2.85Å; R988-E991 PolarHBondContact O-N 2.73Å; V989-E991 VanDerWaalsContact C-N 3.35Å; V989-E991 PolarHBondContact O-N 3.36Å; E991-Q993 VanDerWaalsContact C-N 3.3Å; E991-Q993 PolarHBondContact O-N 2.99Å; E991-S994 PolarHBondContact O-N 2.84Å; E991-S994 VanDerWaalsContact O-N 3.1Å; E991-Q995 WeakPolarHBondContact O-CB 3.44Å; E991-Q995 PolarHBondContact O-N 3.36Å
992	L	85.5	Confident	84.7	Confident	29 Å²	29	79 Å²	79	15%	0.152	39%	0.389	C	S	.	.	H	α-helix	trans	-54.5	-47	173.3	-170.1	93.7	0	0	0	110.9	R988 S994 Q995 H996 K1037 L1038 L1041	R988-L992 PolarHBondContact O-N 2.7Å; L992-S994 PolarHBondContact O-N 3.19Å; L992-Q995 PolarHBondContact O-N 3.36Å; L992-H996 VanDerWaalsContact O-CB 3.31Å; L992-H996 WeakPolarHBondContact O-CB 3.44Å; L992-H996 PolarHBondContact O-N 3.25Å; L992-K1037 HydrophobicContact CD1-CB 4.14Å; L992-K1037 HydrophobicContact CD1-CD 4.46Å; L992-K1037 HydrophobicContact CD2-CB 4.25Å; L992-L1038 HydrophobicContact CD2-CB 4.17Å; L992-L1041 HydrophobicContact CD2-CD1 4.21Å
993	Q	83.4	Confident	84.3	Confident	79 Å²	79	79 Å²	79	37%	0.369	39%	0.388	S	S	.	.	H	α-helix	trans	-61.2	-42.1	176.6	-73.8	176.5	-31	0	0	112.2	V989 E991 Q997	V989-Q993 WeakPolarHBondContact O-CB 3.47Å; V989-Q993 VanDerWaalsContact O-CG 3.28Å; V989-Q993 WeakPolarHBondContact O-CG 3.35Å; V989-Q993 PolarHBondContact O-N 2.86Å; E991-Q993 VanDerWaalsContact C-N 3.3Å; E991-Q993 PolarHBondContact O-N 2.99Å; Q993-Q997 WeakPolarHBondContact O-CB 3.38Å; Q993-Q997 PolarHBondContact O-N 3.05Å
994	S	83.8	Confident	83.8	Confident	39 Å²	39	75.5 Å²	75.5	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-66.9	-42.1	175.7	-164.7	0	0	0	0	112.3	S990 E991 L992 Q997 R998	S990-S994 PolarHBondContact O-N 3.37Å; E991-S994 PolarHBondContact O-N 2.84Å; E991-S994 VanDerWaalsContact O-N 3.1Å; L992-S994 PolarHBondContact O-N 3.19Å; S994-Q997 PolarHBondContact O-N 3.18Å; S994-R998 WeakPolarHBondContact O-CB 3.28Å; S994-R998 WeakPolarHBondContact O-CG 3.07Å; S994-R998 PolarHBondContact O-N 2.9Å; S994-R998 PolarHBondContact OG-NE 3.37Å; S994-R998 PolarHBondContact OG-NH2 3.3Å
995	Q	83.8	Confident	83.3	Confident	116 Å²	116	77.3 Å²	77.3	54%	0.542	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-42.9	177.9	-167.9	-171.3	41.8	0	0	111.2	E991 L992 R998 R999	E991-Q995 WeakPolarHBondContact O-CB 3.44Å; E991-Q995 PolarHBondContact O-N 3.36Å; L992-Q995 PolarHBondContact O-N 3.36Å; Q995-R998 PolarHBondContact O-N 3.28Å; Q995-R999 PolarHBondContact O-N 3.4Å
996	H	86.2	Confident	82.5	Confident	33 Å²	33	79.3 Å²	79.3	15%	0.153	40%	0.395	C	S	.	.	H	α-helix	trans	-58.1	-52.1	173.7	178.3	-118.9	0	0	0	111.6	L992 R998 R999 R1000 D1031 C1034	L992-H996 VanDerWaalsContact O-CB 3.31Å; L992-H996 WeakPolarHBondContact O-CB 3.44Å; L992-H996 PolarHBondContact O-N 3.25Å; H996-R998 VanDerWaalsContact C-N 3.26Å; H996-R998 PolarHBondContact O-N 2.91Å; H996-R999 PolarHBondContact O-N 3.21Å; H996-R999 VanDerWaalsContact O-N 3.13Å; H996-R1000 WeakPolarHBondContact O-CB 3.41Å; H996-R1000 PolarHBondContact O-N 3.22Å; H996-D1031 IonicContact CE1-OD1 3.2Å; H996-D1031 PolarHBondContact CE1-OD1 3Å; H996-D1031 IonicContact NE2-OD1 2.78Å; H996-D1031 PolarHBondContact NE2-OD1 3.04Å; H996-C1034 HydrophobicContact CB-CB 4.45Å
997	Q	83.8	Confident	81.6	Confident	134 Å²	134	79 Å²	79	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-62.1	-32.8	179.6	-159.8	176.4	27.1	0	0	112.3	Q993 S994 S1001	Q993-Q997 WeakPolarHBondContact O-CB 3.38Å; Q993-Q997 PolarHBondContact O-N 3.05Å; S994-Q997 PolarHBondContact O-N 3.18Å; Q997-S1001 WeakPolarHBondContact O-CB 3.36Å; Q997-S1001 PolarHBondContact O-N 2.74Å; Q997-S1001 PolarHBondContact O-OG 3.44Å
998	R	85.1	Confident	80.5	Confident	173 Å²	173	84.5 Å²	84.5	65%	0.653	40%	0.401	S	S	*	.	H	α-helix	trans	-68.9	-44.4	171.7	-70.2	170.7	-158	-158.8	6.5	112.9	S994 Q995 H996 S1001 T1002	S994-R998 WeakPolarHBondContact O-CB 3.28Å; S994-R998 WeakPolarHBondContact O-CG 3.07Å; S994-R998 PolarHBondContact O-N 2.9Å; S994-R998 PolarHBondContact OG-NE 3.37Å; S994-R998 PolarHBondContact OG-NH2 3.3Å; Q995-R998 PolarHBondContact O-N 3.28Å; H996-R998 VanDerWaalsContact C-N 3.26Å; H996-R998 PolarHBondContact O-N 2.91Å; R998-S1001 PolarHBondContact O-N 2.63Å; R998-T1002 WeakPolarHBondContact O-CB 3.3Å; R998-T1002 PolarHBondContact O-N 3.45Å; R998-T1002 PolarHBondContact O-OG1 3.3Å
999	R	84.4	Confident	79.3	Confident	106 Å²	106	89.3 Å²	89.3	40%	0.4	42%	0.42	S	S	.	.	H	α-helix	trans	-61.2	-51.5	175.2	-77.1	177.3	70.4	-164.5	-4	110.7	Q995 H996 S1001 T1002 L1003 L1030 E1033	Q995-R999 PolarHBondContact O-N 3.4Å; H996-R999 PolarHBondContact O-N 3.21Å; H996-R999 VanDerWaalsContact O-N 3.13Å; R999-S1001 VanDerWaalsContact C-N 3.34Å; R999-S1001 PolarHBondContact O-N 2.56Å; R999-T1002 WeakPolarHBondContact O-CA 3.34Å; R999-T1002 WeakPolarHBondContact O-CB 3.39Å; R999-T1002 PolarHBondContact O-N 2.82Å; R999-L1003 PolarHBondContact O-N 2.86Å; R999-L1030 HydrophobicContact CB-CD1 4.22Å; R999-L1030 HydrophobicContact CB-CD2 3.89Å; R999-E1033 IonicContact CZ-OE1 3.07Å; R999-E1033 IonicContact CZ-OE2 3.23Å; R999-E1033 VanDerWaalsContact CZ-OE2 3.23Å; R999-E1033 IonicContact NH1-OE1 3.18Å; R999-E1033 PolarHBondContact NH1-OE1 3.08Å; R999-E1033 IonicContact NH1-OE2 3.88Å; R999-E1033 PolarHBondContact NH1-OE2 3.17Å; R999-E1033 IonicContact NH2-OE2 2.76Å; R999-E1033 PolarHBondContact NH2-OE2 3.19Å
1000	R	83.5	Confident	77.9	Confident	74 Å²	74	93.8 Å²	93.8	28%	0.279	44%	0.443	S	S	.	.	H	α-helix	trans	-53.2	-47.9	174.6	-172.6	169.6	-167.8	89	-4.2	112	H996 T1002 Q1004 L1027 L1030 D1031	H996-R1000 WeakPolarHBondContact O-CB 3.41Å; H996-R1000 PolarHBondContact O-N 3.22Å; R1000-T1002 PolarHBondContact O-N 2.68Å; R1000-Q1004 WeakPolarHBondContact O-CB 3.44Å; R1000-Q1004 WeakPolarHBondContact O-CG 3.26Å; R1000-Q1004 PolarHBondContact O-N 2.98Å; R1000-Q1004 VanDerWaalsContact O-N 3.15Å; R1000-L1027 HydrophobicContact CG-CD2 3.9Å; R1000-L1030 HydrophobicContact CB-CD2 4.12Å; R1000-D1031 IonicContact CZ-OD1 3.53Å; R1000-D1031 IonicContact CZ-OD2 3.36Å; R1000-D1031 IonicContact NH1-OD1 2.74Å; R1000-D1031 PolarHBondContact NH1-OD1 3.38Å; R1000-D1031 IonicContact NH1-OD2 2.68Å; R1000-D1031 PolarHBondContact NH1-OD2 2.89Å; R1000-D1031 IonicContact NH2-OD2 3.34Å; R1000-D1031 PolarHBondContact NH2-OD2 3.27Å
1001	S	81.3	Confident	76.5	Confident	43 Å²	43	93.7 Å²	93.7	30%	0.301	45%	0.452	S	S	.	.	H	α-helix	trans	-65.1	-20.4	175.9	-64.1	0	0	0	0	114.4	Q997 R998 R999 K1005	Q997-S1001 WeakPolarHBondContact O-CB 3.36Å; Q997-S1001 PolarHBondContact O-N 2.74Å; Q997-S1001 PolarHBondContact O-OG 3.44Å; R998-S1001 PolarHBondContact O-N 2.63Å; R999-S1001 VanDerWaalsContact C-N 3.34Å; R999-S1001 PolarHBondContact O-N 2.56Å; S1001-K1005 WeakPolarHBondContact O-CB 3.35Å; S1001-K1005 WeakPolarHBondContact O-CD 3.32Å; S1001-K1005 WeakPolarHBondContact O-CE 3.41Å; S1001-K1005 WeakPolarHBondContact O-CG 3.4Å
1002	T	82.3	Confident	75	Confident	90 Å²	90	96.5 Å²	96.5	55%	0.552	46%	0.462	S	S	*	.	H	α-helix	trans	-88.1	-44.5	-179.1	-58.5	0	0	0	0	110.9	R998 R999 R1000 Q1004 K1005 S1006	R998-T1002 WeakPolarHBondContact O-CB 3.3Å; R998-T1002 PolarHBondContact O-N 3.45Å; R998-T1002 PolarHBondContact O-OG1 3.3Å; R999-T1002 WeakPolarHBondContact O-CA 3.34Å; R999-T1002 WeakPolarHBondContact O-CB 3.39Å; R999-T1002 PolarHBondContact O-N 2.82Å; R1000-T1002 PolarHBondContact O-N 2.68Å; T1002-Q1004 VanDerWaalsContact C-N 3.34Å; T1002-Q1004 PolarHBondContact O-N 3.3Å; T1002-K1005 CarbonylContact O-C 3.56Å; T1002-K1005 WeakPolarHBondContact O-CA 3.35Å; T1002-K1005 WeakPolarHBondContact O-CB 3.41Å; T1002-K1005 PolarHBondContact O-N 3.03Å; T1002-S1006 PolarHBondContact O-N 2.68Å; T1002-S1006 PolarHBondContact O-OG 2.73Å
1003	L	78.1	Confident	73.4	Confident	46 Å²	46	104.2 Å²	104.2	24%	0.241	50%	0.495	C	S	.	.	H	α-helix	trans	-58.8	-44.5	172.6	-64.8	171.5	0	0	0	111.3	R999 K1005 S1006 H1007 L1023 L1027 L1030	R999-L1003 PolarHBondContact O-N 2.86Å; L1003-K1005 PolarHBondContact O-N 2.92Å; L1003-K1005 VanDerWaalsContact O-N 3.08Å; L1003-S1006 PolarHBondContact O-N 2.81Å; L1003-S1006 PolarHBondContact O-OG 2.7Å; L1003-H1007 PolarHBondContact O-CD2 2.92Å; L1003-H1007 PolarHBondContact O-N 2.92Å; L1003-L1023 HydrophobicContact CB-CD1 4.28Å; L1003-L1027 HydrophobicContact CD1-CD2 4.34Å; L1003-L1030 HydrophobicContact CD1-CD2 3.95Å
1004	Q	76.6	Confident	71.6	Confident	74 Å²	74	105.8 Å²	105.8	35%	0.346	52%	0.515	S	S	.	.	H	α-helix	trans	-65.8	-10	173.4	-68.3	179.9	-7.6	0	0	114.2	R1000 T1002 K1008 L1027	R1000-Q1004 WeakPolarHBondContact O-CB 3.44Å; R1000-Q1004 WeakPolarHBondContact O-CG 3.26Å; R1000-Q1004 PolarHBondContact O-N 2.98Å; R1000-Q1004 VanDerWaalsContact O-N 3.15Å; T1002-Q1004 VanDerWaalsContact C-N 3.34Å; T1002-Q1004 PolarHBondContact O-N 3.3Å; Q1004-K1008 VanDerWaalsContact O-CD 3.32Å; Q1004-K1008 WeakPolarHBondContact O-CD 3.44Å; Q1004-K1008 WeakPolarHBondContact O-CG 3.37Å; Q1004-L1027 HydrophobicContact CG-CD1 4.26Å
1005	K	76.6	Confident	70.1	Confident	129 Å²	129	115.9 Å²	115.9	56%	0.561	55%	0.547	S	S	*	.	H	α-helix	trans	-105.3	-25.9	176.6	-76.7	173.5	-167.1	171	0	113.7	S1001 T1002 L1003 R1009	S1001-K1005 WeakPolarHBondContact O-CB 3.35Å; S1001-K1005 WeakPolarHBondContact O-CD 3.32Å; S1001-K1005 WeakPolarHBondContact O-CE 3.41Å; S1001-K1005 WeakPolarHBondContact O-CG 3.4Å; T1002-K1005 CarbonylContact O-C 3.56Å; T1002-K1005 WeakPolarHBondContact O-CA 3.35Å; T1002-K1005 WeakPolarHBondContact O-CB 3.41Å; T1002-K1005 PolarHBondContact O-N 3.03Å; L1003-K1005 PolarHBondContact O-N 2.92Å; L1003-K1005 VanDerWaalsContact O-N 3.08Å; K1005-R1009 WeakPolarHBondContact O-CG 3.35Å; K1005-R1009 PolarHBondContact O-N 3.44Å
1006	S	67.8	Low	68.6	Low	43 Å²	43	113.6 Å²	113.6	30%	0.301	54%	0.543	S	S	.	.	H	α-helix	trans	-67.5	-54.5	171.4	44.6	0	0	0	0	110.4	T1002 L1003 K1008 R1009 D1010	T1002-S1006 PolarHBondContact O-N 2.68Å; T1002-S1006 PolarHBondContact O-OG 2.73Å; L1003-S1006 PolarHBondContact O-N 2.81Å; L1003-S1006 PolarHBondContact O-OG 2.7Å; S1006-K1008 PolarHBondContact O-N 2.92Å; S1006-R1009 WeakPolarHBondContact O-CA 3.49Å; S1006-R1009 WeakPolarHBondContact O-CB 3.49Å; S1006-R1009 PolarHBondContact O-N 3.37Å; S1006-D1010 PolarHBondContact O-N 3.04Å; S1006-D1010 VanDerWaalsContact O-N 3.15Å; S1006-D1010 VanDerWaalsContact O-OD2 3.1Å
1007	H	66.1	Low	67	Low	60 Å²	60	120.5 Å²	120.5	28%	0.278	58%	0.576	S	S	.	*	H	α-helix	trans	-58.2	-29.3	179.2	-73	-114.8	0	0	0	113	L1003 R1009 G1011 L1023	L1003-H1007 PolarHBondContact O-CD2 2.92Å; L1003-H1007 PolarHBondContact O-N 2.92Å; H1007-R1009 VanDerWaalsContact C-N 3.33Å; H1007-R1009 PolarHBondContact O-N 3.49Å; H1007-G1011 PolarHBondContact O-N 3.44Å; H1007-L1023 HydrophobicContact CB-CD2 4.09Å
1008	K	62.7	Low	65.6	Low	175 Å²	175	120.5 Å²	120.5	76%	0.761	58%	0.58	S	S	*	*	H	α-helix	trans	-74	-14.4	173.3	-75.3	-176.2	-178.3	174.9	0	114.9	Q1004 S1006	Q1004-K1008 VanDerWaalsContact O-CD 3.32Å; Q1004-K1008 WeakPolarHBondContact O-CD 3.44Å; Q1004-K1008 WeakPolarHBondContact O-CG 3.37Å; S1006-K1008 PolarHBondContact O-N 2.92Å
1009	R	59.1	Low	64	Low	201 Å²	201	115.2 Å²	115.2	76%	0.758	57%	0.569	S	S	*	*	H	α-helix	trans	-90	-43.1	171.3	-67.9	173.7	-175	-170.6	1.5	111.3	K1005 S1006 H1007 G1011	K1005-R1009 WeakPolarHBondContact O-CG 3.35Å; K1005-R1009 PolarHBondContact O-N 3.44Å; S1006-R1009 WeakPolarHBondContact O-CA 3.49Å; S1006-R1009 WeakPolarHBondContact O-CB 3.49Å; S1006-R1009 PolarHBondContact O-N 3.37Å; H1007-R1009 VanDerWaalsContact C-N 3.33Å; H1007-R1009 PolarHBondContact O-N 3.49Å; R1009-G1011 VanDerWaalsContact C-N 3.34Å; R1009-G1011 PolarHBondContact O-N 3.1Å
1010	D	55.1	Low	62.6	Low	119 Å²	119	115.5 Å²	115.5	64%	0.636	58%	0.578	S	S	*	*	H	α-helix	trans	-72.4	-27	-175.4	-61.1	-51.8	0	0	0	113	S1006 K1012 K1013	S1006-D1010 PolarHBondContact O-N 3.04Å; S1006-D1010 VanDerWaalsContact O-N 3.15Å; S1006-D1010 VanDerWaalsContact O-OD2 3.1Å; D1010-K1012 PolarHBondContact O-N 2.95Å; D1010-K1013 PolarHBondContact O-N 3.46Å
1011	G	55.8	Low	61.5	Low	64 Å²	64	115.5 Å²	115.5	66%	0.66	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	18.1	174.6	0	0	0	0	0	117	H1007 R1009	H1007-G1011 PolarHBondContact O-N 3.44Å; R1009-G1011 VanDerWaalsContact C-N 3.34Å; R1009-G1011 PolarHBondContact O-N 3.1Å
1012	K	54.3	Low	60.8	Low	199 Å²	199	116.7 Å²	116.7	87%	0.865	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	1.5	172.4	-128.1	177.2	-175	179.9	0	114.3	D1010	D1010-K1012 PolarHBondContact O-N 2.95Å
1013	K	52.6	Low	60.4	Low	191 Å²	191	113.6 Å²	113.6	83%	0.83	58%	0.575	S	S	*	*	S	Bend	trans	-136.9	122.6	163.7	-85.4	-171.8	175.5	-179.6	0	111.2	D1010	D1010-K1013 PolarHBondContact O-N 3.46Å
1014	S	45.3	Very low	60.2	Low	113 Å²	113	115.8 Å²	115.8	79%	0.79	59%	0.587	S	S	*	*			trans	64.8	147.3	-174.9	-155.1	0	0	0	0	114.6
1015	R	52.1	Low	60.2	Low	251 Å²	251	118 Å²	118	95%	0.947	60%	0.597	S	S	*	*			trans	-135.4	102.8	-178.9	-173.5	-178.8	-174.7	-173.2	0.9	107.3
1016	S	51.7	Low	60.3	Low	67 Å²	67	115.7 Å²	115.7	47%	0.469	59%	0.589	S	S	.	*			trans	-130.8	142.4	-179	53.7	0	0	0	0	110.5	N1018 S1019	S1016-N1018 VanDerWaalsContact C-N 3.27Å; S1016-N1018 PolarHBondContact O-N 2.92Å; S1016-S1019 PolarHBondContact O-N 3.02Å; S1016-S1019 VanDerWaalsContact O-N 3.16Å; S1016-S1019 PolarHBondContact O-OG 3.05Å
1017	E	53.3	Low	61	Low	179 Å²	179	114.2 Å²	114.2	84%	0.836	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-25.9	-169.6	-63.7	175.2	142.2	0	0	112.6	S1019 L1020	E1017-S1019 PolarHBondContact O-N 3.22Å; E1017-S1019 VanDerWaalsContact O-N 3.09Å; E1017-L1020 PolarHBondContact O-N 2.9Å
1018	N	53.4	Low	61.7	Low	133 Å²	133	115.4 Å²	115.4	71%	0.711	59%	0.591	S	S	*	*	H	α-helix	trans	-60	-15	172.3	-73.9	22	0	0	0	114.7	S1016 L1020 S1021	S1016-N1018 VanDerWaalsContact C-N 3.27Å; S1016-N1018 PolarHBondContact O-N 2.92Å; N1018-L1020 VanDerWaalsContact C-N 3.31Å; N1018-S1021 PolarHBondContact O-OG 3.2Å
1019	S	53.2	Low	62.6	Low	62 Å²	62	112 Å²	112	43%	0.434	58%	0.578	S	S	.	*	H	α-helix	trans	-83.9	-4.2	-179.2	74.3	0	0	0	0	114.4	S1016 E1017	S1016-S1019 PolarHBondContact O-N 3.02Å; S1016-S1019 VanDerWaalsContact O-N 3.16Å; S1016-S1019 PolarHBondContact O-OG 3.05Å; E1017-S1019 PolarHBondContact O-N 3.22Å; E1017-S1019 VanDerWaalsContact O-N 3.09Å
1020	L	53.9	Low	63.8	Low	113 Å²	113	102.8 Å²	102.8	59%	0.592	54%	0.544	S	S	*	.	H	α-helix	trans	-94.7	-45.9	177.6	-107	153.6	0	0	0	111.5	E1017 N1018 T1022 L1023 D1024	E1017-L1020 PolarHBondContact O-N 2.9Å; N1018-L1020 VanDerWaalsContact C-N 3.31Å; L1020-T1022 VanDerWaalsContact C-N 3.3Å; L1020-T1022 PolarHBondContact O-N 2.68Å; L1020-L1023 PolarHBondContact O-N 3.08Å; L1020-L1023 VanDerWaalsContact O-N 3.15Å; L1020-D1024 PolarHBondContact O-N 3.43Å; L1020-D1024 VanDerWaalsContact O-N 3.14Å
1021	S	60.7	Low	65.1	Low	74 Å²	74	100 Å²	100	52%	0.517	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-32.4	-179.2	52.5	0	0	0	0	113.7	N1018 Q1025	N1018-S1021 PolarHBondContact O-OG 3.2Å; S1021-Q1025 WeakPolarHBondContact O-CB 3.41Å; S1021-Q1025 PolarHBondContact O-N 3.32Å
1022	T	66.9	Low	66.5	Low	67 Å²	67	102.9 Å²	102.9	41%	0.411	53%	0.525	S	S	.	.	H	α-helix	trans	-66.7	-39.6	174.4	48.3	0	0	0	0	112.6	L1020 Q1025 E1026	L1020-T1022 VanDerWaalsContact C-N 3.3Å; L1020-T1022 PolarHBondContact O-N 2.68Å; T1022-Q1025 PolarHBondContact O-N 2.97Å; T1022-E1026 WeakPolarHBondContact O-CG 3.24Å; T1022-E1026 PolarHBondContact O-N 3.31Å
1023	L	73.6	Confident	67.9	Low	25 Å²	25	96 Å²	96	13%	0.131	50%	0.497	C	S	.	.	H	α-helix	trans	-67.1	-42.6	177.2	177.9	60.6	0	0	0	111.4	L1003 H1007 L1020 Q1025 E1026 L1027	L1003-L1023 HydrophobicContact CB-CD1 4.28Å; H1007-L1023 HydrophobicContact CB-CD2 4.09Å; L1020-L1023 PolarHBondContact O-N 3.08Å; L1020-L1023 VanDerWaalsContact O-N 3.15Å; L1023-Q1025 VanDerWaalsContact C-N 3.28Å; L1023-Q1025 PolarHBondContact O-N 3.09Å; L1023-E1026 PolarHBondContact O-N 2.91Å; L1023-L1027 HydrophobicContact CD1-CD1 4.16Å; L1023-L1027 HydrophobicContact CD1-CG 4.13Å; L1023-L1027 HydrophobicContact CG-CD1 4.08Å; L1023-L1027 HydrophobicContact CG-CG 4.45Å; L1023-L1027 WeakPolarHBondContact O-CB 3.44Å; L1023-L1027 WeakPolarHBondContact O-CG 3.32Å; L1023-L1027 PolarHBondContact O-N 2.64Å
1024	D	73.4	Confident	69.4	Low	93 Å²	93	87.9 Å²	87.9	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-65.9	-32.9	177.7	-69.6	-31	0	0	0	111.7	L1020 C1028	L1020-D1024 PolarHBondContact O-N 3.43Å; L1020-D1024 VanDerWaalsContact O-N 3.14Å; D1024-C1028 PolarHBondContact O-N 2.83Å
1025	Q	77.6	Confident	71.2	Confident	119 Å²	119	84.6 Å²	84.6	56%	0.556	45%	0.447	S	S	*	.	H	α-helix	trans	-68.6	-49.5	172.7	-175.7	171.1	-18.1	0	0	112.4	S1021 T1022 L1023 L1027 C1028 E1029	S1021-Q1025 WeakPolarHBondContact O-CB 3.41Å; S1021-Q1025 PolarHBondContact O-N 3.32Å; T1022-Q1025 PolarHBondContact O-N 2.97Å; L1023-Q1025 VanDerWaalsContact C-N 3.28Å; L1023-Q1025 PolarHBondContact O-N 3.09Å; Q1025-L1027 PolarHBondContact O-N 2.94Å; Q1025-C1028 PolarHBondContact O-N 3.39Å; Q1025-C1028 VanDerWaalsContact O-N 3.14Å; Q1025-E1029 WeakPolarHBondContact CG-OE1 3.4Å; Q1025-E1029 PolarHBondContact NE2-OE1 3.17Å; Q1025-E1029 WeakPolarHBondContact O-CG 3.48Å; Q1025-E1029 PolarHBondContact O-N 2.63Å
1026	E	78.5	Confident	72.8	Confident	82 Å²	82	77.9 Å²	77.9	38%	0.383	43%	0.427	S	S	.	.	H	α-helix	trans	-58.4	-34	175.7	-75.3	-178.9	-161	0	0	112.4	T1022 L1023 L1030	T1022-E1026 WeakPolarHBondContact O-CG 3.24Å; T1022-E1026 PolarHBondContact O-N 3.31Å; L1023-E1026 PolarHBondContact O-N 2.91Å; E1026-L1030 WeakPolarHBondContact O-CB 3.35Å; E1026-L1030 PolarHBondContact O-N 3.12Å
1027	L	80.8	Confident	74.3	Confident	11 Å²	11	78.6 Å²	78.6	6%	0.058	42%	0.421	C	S	.	.	H	α-helix	trans	-71.7	-39.6	175.9	-73.1	178.4	0	0	0	112.8	R1000 L1003 Q1004 L1023 Q1025 L1030 D1031	R1000-L1027 HydrophobicContact CG-CD2 3.9Å; L1003-L1027 HydrophobicContact CD1-CD2 4.34Å; Q1004-L1027 HydrophobicContact CG-CD1 4.26Å; L1023-L1027 HydrophobicContact CD1-CD1 4.16Å; L1023-L1027 HydrophobicContact CD1-CG 4.13Å; L1023-L1027 HydrophobicContact CG-CD1 4.08Å; L1023-L1027 HydrophobicContact CG-CG 4.45Å; L1023-L1027 WeakPolarHBondContact O-CB 3.44Å; L1023-L1027 WeakPolarHBondContact O-CG 3.32Å; L1023-L1027 PolarHBondContact O-N 2.64Å; Q1025-L1027 PolarHBondContact O-N 2.94Å; L1027-L1030 PolarHBondContact O-N 3.35Å; L1027-D1031 WeakPolarHBondContact O-CB 3.32Å; L1027-D1031 VanDerWaalsContact O-CG 3.28Å; L1027-D1031 PolarHBondContact O-N 3.47Å
1028	C	81.2	Confident	75.8	Confident	85 Å²	85	72.1 Å²	72.1	57%	0.574	39%	0.392	S	S	*	.	H	α-helix	trans	-64.5	-43.2	172.8	-82.2	0	0	0	0	112.1	D1024 Q1025 L1030 D1031 Q1032	D1024-C1028 PolarHBondContact O-N 2.83Å; Q1025-C1028 PolarHBondContact O-N 3.39Å; Q1025-C1028 VanDerWaalsContact O-N 3.14Å; C1028-L1030 VanDerWaalsContact C-N 3.32Å; C1028-L1030 PolarHBondContact O-N 2.99Å; C1028-D1031 PolarHBondContact O-N 3.33Å; C1028-Q1032 WeakPolarHBondContact O-CB 3.48Å; C1028-Q1032 PolarHBondContact O-N 3.29Å
1029	E	82.5	Confident	77.2	Confident	104 Å²	104	68.5 Å²	68.5	49%	0.486	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-39.3	176.5	-71	175.3	-161.4	0	0	111.2	Q1025 Q1032 E1033	Q1025-E1029 WeakPolarHBondContact CG-OE1 3.4Å; Q1025-E1029 PolarHBondContact NE2-OE1 3.17Å; Q1025-E1029 WeakPolarHBondContact O-CG 3.48Å; Q1025-E1029 PolarHBondContact O-N 2.63Å; E1029-Q1032 PolarHBondContact O-N 3.03Å; E1029-E1033 WeakPolarHBondContact O-CB 3.3Å; E1029-E1033 PolarHBondContact O-N 3Å
1030	L	83.7	Confident	78.7	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.037	38%	0.383	C	S	.	.	H	α-helix	trans	-67.9	-42.5	174.8	-178.2	67.3	0	0	0	113.3	R999 R1000 L1003 E1026 L1027 C1028 Q1032 E1033 C1034	R999-L1030 HydrophobicContact CB-CD1 4.22Å; R999-L1030 HydrophobicContact CB-CD2 3.89Å; R1000-L1030 HydrophobicContact CB-CD2 4.12Å; L1003-L1030 HydrophobicContact CD1-CD2 3.95Å; E1026-L1030 WeakPolarHBondContact O-CB 3.35Å; E1026-L1030 PolarHBondContact O-N 3.12Å; L1027-L1030 PolarHBondContact O-N 3.35Å; C1028-L1030 VanDerWaalsContact C-N 3.32Å; C1028-L1030 PolarHBondContact O-N 2.99Å; L1030-Q1032 VanDerWaalsContact C-N 3.28Å; L1030-Q1032 PolarHBondContact O-N 3.28Å; L1030-E1033 PolarHBondContact O-N 3.45Å; L1030-C1034 WeakPolarHBondContact O-CB 3.32Å; L1030-C1034 PolarHBondContact O-N 2.89Å
1031	D	83.1	Confident	80.2	Confident	62 Å²	62	66.4 Å²	66.4	33%	0.332	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-37	175.6	-73	-31.1	0	0	0	110.5	H996 R1000 L1027 C1028 C1034 G1035	H996-D1031 IonicContact CE1-OD1 3.2Å; H996-D1031 PolarHBondContact CE1-OD1 3Å; H996-D1031 IonicContact NE2-OD1 2.78Å; H996-D1031 PolarHBondContact NE2-OD1 3.04Å; R1000-D1031 IonicContact CZ-OD1 3.53Å; R1000-D1031 IonicContact CZ-OD2 3.36Å; R1000-D1031 IonicContact NH1-OD1 2.74Å; R1000-D1031 PolarHBondContact NH1-OD1 3.38Å; R1000-D1031 IonicContact NH1-OD2 2.68Å; R1000-D1031 PolarHBondContact NH1-OD2 2.89Å; R1000-D1031 IonicContact NH2-OD2 3.34Å; R1000-D1031 PolarHBondContact NH2-OD2 3.27Å; L1027-D1031 WeakPolarHBondContact O-CB 3.32Å; L1027-D1031 VanDerWaalsContact O-CG 3.28Å; L1027-D1031 PolarHBondContact O-N 3.47Å; C1028-D1031 PolarHBondContact O-N 3.33Å; D1031-C1034 PolarHBondContact O-N 2.83Å; D1031-G1035 PolarHBondContact O-N 2.92Å
1032	Q	84.8	Confident	81.3	Confident	123 Å²	123	66.3 Å²	66.3	58%	0.575	35%	0.352	S	S	*	.	H	α-helix	trans	-69.8	-42.7	175.5	-168.5	173.9	22.4	0	0	112.5	C1028 E1029 L1030 C1034 G1035 Q1036	C1028-Q1032 WeakPolarHBondContact O-CB 3.48Å; C1028-Q1032 PolarHBondContact O-N 3.29Å; E1029-Q1032 PolarHBondContact O-N 3.03Å; L1030-Q1032 VanDerWaalsContact C-N 3.28Å; L1030-Q1032 PolarHBondContact O-N 3.28Å; Q1032-C1034 VanDerWaalsContact C-N 3.26Å; Q1032-C1034 PolarHBondContact O-N 3.41Å; Q1032-G1035 PolarHBondContact O-N 2.92Å; Q1032-Q1036 WeakPolarHBondContact O-CG 3.37Å; Q1032-Q1036 PolarHBondContact O-N 3.18Å
1033	E	83.9	Confident	82.2	Confident	56 Å²	56	68.6 Å²	68.6	26%	0.262	36%	0.358	S	S	.	.	H	α-helix	trans	-56.2	-42.4	172.8	-166.7	-153.2	138.6	0	0	111	R999 E1029 L1030 K1037	R999-E1033 IonicContact CZ-OE1 3.07Å; R999-E1033 IonicContact CZ-OE2 3.23Å; R999-E1033 VanDerWaalsContact CZ-OE2 3.23Å; R999-E1033 IonicContact NH1-OE1 3.18Å; R999-E1033 PolarHBondContact NH1-OE1 3.08Å; R999-E1033 IonicContact NH1-OE2 3.88Å; R999-E1033 PolarHBondContact NH1-OE2 3.17Å; R999-E1033 IonicContact NH2-OE2 2.76Å; R999-E1033 PolarHBondContact NH2-OE2 3.19Å; E1029-E1033 WeakPolarHBondContact O-CB 3.3Å; E1029-E1033 PolarHBondContact O-N 3Å; L1030-E1033 PolarHBondContact O-N 3.45Å; E1033-K1037 HydrophobicContact CG-CD 4.42Å; E1033-K1037 WeakPolarHBondContact O-CG 3.42Å; E1033-K1037 PolarHBondContact O-N 2.95Å; E1033-K1037 IonicContact OE1-NZ 3.73Å; E1033-K1037 PolarHBondContact OE1-NZ 2.6Å
1034	C	84.6	Confident	82.8	Confident	20 Å²	20	71.2 Å²	71.2	14%	0.135	37%	0.369	C	S	.	.	H	α-helix	trans	-68.4	-42.5	177.2	-169.1	0	0	0	0	112.2	H996 L1030 D1031 Q1032 K1037 L1038	H996-C1034 HydrophobicContact CB-CB 4.45Å; L1030-C1034 WeakPolarHBondContact O-CB 3.32Å; L1030-C1034 PolarHBondContact O-N 2.89Å; D1031-C1034 PolarHBondContact O-N 2.83Å; Q1032-C1034 VanDerWaalsContact C-N 3.26Å; Q1032-C1034 PolarHBondContact O-N 3.41Å; C1034-K1037 PolarHBondContact O-N 3.4Å; C1034-L1038 WeakPolarHBondContact O-CB 3.38Å; C1034-L1038 PolarHBondContact O-N 3.37Å
1035	G	81.6	Confident	83.4	Confident	43 Å²	43	67.8 Å²	67.8	44%	0.443	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-43.7	177.6	0	0	0	0	0	113.2	D1031 Q1032 L1038 A1039	D1031-G1035 PolarHBondContact O-N 2.92Å; Q1032-G1035 PolarHBondContact O-N 2.92Å; G1035-L1038 PolarHBondContact O-N 2.99Å; G1035-A1039 PolarHBondContact O-N 3.04Å; G1035-A1039 VanDerWaalsContact O-N 3.08Å
1036	Q	85.7	Confident	83.8	Confident	111 Å²	111	64.9 Å²	64.9	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-51.6	176	-73.1	174.1	-12.4	0	0	111.4	Q1032 L1038 A1039 E1040	Q1032-Q1036 WeakPolarHBondContact O-CG 3.37Å; Q1032-Q1036 PolarHBondContact O-N 3.18Å; Q1036-L1038 VanDerWaalsContact C-N 3.25Å; Q1036-L1038 PolarHBondContact O-N 2.74Å; Q1036-A1039 WeakPolarHBondContact O-CA 3.07Å; Q1036-A1039 WeakPolarHBondContact O-CB 3.27Å; Q1036-A1039 PolarHBondContact O-N 3.26Å; Q1036-E1040 WeakPolarHBondContact O-CG 3.48Å; Q1036-E1040 PolarHBondContact O-N 2.84Å
1037	K	84.3	Confident	84.3	Confident	82 Å²	82	66.2 Å²	66.2	36%	0.357	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-31.8	179.1	-71.6	174.4	178.8	179.4	0	113.2	L992 E1033 C1034 L1041	L992-K1037 HydrophobicContact CD1-CB 4.14Å; L992-K1037 HydrophobicContact CD1-CD 4.46Å; L992-K1037 HydrophobicContact CD2-CB 4.25Å; E1033-K1037 HydrophobicContact CG-CD 4.42Å; E1033-K1037 WeakPolarHBondContact O-CG 3.42Å; E1033-K1037 PolarHBondContact O-N 2.95Å; E1033-K1037 IonicContact OE1-NZ 3.73Å; E1033-K1037 PolarHBondContact OE1-NZ 2.6Å; C1034-K1037 PolarHBondContact O-N 3.4Å; K1037-L1041 WeakPolarHBondContact O-CB 3.41Å; K1037-L1041 VanDerWaalsContact O-CG 3.31Å; K1037-L1041 WeakPolarHBondContact O-CG 3.44Å; K1037-L1041 PolarHBondContact O-N 2.82Å
1038	L	84.6	Confident	84.7	Confident	42 Å²	42	69.1 Å²	69.1	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-76	-25.6	175	-168.4	136.5	0	0	0	112.9	V989 L992 C1034 G1035 Q1036 K1042	V989-L1038 HydrophobicContact CG1-CD1 4.13Å; L992-L1038 HydrophobicContact CD2-CB 4.17Å; C1034-L1038 WeakPolarHBondContact O-CB 3.38Å; C1034-L1038 PolarHBondContact O-N 3.37Å; G1035-L1038 PolarHBondContact O-N 2.99Å; Q1036-L1038 VanDerWaalsContact C-N 3.25Å; Q1036-L1038 PolarHBondContact O-N 2.74Å; L1038-K1042 WeakPolarHBondContact O-CG 3.21Å; L1038-K1042 PolarHBondContact O-N 3.37Å
1039	A	82.9	Confident	85	Confident	58 Å²	58	65.3 Å²	65.3	48%	0.479	33%	0.331	S	S	.	.	H	α-helix	trans	-73	-46.9	169.1	0	0	0	0	0	111.4	G1035 Q1036 L1041 K1042 E1043	G1035-A1039 PolarHBondContact O-N 3.04Å; G1035-A1039 VanDerWaalsContact O-N 3.08Å; Q1036-A1039 WeakPolarHBondContact O-CA 3.07Å; Q1036-A1039 WeakPolarHBondContact O-CB 3.27Å; Q1036-A1039 PolarHBondContact O-N 3.26Å; A1039-L1041 VanDerWaalsContact C-N 3.34Å; A1039-L1041 PolarHBondContact O-N 2.82Å; A1039-K1042 WeakPolarHBondContact O-CB 3.44Å; A1039-K1042 PolarHBondContact O-N 3.26Å; A1039-K1042 VanDerWaalsContact O-N 3.11Å; A1039-E1043 PolarHBondContact O-N 3.01Å
1040	E	85.4	Confident	85.4	Confident	104 Å²	104	62.3 Å²	62.3	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-55.6	-45.7	175	-69.2	170.3	-177.1	0	0	111.8	Q1036 K1042 E1043 Q1044	Q1036-E1040 WeakPolarHBondContact O-CG 3.48Å; Q1036-E1040 PolarHBondContact O-N 2.84Å; E1040-K1042 VanDerWaalsContact C-N 3.34Å; E1040-K1042 PolarHBondContact O-N 3.38Å; E1040-E1043 PolarHBondContact O-N 3.14Å; E1040-Q1044 WeakPolarHBondContact O-CB 3.37Å; E1040-Q1044 VanDerWaalsContact O-CG 3.3Å; E1040-Q1044 WeakPolarHBondContact O-CG 3.4Å; E1040-Q1044 PolarHBondContact O-N 3.26Å
1041	L	84.9	Confident	85.7	Confident	27 Å²	27	68.2 Å²	68.2	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-35.5	176.9	-77.6	171	0	0	0	113	L992 K1037 A1039 Q1045	L992-L1041 HydrophobicContact CD2-CD1 4.21Å; K1037-L1041 WeakPolarHBondContact O-CB 3.41Å; K1037-L1041 VanDerWaalsContact O-CG 3.31Å; K1037-L1041 WeakPolarHBondContact O-CG 3.44Å; K1037-L1041 PolarHBondContact O-N 2.82Å; A1039-L1041 VanDerWaalsContact C-N 3.34Å; A1039-L1041 PolarHBondContact O-N 2.82Å; L1041-Q1045 VanDerWaalsContact O-CB 3.27Å; L1041-Q1045 WeakPolarHBondContact O-CB 3.36Å; L1041-Q1045 PolarHBondContact O-N 3.28Å
1042	K	83.6	Confident	86.1	Confident	72 Å²	72	66.6 Å²	66.6	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-67	-42.3	174.2	-77.3	-179.9	-176.2	-171.6	0	111.8	L1038 A1039 E1040 Q1045 Q1046 V1198 S1202	L1038-K1042 WeakPolarHBondContact O-CG 3.21Å; L1038-K1042 PolarHBondContact O-N 3.37Å; A1039-K1042 WeakPolarHBondContact O-CB 3.44Å; A1039-K1042 PolarHBondContact O-N 3.26Å; A1039-K1042 VanDerWaalsContact O-N 3.11Å; E1040-K1042 VanDerWaalsContact C-N 3.34Å; E1040-K1042 PolarHBondContact O-N 3.38Å; K1042-Q1045 WeakPolarHBondContact O-CB 3.48Å; K1042-Q1045 PolarHBondContact O-N 2.91Å; K1042-Q1046 PolarHBondContact O-N 3.42Å; K1042-V1198 HydrophobicContact CB-CG1 4.42Å; K1042-S1202 PolarHBondContact NZ-OG 3.29Å; K1042-S1202 VanDerWaalsContact NZ-OG 3.08Å
1043	E	85.7	Confident	86.3	Confident	114 Å²	114	64.3 Å²	64.3	53%	0.533	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-45.8	177.5	-163.4	-172.4	155	0	0	110.9	A1039 E1040 Q1045 Q1046 Q1047	A1039-E1043 PolarHBondContact O-N 3.01Å; E1040-E1043 PolarHBondContact O-N 3.14Å; E1043-Q1045 VanDerWaalsContact C-N 3.31Å; E1043-Q1045 PolarHBondContact O-N 3.22Å; E1043-Q1046 PolarHBondContact O-N 3.49Å; E1043-Q1046 VanDerWaalsContact O-N 3.14Å; E1043-Q1047 WeakPolarHBondContact O-CG 3.37Å; E1043-Q1047 PolarHBondContact O-N 3.21Å; E1043-Q1047 PolarHBondContact OE1-NE2 3.44Å
1044	Q	85.9	Confident	86.7	Confident	80 Å²	80	64.8 Å²	64.8	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-58.5	-41.3	173.4	-70.4	174.5	25.8	0	0	112	E1040 Q1048	E1040-Q1044 WeakPolarHBondContact O-CB 3.37Å; E1040-Q1044 VanDerWaalsContact O-CG 3.3Å; E1040-Q1044 WeakPolarHBondContact O-CG 3.4Å; E1040-Q1044 PolarHBondContact O-N 3.26Å; Q1044-Q1048 VanDerWaalsContact O-CB 3.27Å; Q1044-Q1048 WeakPolarHBondContact O-CB 3.37Å; Q1044-Q1048 WeakPolarHBondContact O-CG 3.4Å; Q1044-Q1048 PolarHBondContact O-N 3.06Å
1045	Q	85.8	Confident	86.9	Confident	22 Å²	22	67.1 Å²	67.1	10%	0.103	33%	0.331	C	S	.	.	H	α-helix	trans	-61.7	-44.6	174.7	-177.6	-177.5	9.7	0	0	111.6	Q985 L1041 K1042 E1043 L1049 V1198	Q985-Q1045 HydrophobicContact CB-CG 4.31Å; Q985-Q1045 HydrophobicContact CG-CB 4.45Å; Q985-Q1045 HydrophobicContact CG-CG 4.28Å; L1041-Q1045 VanDerWaalsContact O-CB 3.27Å; L1041-Q1045 WeakPolarHBondContact O-CB 3.36Å; L1041-Q1045 PolarHBondContact O-N 3.28Å; K1042-Q1045 WeakPolarHBondContact O-CB 3.48Å; K1042-Q1045 PolarHBondContact O-N 2.91Å; E1043-Q1045 VanDerWaalsContact C-N 3.31Å; E1043-Q1045 PolarHBondContact O-N 3.22Å; Q1045-L1049 WeakPolarHBondContact O-CB 3.27Å; Q1045-L1049 PolarHBondContact O-N 2.95Å; Q1045-V1198 HydrophobicContact CG-CG2 4.42Å
1046	Q	87.3	Confident	87.3	Confident	58 Å²	58	65.5 Å²	65.5	27%	0.271	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-47.9	178.1	-168	-176	-19.8	0	0	111.4	K1042 E1043 L1050 I1194 V1198	K1042-Q1046 PolarHBondContact O-N 3.42Å; E1043-Q1046 PolarHBondContact O-N 3.49Å; E1043-Q1046 VanDerWaalsContact O-N 3.14Å; Q1046-L1050 VanDerWaalsContact O-CB 3.28Å; Q1046-L1050 WeakPolarHBondContact O-CB 3.37Å; Q1046-L1050 PolarHBondContact O-N 2.91Å; Q1046-I1194 HydrophobicContact CG-CG2 4.04Å; Q1046-V1198 HydrophobicContact CB-CG2 4.23Å; Q1046-V1198 HydrophobicContact CG-CG2 4.49Å
1047	Q	87.9	Confident	87.7	Confident	110 Å²	110	61.6 Å²	61.6	51%	0.514	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-44.7	178.4	-67.6	179.3	13.6	0	0	112.2	E1043 L1050 K1051	E1043-Q1047 WeakPolarHBondContact O-CG 3.37Å; E1043-Q1047 PolarHBondContact O-N 3.21Å; E1043-Q1047 PolarHBondContact OE1-NE2 3.44Å; Q1047-L1050 PolarHBondContact O-N 2.84Å; Q1047-K1051 PolarHBondContact O-N 2.83Å
1048	Q	89	Confident	88	Confident	72 Å²	72	64.5 Å²	64.5	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-67.8	-42	179.6	-71.8	170.7	7.7	0	0	112.1	L981 Q1044 K1051 L1052	L981-Q1048 HydrophobicContact CD2-CB 3.93Å; Q1044-Q1048 VanDerWaalsContact O-CB 3.27Å; Q1044-Q1048 WeakPolarHBondContact O-CB 3.37Å; Q1044-Q1048 WeakPolarHBondContact O-CG 3.4Å; Q1044-Q1048 PolarHBondContact O-N 3.06Å; Q1048-K1051 PolarHBondContact O-N 3.15Å; Q1048-L1052 PolarHBondContact O-N 2.85Å
1049	L	88.7	Confident	88.4	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-38.9	176.8	-177.2	55.2	0	0	0	111.5	T978 Q1045 L1052 R1053 I1194 F1197 V1198	T978-L1049 HydrophobicContact CG2-CD1 3.65Å; Q1045-L1049 WeakPolarHBondContact O-CB 3.27Å; Q1045-L1049 PolarHBondContact O-N 2.95Å; L1049-L1052 PolarHBondContact O-N 3.04Å; L1049-R1053 HydrophobicContact CD1-CG 4.23Å; L1049-R1053 WeakPolarHBondContact O-CB 3.38Å; L1049-R1053 WeakPolarHBondContact O-CG 3.39Å; L1049-R1053 PolarHBondContact O-N 2.88Å; L1049-I1194 HydrophobicContact CB-CG2 4.14Å; L1049-I1194 HydrophobicContact CD2-CG2 4.07Å; L1049-I1194 HydrophobicContact CG-CD1 4.29Å; L1049-I1194 HydrophobicContact CG-CG1 4.41Å; L1049-I1194 HydrophobicContact CG-CG2 4.02Å; L1049-F1197 HydrophobicContact CD2-CD1 3.56Å; L1049-F1197 HydrophobicContact CD2-CE1 3.77Å; L1049-V1198 HydrophobicContact CD2-CG2 4.45Å
1050	L	90.1	Very high	88.8	Confident	40 Å²	40	62.4 Å²	62.4	21%	0.209	29%	0.287	C	S	.	.	H	α-helix	trans	-59.7	-49.7	173.3	179.8	58.8	0	0	0	111.5	Q1046 Q1047 L1052 R1053 Q1054 L1190 P1191 I1194	Q1046-L1050 VanDerWaalsContact O-CB 3.28Å; Q1046-L1050 WeakPolarHBondContact O-CB 3.37Å; Q1046-L1050 PolarHBondContact O-N 2.91Å; Q1047-L1050 PolarHBondContact O-N 2.84Å; L1050-L1052 PolarHBondContact O-N 2.76Å; L1050-R1053 PolarHBondContact O-N 3.03Å; L1050-Q1054 HydrophobicContact CD1-CG 4.19Å; L1050-Q1054 WeakPolarHBondContact O-CB 3.45Å; L1050-Q1054 VanDerWaalsContact O-CG 3.3Å; L1050-Q1054 WeakPolarHBondContact O-CG 3.44Å; L1050-Q1054 PolarHBondContact O-N 3.5Å; L1050-L1190 HydrophobicContact CD1-CD2 4.15Å; L1050-L1190 HydrophobicContact CD1-CG 4.05Å; L1050-P1191 HydrophobicContact CD1-CB 4.47Å; L1050-P1191 HydrophobicContact CD1-CG 4.27Å; L1050-I1194 HydrophobicContact CB-CD1 4.18Å; L1050-I1194 HydrophobicContact CB-CG2 4.48Å; L1050-I1194 HydrophobicContact CD1-CD1 4.01Å
1051	K	90.5	Very high	89.2	Confident	131 Å²	131	59.4 Å²	59.4	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-58.2	-47.5	176.7	-172	-177.9	179	-172.8	0	111.9	Q1047 Q1048 R1053 Q1054 E1055	Q1047-K1051 PolarHBondContact O-N 2.83Å; Q1048-K1051 PolarHBondContact O-N 3.15Å; K1051-R1053 VanDerWaalsContact C-N 3.31Å; K1051-R1053 PolarHBondContact O-N 2.83Å; K1051-Q1054 PolarHBondContact O-N 3.45Å; K1051-E1055 VanDerWaalsContact CE-OE1 3.22Å; K1051-E1055 WeakPolarHBondContact CE-OE1 3.37Å; K1051-E1055 WeakPolarHBondContact O-CG 3.46Å; K1051-E1055 PolarHBondContact O-N 2.65Å
1052	L	90.3	Very high	89.6	Confident	28 Å²	28	65.5 Å²	65.5	15%	0.147	29%	0.294	C	S	.	.	H	α-helix	trans	-65.8	-32.2	-177.2	-121.8	162.9	0	0	0	113.3	K977 L981 Q1048 L1049 L1050 Q1056	K977-L1052 HydrophobicContact CB-CD2 3.8Å; K977-L1052 HydrophobicContact CD-CD2 3.9Å; L981-L1052 HydrophobicContact CB-CD1 4.3Å; L981-L1052 HydrophobicContact CD2-CD1 3.83Å; Q1048-L1052 PolarHBondContact O-N 2.85Å; L1049-L1052 PolarHBondContact O-N 3.04Å; L1050-L1052 PolarHBondContact O-N 2.76Å; L1052-Q1056 PolarHBondContact O-N 3.49Å; L1052-Q1056 VanDerWaalsContact O-N 3.1Å
1053	R	89.8	Confident	90	Very high	76 Å²	76	64 Å²	64	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-78.8	-33.8	173.5	-70.3	-67.3	-136.1	155.9	13.8	112.9	L1049 L1050 K1051 Q1056 Y1057 L1190 I1194	L1049-R1053 HydrophobicContact CD1-CG 4.23Å; L1049-R1053 WeakPolarHBondContact O-CB 3.38Å; L1049-R1053 WeakPolarHBondContact O-CG 3.39Å; L1049-R1053 PolarHBondContact O-N 2.88Å; L1050-R1053 PolarHBondContact O-N 3.03Å; K1051-R1053 VanDerWaalsContact C-N 3.31Å; K1051-R1053 PolarHBondContact O-N 2.83Å; R1053-Q1056 WeakPolarHBondContact O-CB 3.4Å; R1053-Q1056 PolarHBondContact O-N 2.68Å; R1053-Y1057 PolarHBondContact O-N 2.83Å; R1053-L1190 HydrophobicContact CB-CD1 3.82Å; R1053-L1190 HydrophobicContact CB-CD2 3.71Å; R1053-L1190 HydrophobicContact CB-CG 4.22Å; R1053-L1190 HydrophobicContact CG-CD1 4.38Å; R1053-I1194 HydrophobicContact CB-CD1 3.9Å; R1053-I1194 HydrophobicContact CG-CD1 3.87Å
1054	Q	91.3	Very high	90.3	Very high	65 Å²	65	61.5 Å²	61.5	30%	0.304	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-46	169.5	-73.8	172.4	-14	0	0	110.7	L1050 K1051 Q1056 Y1057 Y1058 F1187 L1190	L1050-Q1054 HydrophobicContact CD1-CG 4.19Å; L1050-Q1054 WeakPolarHBondContact O-CB 3.45Å; L1050-Q1054 VanDerWaalsContact O-CG 3.3Å; L1050-Q1054 WeakPolarHBondContact O-CG 3.44Å; L1050-Q1054 PolarHBondContact O-N 3.5Å; K1051-Q1054 PolarHBondContact O-N 3.45Å; Q1054-Q1056 VanDerWaalsContact C-N 3.28Å; Q1054-Q1056 PolarHBondContact O-N 3.06Å; Q1054-Y1057 PolarHBondContact O-N 3.02Å; Q1054-Y1057 VanDerWaalsContact O-N 3.17Å; Q1054-Y1058 HydrophobicContact CB-CD2 4.46Å; Q1054-Y1058 HydrophobicContact CB-CE2 4.35Å; Q1054-Y1058 WeakPolarHBondContact O-CD2 3.3Å; Q1054-Y1058 PolarHBondContact O-N 3.37Å; Q1054-F1187 HydrophobicContact CB-CE1 4.22Å; Q1054-F1187 HydrophobicContact CG-CD1 4.34Å; Q1054-F1187 HydrophobicContact CG-CE1 4.27Å; Q1054-L1190 HydrophobicContact CG-CD2 3.83Å
1055	E	89.1	Confident	90.6	Very high	69 Å²	69	63.5 Å²	63.5	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-56.7	-38.8	172.4	-74.8	175.3	-160.9	0	0	112.3	K1051 S1059	K1051-E1055 VanDerWaalsContact CE-OE1 3.22Å; K1051-E1055 WeakPolarHBondContact CE-OE1 3.37Å; K1051-E1055 WeakPolarHBondContact O-CG 3.46Å; K1051-E1055 PolarHBondContact O-N 2.65Å; E1055-S1059 WeakPolarHBondContact O-CB 3.48Å; E1055-S1059 PolarHBondContact O-N 3.07Å; E1055-S1059 PolarHBondContact O-OG 2.8Å
1056	Q	90.9	Very high	90.9	Very high	10 Å²	10	66.4 Å²	66.4	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-53.5	172.5	178.6	-176.9	-10.4	0	0	111.3	H974 L1052 R1053 Q1054 Y1058 S1059 E1060	H974-Q1056 HydrophobicContact CB-CB 3.91Å; H974-Q1056 HydrophobicContact CB-CG 3.73Å; H974-Q1056 VanDerWaalsContact ND1-CA 3.34Å; H974-Q1056 WeakPolarHBondContact ND1-CA 3.47Å; L1052-Q1056 PolarHBondContact O-N 3.49Å; L1052-Q1056 VanDerWaalsContact O-N 3.1Å; R1053-Q1056 WeakPolarHBondContact O-CB 3.4Å; R1053-Q1056 PolarHBondContact O-N 2.68Å; Q1054-Q1056 VanDerWaalsContact C-N 3.28Å; Q1054-Q1056 PolarHBondContact O-N 3.06Å; Q1056-Y1058 PolarHBondContact O-N 3.41Å; Q1056-S1059 PolarHBondContact O-N 3.26Å; Q1056-E1060 HydrophobicContact CG-CG 4.42Å; Q1056-E1060 VanDerWaalsContact CG-OE1 3.31Å; Q1056-E1060 WeakPolarHBondContact CG-OE1 3.27Å; Q1056-E1060 PolarHBondContact NE2-OE1 3.18Å; Q1056-E1060 WeakPolarHBondContact O-CG 3.14Å; Q1056-E1060 PolarHBondContact O-N 3.03Å
1057	Y	93	Very high	91.3	Very high	28 Å²	28	64.1 Å²	64.1	11%	0.11	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-35.2	-177.6	-72.8	-11.9	0	0	0	113.2	R1053 Q1054 K1061 Y1183 K1186 F1187 L1190	R1053-Y1057 PolarHBondContact O-N 2.83Å; Q1054-Y1057 PolarHBondContact O-N 3.02Å; Q1054-Y1057 VanDerWaalsContact O-N 3.17Å; Y1057-K1061 WeakPolarHBondContact O-CB 3.1Å; Y1057-K1061 PolarHBondContact O-N 2.88Å; Y1057-Y1183 HydrophobicContact CD1-CE1 4.23Å; Y1057-Y1183 HydrophobicContact CG-CD1 4.41Å; Y1057-Y1183 HydrophobicContact CG-CE1 4.36Å; Y1057-Y1183 WeakPolarHBondContact O-CD1 3.15Å; Y1057-Y1183 WeakPolarHBondContact O-CE1 3.13Å; Y1057-K1186 HydrophobicContact CD2-CB 3.96Å; Y1057-K1186 HydrophobicContact CE2-CB 3.75Å; Y1057-K1186 HydrophobicContact CE2-CG 4.47Å; Y1057-F1187 HydrophobicContact CD2-CD1 4.34Å; Y1057-F1187 HydrophobicContact CD2-CE1 4.4Å; Y1057-L1190 HydrophobicContact CD2-CD2 3.88Å; Y1057-L1190 HydrophobicContact CE2-CB 4.22Å; Y1057-L1190 HydrophobicContact CE2-CD1 3.89Å; Y1057-L1190 HydrophobicContact CE2-CD2 3.9Å; Y1057-L1190 HydrophobicContact CE2-CG 4.23Å
1058	Y	91.6	Very high	91.5	Very high	144 Å²	144	59.7 Å²	59.7	57%	0.565	26%	0.263	S	S	*	.	H	α-helix	trans	-63.4	-43.8	170.6	-77.4	-60.9	0	0	0	111.8	Q1054 Q1056 K1061 Y1062 F1187	Q1054-Y1058 HydrophobicContact CB-CD2 4.46Å; Q1054-Y1058 HydrophobicContact CB-CE2 4.35Å; Q1054-Y1058 WeakPolarHBondContact O-CD2 3.3Å; Q1054-Y1058 PolarHBondContact O-N 3.37Å; Q1056-Y1058 PolarHBondContact O-N 3.41Å; Y1058-K1061 PolarHBondContact O-N 2.92Å; Y1058-Y1062 VanDerWaalsContact O-CB 3.3Å; Y1058-Y1062 WeakPolarHBondContact O-CB 3.47Å; Y1058-Y1062 PolarHBondContact O-N 2.63Å; Y1058-F1187 HydrophobicContact CD1-CE2 4.14Å; Y1058-F1187 AromaticContact CD1-CZ 3.62Å; Y1058-F1187 HydrophobicContact CD1-CZ 3.62Å; Y1058-F1187 HydrophobicContact CD2-CE1 4Å; Y1058-F1187 AromaticContact CD2-CZ 3.8Å; Y1058-F1187 HydrophobicContact CD2-CZ 3.8Å; Y1058-F1187 HydrophobicContact CE1-CE1 4.36Å; Y1058-F1187 AromaticContact CE1-CE2 3.96Å; Y1058-F1187 HydrophobicContact CE1-CE2 3.96Å; Y1058-F1187 AromaticContact CE1-CZ 3.62Å; Y1058-F1187 HydrophobicContact CE1-CZ 3.62Å; Y1058-F1187 AromaticContact CE2-CE1 3.79Å; Y1058-F1187 HydrophobicContact CE2-CE1 3.79Å; Y1058-F1187 AromaticContact CE2-CZ 3.8Å; Y1058-F1187 HydrophobicContact CE2-CZ 3.8Å; Y1058-F1187 HydrophobicContact CG-CE1 4.36Å; Y1058-F1187 AromaticContact CG-CZ 3.7Å; Y1058-F1187 HydrophobicContact CG-CZ 3.7Å; Y1058-F1187 AromaticContact CZ-CE1 3.97Å; Y1058-F1187 AromaticContact CZ-CZ 3.7Å
1059	S	91.9	Very high	91.6	Very high	43 Å²	43	58.1 Å²	58.1	30%	0.301	26%	0.259	S	S	.	.	H	α-helix	trans	-65.8	-42.9	179.6	-55.5	0	0	0	0	112	E1055 Q1056 L1063	E1055-S1059 WeakPolarHBondContact O-CB 3.48Å; E1055-S1059 PolarHBondContact O-N 3.07Å; E1055-S1059 PolarHBondContact O-OG 2.8Å; Q1056-S1059 PolarHBondContact O-N 3.26Å; S1059-L1063 WeakPolarHBondContact O-CB 3.35Å; S1059-L1063 PolarHBondContact O-N 3.45Å
1060	E	92.3	Very high	91.7	Very high	13 Å²	13	61 Å²	61	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-45.5	174.9	-74.5	177.2	-161.3	0	0	112.2	M967 L970 V971 Q1056 Y1062 L1063 K1064 Y1183	M967-E1060 HydrophobicContact CE-CB 4.01Å; M967-E1060 HydrophobicContact CE-CG 4.05Å; L970-E1060 HydrophobicContact CD2-CG 4.43Å; V971-E1060 HydrophobicContact CG2-CG 4.41Å; Q1056-E1060 HydrophobicContact CG-CG 4.42Å; Q1056-E1060 VanDerWaalsContact CG-OE1 3.31Å; Q1056-E1060 WeakPolarHBondContact CG-OE1 3.27Å; Q1056-E1060 PolarHBondContact NE2-OE1 3.18Å; Q1056-E1060 WeakPolarHBondContact O-CG 3.14Å; Q1056-E1060 PolarHBondContact O-N 3.03Å; E1060-Y1062 VanDerWaalsContact C-N 3.34Å; E1060-Y1062 PolarHBondContact O-N 3.47Å; E1060-L1063 PolarHBondContact O-N 2.92Å; E1060-K1064 PolarHBondContact O-N 3.47Å; E1060-Y1183 HydrophobicContact CB-CE1 3.83Å; E1060-Y1183 WeakPolarHBondContact CB-OH 3.47Å; E1060-Y1183 PolarHBondContact OE2-OH 3.08Å
1061	K	92.8	Very high	91.8	Very high	40 Å²	40	60.5 Å²	60.5	17%	0.174	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-44.1	178.3	-171	-178.7	-172.3	171.5	0	110.9	Y1057 Y1058 R1065 L1179 D1180 Y1183	Y1057-K1061 WeakPolarHBondContact O-CB 3.1Å; Y1057-K1061 PolarHBondContact O-N 2.88Å; Y1058-K1061 PolarHBondContact O-N 2.92Å; K1061-R1065 WeakPolarHBondContact O-CB 3.48Å; K1061-R1065 PolarHBondContact O-N 3.03Å; K1061-L1179 HydrophobicContact CG-CG 4.43Å; K1061-D1180 WeakPolarHBondContact CE-OD1 3.46Å; K1061-D1180 PolarHBondContact NZ-O 3.21Å; K1061-D1180 IonicContact NZ-OD1 2.62Å; K1061-D1180 PolarHBondContact NZ-OD1 2.93Å; K1061-Y1183 HydrophobicContact CB-CD1 3.83Å; K1061-Y1183 HydrophobicContact CB-CD2 4.19Å; K1061-Y1183 HydrophobicContact CB-CE1 4.29Å; K1061-Y1183 HydrophobicContact CB-CG 3.79Å; K1061-Y1183 HydrophobicContact CD-CG 4.1Å; K1061-Y1183 HydrophobicContact CG-CD1 4.45Å; K1061-Y1183 HydrophobicContact CG-CD2 4.15Å; K1061-Y1183 HydrophobicContact CG-CG 3.91Å
1062	Y	93.5	Very high	91.9	Very high	155 Å²	155	54.8 Å²	54.8	61%	0.608	25%	0.246	S	C	*	.	H	α-helix	trans	-60	-51.1	176.4	-173	-86.5	0	0	0	111.1	Y1058 E1060 K1064 R1065 E1066	Y1058-Y1062 VanDerWaalsContact O-CB 3.3Å; Y1058-Y1062 WeakPolarHBondContact O-CB 3.47Å; Y1058-Y1062 PolarHBondContact O-N 2.63Å; E1060-Y1062 VanDerWaalsContact C-N 3.34Å; E1060-Y1062 PolarHBondContact O-N 3.47Å; Y1062-K1064 PolarHBondContact O-N 2.88Å; Y1062-R1065 WeakPolarHBondContact O-CA 3.28Å; Y1062-R1065 WeakPolarHBondContact O-CB 3.44Å; Y1062-R1065 PolarHBondContact O-N 3.19Å; Y1062-E1066 HydrophobicContact CD1-CG 4.11Å; Y1062-E1066 HydrophobicContact CE1-CG 3.72Å; Y1062-E1066 PolarHBondContact O-N 3.45Å
1063	L	93.3	Very high	91.9	Very high	40 Å²	40	59.9 Å²	59.9	21%	0.209	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-41.9	-179.3	-174.8	56.7	0	0	0	112.4	E966 M967 L970 S1059 E1060 R1065 E1066 H1067	E966-L1063 HydrophobicContact CB-CD2 4.34Å; M967-L1063 HydrophobicContact CG-CD2 4.41Å; M967-L1063 HydrophobicContact SD-CB 3.92Å; M967-L1063 HydrophobicContact SD-CD2 3.66Å; M967-L1063 HydrophobicContact SD-CG 3.74Å; L970-L1063 HydrophobicContact CB-CD2 4.28Å; L970-L1063 HydrophobicContact CD2-CB 4.09Å; L970-L1063 HydrophobicContact CD2-CD2 3.73Å; S1059-L1063 WeakPolarHBondContact O-CB 3.35Å; S1059-L1063 PolarHBondContact O-N 3.45Å; E1060-L1063 PolarHBondContact O-N 2.92Å; L1063-R1065 VanDerWaalsContact C-N 3.3Å; L1063-R1065 PolarHBondContact O-N 2.87Å; L1063-E1066 PolarHBondContact O-N 3.06Å; L1063-H1067 WeakPolarHBondContact O-CB 3.3Å; L1063-H1067 PolarHBondContact O-N 3.24Å
1064	K	92.1	Very high	92.1	Very high	63 Å²	63	59.3 Å²	59.3	27%	0.274	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-38.2	170.8	-78.9	-167.2	175.8	-171.3	0	112.4	M967 E1060 Y1062 E1066 H1067 I1068 L1179 E1182 Y1183	M967-K1064 HydrophobicContact CE-CG 3.89Å; M967-K1064 HydrophobicContact SD-CG 4.09Å; E1060-K1064 PolarHBondContact O-N 3.47Å; Y1062-K1064 PolarHBondContact O-N 2.88Å; K1064-E1066 VanDerWaalsContact C-N 3.34Å; K1064-H1067 PolarHBondContact O-N 2.68Å; K1064-I1068 WeakPolarHBondContact O-CG1 3.32Å; K1064-I1068 PolarHBondContact O-N 3.41Å; K1064-I1068 VanDerWaalsContact O-N 3.15Å; K1064-L1179 HydrophobicContact CB-CD1 3.64Å; K1064-L1179 HydrophobicContact CB-CD2 3.8Å; K1064-L1179 HydrophobicContact CB-CG 4.41Å; K1064-L1179 HydrophobicContact CD-CD1 3.4Å; K1064-L1179 VanDerWaalsContact CD-CD1 3.4Å; K1064-L1179 HydrophobicContact CG-CD1 4.19Å; K1064-E1182 IonicContact NZ-OE1 3.25Å; K1064-E1182 PolarHBondContact NZ-OE1 3.44Å; K1064-E1182 IonicContact NZ-OE2 3.98Å; K1064-E1182 PolarHBondContact NZ-OE2 3.46Å; K1064-Y1183 HydrophobicContact CD-CE2 3.94Å
1065	R	91.7	Very high	92.1	Very high	122 Å²	122	56.4 Å²	56.4	46%	0.46	26%	0.255	S	S	.	.	H	α-helix	trans	-67.1	-34.9	180	-162.8	-178.7	-160.8	-167.2	6.7	112.3	K1061 Y1062 L1063 P1069 L1179	K1061-R1065 WeakPolarHBondContact O-CB 3.48Å; K1061-R1065 PolarHBondContact O-N 3.03Å; Y1062-R1065 WeakPolarHBondContact O-CA 3.28Å; Y1062-R1065 WeakPolarHBondContact O-CB 3.44Å; Y1062-R1065 PolarHBondContact O-N 3.19Å; L1063-R1065 VanDerWaalsContact C-N 3.3Å; L1063-R1065 PolarHBondContact O-N 2.87Å; R1065-P1069 WeakPolarHBondContact O-CD 3.34Å; R1065-L1179 HydrophobicContact CB-CD2 3.93Å; R1065-L1179 HydrophobicContact CG-CD2 4.46Å
1066	E	92.6	Very high	92.3	Very high	82 Å²	82	54.7 Å²	54.7	38%	0.383	25%	0.249	S	C	.	.	H	α-helix	trans	-72.5	-33.2	171.5	-66	-60.6	108.2	0	0	112.4	Y1062 L1063 K1064 P1069 Q1070	Y1062-E1066 HydrophobicContact CD1-CG 4.11Å; Y1062-E1066 HydrophobicContact CE1-CG 3.72Å; Y1062-E1066 PolarHBondContact O-N 3.45Å; L1063-E1066 PolarHBondContact O-N 3.06Å; K1064-E1066 VanDerWaalsContact C-N 3.34Å; E1066-P1069 VanDerWaalsContact O-CD 3.31Å; E1066-P1069 WeakPolarHBondContact O-CD 2.94Å; E1066-P1069 WeakPolarHBondContact O-CG 3.32Å; E1066-Q1070 VanDerWaalsContact O-CD 3.31Å; E1066-Q1070 VanDerWaalsContact O-CG 3.31Å; E1066-Q1070 WeakPolarHBondContact O-CG 3.41Å; E1066-Q1070 PolarHBondContact O-NE2 2.78Å
1067	H	95.2	Very high	92.4	Very high	11 Å²	11	56.5 Å²	56.5	5%	0.051	26%	0.261	C	S	.	.	H	α-helix	trans	-69.4	-33.7	178.4	-74.1	170.3	0	0	0	114	Q963 E966 L1063 K1064 Q1070 L1071	Q963-H1067 HydrophobicContact CG-CB 4.25Å; Q963-H1067 PolarHBondContact NE2-O 2.74Å; Q963-H1067 PolarHBondContact O-CE1 2.92Å; E966-H1067 IonicContact OE2-CD2 2.64Å; E966-H1067 IonicContact OE2-CE1 2.68Å; E966-H1067 IonicContact OE2-NE2 2.68Å; E966-H1067 PolarHBondContact OE2-NE2 3.2Å; L1063-H1067 WeakPolarHBondContact O-CB 3.3Å; L1063-H1067 PolarHBondContact O-N 3.24Å; K1064-H1067 PolarHBondContact O-N 2.68Å; H1067-Q1070 PolarHBondContact O-N 3.05Å; H1067-L1071 PolarHBondContact O-N 3.47Å
1068	I	91.9	Very high	92.3	Very high	17 Å²	17	55.6 Å²	55.6	9%	0.087	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-56.6	178.7	-69.1	162.8	0	0	0	113.4	K1064 Q1070 L1071 V1072 K1172 L1175 Q1176 L1179	K1064-I1068 WeakPolarHBondContact O-CG1 3.32Å; K1064-I1068 PolarHBondContact O-N 3.41Å; K1064-I1068 VanDerWaalsContact O-N 3.15Å; I1068-Q1070 VanDerWaalsContact C-N 3.26Å; I1068-Q1070 PolarHBondContact O-N 3Å; I1068-L1071 PolarHBondContact O-N 2.84Å; I1068-V1072 WeakPolarHBondContact O-CG2 3.44Å; I1068-V1072 PolarHBondContact O-N 2.97Å; I1068-V1072 VanDerWaalsContact O-N 3.09Å; I1068-K1172 HydrophobicContact CG2-CG 4.34Å; I1068-L1175 HydrophobicContact CD1-CB 4.07Å; I1068-L1175 WeakPolarHBondContact CD1-O 3.19Å; I1068-L1175 HydrophobicContact CG1-CB 4.2Å; I1068-L1175 HydrophobicContact CG2-CB 4.01Å; I1068-L1175 HydrophobicContact CG2-CD1 4.39Å; I1068-Q1176 HydrophobicContact CD1-CG 4.05Å; I1068-Q1176 HydrophobicContact CG2-CG 4.12Å; I1068-L1179 HydrophobicContact CD1-CB 4.2Å; I1068-L1179 HydrophobicContact CD1-CD2 3.67Å
1069	P	90.6	Very high	92.3	Very high	38 Å²	38	48.7 Å²	48.7	25%	0.247	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-34.8	-179.9	24.2	-33.5	0	0	0	112.1	R1065 E1066 L1071 V1072 E1073	R1065-P1069 WeakPolarHBondContact O-CD 3.34Å; E1066-P1069 VanDerWaalsContact O-CD 3.31Å; E1066-P1069 WeakPolarHBondContact O-CD 2.94Å; E1066-P1069 WeakPolarHBondContact O-CG 3.32Å; P1069-L1071 PolarHBondContact O-N 3.37Å; P1069-V1072 PolarHBondContact O-N 3.36Å; P1069-E1073 VanDerWaalsContact O-CB 3.25Å; P1069-E1073 WeakPolarHBondContact O-CB 3.31Å; P1069-E1073 PolarHBondContact O-N 3.42Å
1070	Q	92.1	Very high	92.3	Very high	65 Å²	65	51 Å²	51	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-39.8	176.2	-65	168.6	12.3	0	0	112.5	E1066 H1067 I1068 K1074	E1066-Q1070 VanDerWaalsContact O-CD 3.31Å; E1066-Q1070 VanDerWaalsContact O-CG 3.31Å; E1066-Q1070 WeakPolarHBondContact O-CG 3.41Å; E1066-Q1070 PolarHBondContact O-NE2 2.78Å; H1067-Q1070 PolarHBondContact O-N 3.05Å; I1068-Q1070 VanDerWaalsContact C-N 3.26Å; I1068-Q1070 PolarHBondContact O-N 3Å; Q1070-K1074 VanDerWaalsContact O-CB 3.22Å; Q1070-K1074 WeakPolarHBondContact O-CB 3.35Å; Q1070-K1074 PolarHBondContact O-N 2.78Å
1071	L	90.9	Very high	92.3	Very high	31 Å²	31	55.9 Å²	55.9	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-43.7	174.7	-72.8	178.4	0	0	0	111.9	F956 E959 H1067 I1068 P1069 K1074 L1075	F956-L1071 HydrophobicContact CE2-CB 4.07Å; F956-L1071 HydrophobicContact CE2-CD2 3.95Å; F956-L1071 HydrophobicContact CZ-CB 4.4Å; F956-L1071 HydrophobicContact CZ-CD2 4.09Å; E959-L1071 HydrophobicContact CB-CD2 4.43Å; E959-L1071 HydrophobicContact CG-CD2 4.41Å; H1067-L1071 PolarHBondContact O-N 3.47Å; I1068-L1071 PolarHBondContact O-N 2.84Å; P1069-L1071 PolarHBondContact O-N 3.37Å; L1071-K1074 PolarHBondContact O-N 3.43Å; L1071-L1075 VanDerWaalsContact O-CB 3.28Å; L1071-L1075 WeakPolarHBondContact O-CB 3.49Å; L1071-L1075 PolarHBondContact O-N 3.33Å
1072	V	92.3	Very high	92.1	Very high	11 Å²	11	55.3 Å²	55.3	7%	0.067	26%	0.261	C	S	.	.	H	α-helix	trans	-65.7	-43.6	179.7	173.1	0	0	0	0	111	I1068 P1069 L1075 T1076 I1168 K1172	I1068-V1072 WeakPolarHBondContact O-CG2 3.44Å; I1068-V1072 PolarHBondContact O-N 2.97Å; I1068-V1072 VanDerWaalsContact O-N 3.09Å; P1069-V1072 PolarHBondContact O-N 3.36Å; V1072-L1075 PolarHBondContact O-N 3.21Å; V1072-T1076 WeakPolarHBondContact O-CB 3.44Å; V1072-T1076 PolarHBondContact O-N 2.81Å; V1072-T1076 PolarHBondContact O-OG1 2.69Å; V1072-I1168 HydrophobicContact CG1-CG2 4.2Å; V1072-I1168 WeakPolarHBondContact CG1-O 3.48Å; V1072-K1172 HydrophobicContact CG1-CB 4.33Å; V1072-K1172 HydrophobicContact CG2-CB 4.04Å
1073	E	92	Very high	92	Very high	134 Å²	134	48.5 Å²	48.5	63%	0.626	23%	0.234	S	C	*	.	H	α-helix	trans	-59.2	-48.7	172.2	-177.1	-178.3	-177.6	0	0	110.6	P1069 L1075 T1076 T1077	P1069-E1073 VanDerWaalsContact O-CB 3.25Å; P1069-E1073 WeakPolarHBondContact O-CB 3.31Å; P1069-E1073 PolarHBondContact O-N 3.42Å; E1073-L1075 PolarHBondContact O-N 3.28Å; E1073-T1076 WeakPolarHBondContact O-CA 3.44Å; E1073-T1076 WeakPolarHBondContact O-CB 3.28Å; E1073-T1076 PolarHBondContact O-N 3.07Å; E1073-T1076 VanDerWaalsContact O-N 3.13Å; E1073-T1077 PolarHBondContact O-N 2.89Å; E1073-T1077 PolarHBondContact O-OG1 3.41Å
1074	K	92.7	Very high	91.9	Very high	65 Å²	65	50.4 Å²	50.4	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-66.8	-36.3	-177.7	-169.9	52.7	177.2	165.9	0	113.1	E959 Q1070 L1071 I1078	E959-K1074 HydrophobicContact CB-CG 4.41Å; Q1070-K1074 VanDerWaalsContact O-CB 3.22Å; Q1070-K1074 WeakPolarHBondContact O-CB 3.35Å; Q1070-K1074 PolarHBondContact O-N 2.78Å; L1071-K1074 PolarHBondContact O-N 3.43Å; K1074-I1078 HydrophobicContact CG-CD1 4.26Å; K1074-I1078 WeakPolarHBondContact O-CD1 3.26Å; K1074-I1078 VanDerWaalsContact O-CG1 3.28Å; K1074-I1078 WeakPolarHBondContact O-CG1 3.36Å; K1074-I1078 PolarHBondContact O-N 3.01Å; K1074-I1078 VanDerWaalsContact O-N 3.15Å
1075	L	92.2	Very high	91.8	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-67.3	-38.8	172.7	-172.5	58.6	0	0	0	111.3	V947 L950 K951 F956 L1071 V1072 E1073 I1078 A1079 I1168	V947-L1075 HydrophobicContact CG1-CD2 4.19Å; L950-L1075 HydrophobicContact CB-CD1 3.74Å; K951-L1075 HydrophobicContact CD-CD2 4.37Å; K951-L1075 HydrophobicContact CG-CD1 3.85Å; K951-L1075 HydrophobicContact CG-CD2 3.87Å; F956-L1075 HydrophobicContact CD2-CB 3.89Å; F956-L1075 HydrophobicContact CD2-CD1 4.05Å; F956-L1075 HydrophobicContact CD2-CG 4.45Å; F956-L1075 HydrophobicContact CE2-CB 3.83Å; F956-L1075 HydrophobicContact CE2-CD1 4.34Å; F956-L1075 HydrophobicContact CE2-CD2 4.3Å; F956-L1075 HydrophobicContact CE2-CG 4.39Å; L1071-L1075 VanDerWaalsContact O-CB 3.28Å; L1071-L1075 WeakPolarHBondContact O-CB 3.49Å; L1071-L1075 PolarHBondContact O-N 3.33Å; V1072-L1075 PolarHBondContact O-N 3.21Å; E1073-L1075 PolarHBondContact O-N 3.28Å; L1075-I1078 PolarHBondContact O-N 3.26Å; L1075-A1079 WeakPolarHBondContact O-CB 3.31Å; L1075-A1079 PolarHBondContact O-N 3.47Å; L1075-I1168 HydrophobicContact CB-CG2 4.28Å; L1075-I1168 HydrophobicContact CD2-CG1 4.02Å; L1075-I1168 HydrophobicContact CD2-CG2 4.16Å; L1075-I1168 HydrophobicContact CG-CD1 4.1Å; L1075-I1168 HydrophobicContact CG-CG1 4.14Å; L1075-I1168 HydrophobicContact CG-CG2 4.16Å
1076	T	92.3	Very high	91.7	Very high	33 Å²	33	45.7 Å²	45.7	20%	0.202	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-49.9	173	-56.7	0	0	0	0	110.6	V1072 E1073 I1078 A1079 E1080 I1168	V1072-T1076 WeakPolarHBondContact O-CB 3.44Å; V1072-T1076 PolarHBondContact O-N 2.81Å; V1072-T1076 PolarHBondContact O-OG1 2.69Å; E1073-T1076 WeakPolarHBondContact O-CA 3.44Å; E1073-T1076 WeakPolarHBondContact O-CB 3.28Å; E1073-T1076 PolarHBondContact O-N 3.07Å; E1073-T1076 VanDerWaalsContact O-N 3.13Å; T1076-I1078 VanDerWaalsContact C-N 3.3Å; T1076-I1078 PolarHBondContact O-N 3.49Å; T1076-A1079 WeakPolarHBondContact O-CA 3.47Å; T1076-A1079 WeakPolarHBondContact O-CB 3.31Å; T1076-A1079 PolarHBondContact O-N 3.25Å; T1076-A1079 VanDerWaalsContact O-N 3.08Å; T1076-E1080 HydrophobicContact CG2-CG 4.4Å; T1076-E1080 VanDerWaalsContact O-CG 3.26Å; T1076-E1080 WeakPolarHBondContact O-CG 3.39Å; T1076-E1080 PolarHBondContact O-N 3.02Å; T1076-I1168 WeakPolarHBondContact OG1-CG2 3.48Å
1077	T	93.1	Very high	91.4	Very high	49 Å²	49	43.7 Å²	43.7	30%	0.301	24%	0.237	S	C	.	.	H	α-helix	trans	-55.9	-44.8	177.4	-41.1	0	0	0	0	111.8	E1073 A1079 E1080 E1081	E1073-T1077 PolarHBondContact O-N 2.89Å; E1073-T1077 PolarHBondContact O-OG1 3.41Å; T1077-A1079 VanDerWaalsContact C-N 3.34Å; T1077-A1079 PolarHBondContact O-N 2.85Å; T1077-E1080 PolarHBondContact O-N 2.85Å; T1077-E1081 WeakPolarHBondContact O-CG 3.49Å; T1077-E1081 PolarHBondContact O-N 3.21Å
1078	I	92.2	Very high	91.1	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-38.5	179.1	-69.7	166	0	0	0	110.8	L950 Q953 F956 K1074 L1075 T1076 C1082	L950-I1078 HydrophobicContact CD2-CG2 4.11Å; Q953-I1078 HydrophobicContact CB-CG2 3.9Å; Q953-I1078 HydrophobicContact CG-CG2 3.74Å; F956-I1078 HydrophobicContact CB-CD1 3.86Å; K1074-I1078 HydrophobicContact CG-CD1 4.26Å; K1074-I1078 WeakPolarHBondContact O-CD1 3.26Å; K1074-I1078 VanDerWaalsContact O-CG1 3.28Å; K1074-I1078 WeakPolarHBondContact O-CG1 3.36Å; K1074-I1078 PolarHBondContact O-N 3.01Å; K1074-I1078 VanDerWaalsContact O-N 3.15Å; L1075-I1078 PolarHBondContact O-N 3.26Å; T1076-I1078 VanDerWaalsContact C-N 3.3Å; T1076-I1078 PolarHBondContact O-N 3.49Å; I1078-C1082 WeakPolarHBondContact O-CB 3.41Å; I1078-C1082 PolarHBondContact O-N 2.85Å; I1078-C1082 PolarHBondContact O-SG 3.46Å
1079	A	91.5	Very high	91	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-45.7	171.5	0	0	0	0	0	111.3	L950 L1075 T1076 T1077 C1082 Q1083 I1168	L950-A1079 HydrophobicContact CD1-CB 3.88Å; L1075-A1079 WeakPolarHBondContact O-CB 3.31Å; L1075-A1079 PolarHBondContact O-N 3.47Å; T1076-A1079 WeakPolarHBondContact O-CA 3.47Å; T1076-A1079 WeakPolarHBondContact O-CB 3.31Å; T1076-A1079 PolarHBondContact O-N 3.25Å; T1076-A1079 VanDerWaalsContact O-N 3.08Å; T1077-A1079 VanDerWaalsContact C-N 3.34Å; T1077-A1079 PolarHBondContact O-N 2.85Å; A1079-C1082 PolarHBondContact O-N 2.91Å; A1079-Q1083 WeakPolarHBondContact O-CB 3.38Å; A1079-Q1083 WeakPolarHBondContact O-CG 3.48Å; A1079-Q1083 PolarHBondContact O-N 3.47Å; A1079-I1168 HydrophobicContact CB-CD1 3.77Å
1080	E	91.7	Very high	90.8	Very high	90 Å²	90	53.4 Å²	53.4	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-44.4	178.1	-55.4	-143.9	94.2	0	0	112.8	T1076 T1077 Q1083 S1084 R1165	T1076-E1080 HydrophobicContact CG2-CG 4.4Å; T1076-E1080 VanDerWaalsContact O-CG 3.26Å; T1076-E1080 WeakPolarHBondContact O-CG 3.39Å; T1076-E1080 PolarHBondContact O-N 3.02Å; T1077-E1080 PolarHBondContact O-N 2.85Å; E1080-Q1083 PolarHBondContact O-N 2.99Å; E1080-S1084 WeakPolarHBondContact O-CB 3.48Å; E1080-S1084 PolarHBondContact O-N 3.37Å; E1080-R1165 IonicContact OE1-CZ 2.66Å; E1080-R1165 IonicContact OE1-NH1 3.63Å; E1080-R1165 PolarHBondContact OE1-NH1 3.39Å; E1080-R1165 IonicContact OE1-NH2 3.52Å; E1080-R1165 PolarHBondContact OE1-NH2 2.96Å
1081	E	91.9	Very high	90.5	Very high	117 Å²	117	56.2 Å²	56.2	55%	0.547	29%	0.286	S	S	.	.	H	α-helix	trans	-59.5	-49.7	176.1	-73.8	173.2	-171.7	0	0	111.2	T1077 S1084 A1085	T1077-E1081 WeakPolarHBondContact O-CG 3.49Å; T1077-E1081 PolarHBondContact O-N 3.21Å; E1081-S1084 PolarHBondContact O-N 2.86Å; E1081-A1085 PolarHBondContact O-N 3.22Å
1082	C	89.3	Confident	90.4	Very high	28 Å²	28	59.2 Å²	59.2	19%	0.189	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-44.3	177.8	-76	0	0	0	0	112.6	Q945 L950 I1078 A1079 A1085 Q1086	Q945-C1082 VanDerWaalsContact OE1-CB 3.3Å; Q945-C1082 PolarHBondContact OE1-SG 2.61Å; L950-C1082 HydrophobicContact CD2-CB 3.93Å; I1078-C1082 WeakPolarHBondContact O-CB 3.41Å; I1078-C1082 PolarHBondContact O-N 2.85Å; I1078-C1082 PolarHBondContact O-SG 3.46Å; A1079-C1082 PolarHBondContact O-N 2.91Å; C1082-A1085 PolarHBondContact O-N 2.87Å; C1082-Q1086 WeakPolarHBondContact O-CG 3.04Å; C1082-Q1086 PolarHBondContact O-N 3.44Å
1083	Q	91.3	Very high	90.1	Very high	11 Å²	11	60.3 Å²	60.3	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-41.5	178.8	-71.7	175.4	-0.5	0	0	111.5	A1079 E1080 Q1086 L1087 H1161 R1165	A1079-Q1083 WeakPolarHBondContact O-CB 3.38Å; A1079-Q1083 WeakPolarHBondContact O-CG 3.48Å; A1079-Q1083 PolarHBondContact O-N 3.47Å; E1080-Q1083 PolarHBondContact O-N 2.99Å; Q1083-Q1086 PolarHBondContact O-N 3.28Å; Q1083-L1087 WeakPolarHBondContact O-CB 3.46Å; Q1083-L1087 WeakPolarHBondContact O-CG 3.34Å; Q1083-L1087 PolarHBondContact O-N 2.92Å; Q1083-H1161 HydrophobicContact CG-CB 4.06Å; Q1083-H1161 PolarHBondContact NE2-O 3.49Å; Q1083-R1165 VanDerWaalsContact OE1-NH2 3.07Å
1084	S	90.8	Very high	89.9	Confident	80 Å²	80	54.7 Å²	54.7	56%	0.559	28%	0.283	S	S	*	.	H	α-helix	trans	-60.9	-43.3	173.1	-174.4	0	0	0	0	111.8	E1080 E1081 Q1086 L1087 K1088	E1080-S1084 WeakPolarHBondContact O-CB 3.48Å; E1080-S1084 PolarHBondContact O-N 3.37Å; E1081-S1084 PolarHBondContact O-N 2.86Å; S1084-Q1086 PolarHBondContact O-N 3Å; S1084-L1087 PolarHBondContact O-N 3.38Å; S1084-K1088 PolarHBondContact O-N 2.61Å
1085	A	89.7	Confident	89.5	Confident	60 Å²	60	56.8 Å²	56.8	50%	0.496	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-39.6	174.5	0	0	0	0	0	112.7	E1081 C1082 K1088 K1089	E1081-A1085 PolarHBondContact O-N 3.22Å; C1082-A1085 PolarHBondContact O-N 2.87Å; A1085-K1088 PolarHBondContact O-N 2.9Å; A1085-K1089 WeakPolarHBondContact O-CB 3.36Å; A1085-K1089 PolarHBondContact O-N 3.04Å
1086	Q	88.9	Confident	89.3	Confident	27 Å²	27	63 Å²	63	13%	0.126	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-41.2	173.5	-71	-166.9	-28.4	0	0	112.2	L942 E943 C1082 Q1083 S1084 K1088 K1089 I1090 H1161	L942-Q1086 HydrophobicContact CD2-CB 4.1Å; L942-Q1086 HydrophobicContact CD2-CG 4.12Å; E943-Q1086 PolarHBondContact O-NE2 2.97Å; C1082-Q1086 WeakPolarHBondContact O-CG 3.04Å; C1082-Q1086 PolarHBondContact O-N 3.44Å; Q1083-Q1086 PolarHBondContact O-N 3.28Å; S1084-Q1086 PolarHBondContact O-N 3Å; Q1086-K1088 VanDerWaalsContact C-N 3.3Å; Q1086-K1088 PolarHBondContact O-N 2.77Å; Q1086-K1089 PolarHBondContact O-N 2.9Å; Q1086-I1090 PolarHBondContact O-N 3.38Å; Q1086-H1161 PolarHBondContact OE1-NE2 3.38Å
1087	L	87.8	Confident	89	Confident	40 Å²	40	61.7 Å²	61.7	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-70.4	-22.3	176.4	-71.1	173.7	0	0	0	113.5	Q1083 S1084 I1090 K1091 Q1154 L1157 Q1158	Q1083-L1087 WeakPolarHBondContact O-CB 3.46Å; Q1083-L1087 WeakPolarHBondContact O-CG 3.34Å; Q1083-L1087 PolarHBondContact O-N 2.92Å; S1084-L1087 PolarHBondContact O-N 3.38Å; L1087-I1090 HydrophobicContact CD2-CG2 4.42Å; L1087-I1090 WeakPolarHBondContact O-CG2 3.43Å; L1087-K1091 WeakPolarHBondContact O-CG 3.3Å; L1087-Q1154 HydrophobicContact CD2-CG 4.14Å; L1087-L1157 HydrophobicContact CD2-CD2 4.39Å; L1087-Q1158 HydrophobicContact CD1-CG 4.45Å; L1087-Q1158 HydrophobicContact CD2-CG 3.81Å
1088	K	88.9	Confident	88.5	Confident	141 Å²	141	63.1 Å²	63.1	61%	0.613	31%	0.314	S	S	*	.	H	α-helix	trans	-74	-52.3	165.4	-172.9	175.6	179.2	179.2	0	110.8	S1084 A1085 Q1086 I1090 K1091 D1092	S1084-K1088 PolarHBondContact O-N 2.61Å; A1085-K1088 PolarHBondContact O-N 2.9Å; Q1086-K1088 VanDerWaalsContact C-N 3.3Å; Q1086-K1088 PolarHBondContact O-N 2.77Å; K1088-I1090 VanDerWaalsContact C-N 3.28Å; K1088-I1090 PolarHBondContact O-N 3.3Å; K1088-K1091 WeakPolarHBondContact O-CB 3.5Å; K1088-K1091 PolarHBondContact O-N 3.49Å; K1088-D1092 PolarHBondContact O-N 3.15Å; K1088-D1092 VanDerWaalsContact O-N 3.12Å
1089	K	88.6	Confident	88.1	Confident	127 Å²	127	68.1 Å²	68.1	55%	0.552	34%	0.336	S	S	*	.	H	α-helix	trans	-57.5	-36.7	-179	-174.4	175.1	175.1	-174	0	113	L942 A1085 Q1086 D1092 I1093	L942-K1089 HydrophobicContact CD1-CB 4.37Å; L942-K1089 HydrophobicContact CD1-CD 3.97Å; L942-K1089 HydrophobicContact CD1-CG 4Å; A1085-K1089 WeakPolarHBondContact O-CB 3.36Å; A1085-K1089 PolarHBondContact O-N 3.04Å; Q1086-K1089 PolarHBondContact O-N 2.9Å; K1089-D1092 PolarHBondContact O-N 3.43Å; K1089-I1093 HydrophobicContact CG-CD1 4.24Å; K1089-I1093 VanDerWaalsContact O-CG1 3.28Å; K1089-I1093 WeakPolarHBondContact O-CG1 3.48Å; K1089-I1093 PolarHBondContact O-N 2.83Å
1090	I	87.2	Confident	87.7	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-69.5	-31.8	176.1	-159.5	172.1	0	0	0	112.5	Q1086 L1087 K1088 I1093 C1094 R1153 L1157	Q1086-I1090 PolarHBondContact O-N 3.38Å; L1087-I1090 HydrophobicContact CD2-CG2 4.42Å; L1087-I1090 WeakPolarHBondContact O-CG2 3.43Å; K1088-I1090 VanDerWaalsContact C-N 3.28Å; K1088-I1090 PolarHBondContact O-N 3.3Å; I1090-I1093 PolarHBondContact O-N 3.33Å; I1090-C1094 WeakPolarHBondContact O-CB 3.47Å; I1090-C1094 PolarHBondContact O-N 3Å; I1090-C1094 PolarHBondContact O-SG 3.28Å; I1090-R1153 HydrophobicContact CD1-CG 4.11Å; I1090-L1157 HydrophobicContact CD1-CD2 3.91Å
1091	K	86.2	Confident	87.4	Confident	124 Å²	124	66.3 Å²	66.3	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-68.4	-43.6	173.7	-70.8	173.9	-179.3	-178.7	0	111.4	L1087 K1088 I1093 C1094 E1095	L1087-K1091 WeakPolarHBondContact O-CG 3.3Å; K1088-K1091 WeakPolarHBondContact O-CB 3.5Å; K1088-K1091 PolarHBondContact O-N 3.49Å; K1091-I1093 VanDerWaalsContact C-N 3.26Å; K1091-I1093 PolarHBondContact O-N 3.38Å; K1091-C1094 WeakPolarHBondContact O-CB 3.46Å; K1091-C1094 PolarHBondContact O-N 3.45Å; K1091-C1094 VanDerWaalsContact O-N 3.12Å; K1091-E1095 PolarHBondContact O-N 3.21Å
1092	D	87.1	Confident	86.8	Confident	94 Å²	94	66.5 Å²	66.5	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-59.5	-39.4	175.1	-58.3	-31	0	0	0	111.2	K1088 K1089 K1096	K1088-D1092 PolarHBondContact O-N 3.15Å; K1088-D1092 VanDerWaalsContact O-N 3.12Å; K1089-D1092 PolarHBondContact O-N 3.43Å; D1092-K1096 PolarHBondContact O-N 2.76Å
1093	I	87.8	Confident	86.5	Confident	33 Å²	33	71.6 Å²	71.6	17%	0.169	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-51	171.4	-71.8	166.2	0	0	0	110.8	L942 K1089 I1090 K1091 E1095 K1096 E1097	L942-I1093 HydrophobicContact CD1-CD1 4.06Å; K1089-I1093 HydrophobicContact CG-CD1 4.24Å; K1089-I1093 VanDerWaalsContact O-CG1 3.28Å; K1089-I1093 WeakPolarHBondContact O-CG1 3.48Å; K1089-I1093 PolarHBondContact O-N 2.83Å; I1090-I1093 PolarHBondContact O-N 3.33Å; K1091-I1093 VanDerWaalsContact C-N 3.26Å; K1091-I1093 PolarHBondContact O-N 3.38Å; I1093-E1095 VanDerWaalsContact C-N 3.26Å; I1093-E1095 PolarHBondContact O-N 3.16Å; I1093-K1096 WeakPolarHBondContact O-CB 3.17Å; I1093-K1096 PolarHBondContact O-N 3.35Å; I1093-E1097 HydrophobicContact CG2-CG 4.15Å; I1093-E1097 VanDerWaalsContact CG2-OE1 3.24Å; I1093-E1097 WeakPolarHBondContact CG2-OE1 3.35Å; I1093-E1097 VanDerWaalsContact O-CG 3.26Å; I1093-E1097 WeakPolarHBondContact O-CG 3.49Å; I1093-E1097 PolarHBondContact O-N 3.27Å
1094	C	85.9	Confident	86.1	Confident	16 Å²	16	75.1 Å²	75.1	11%	0.108	36%	0.362	C	S	.	.	H	α-helix	trans	-55.4	-39.7	179.3	-71.9	0	0	0	0	112.8	I1090 K1091 K1098 Q1150 R1153	I1090-C1094 WeakPolarHBondContact O-CB 3.47Å; I1090-C1094 PolarHBondContact O-N 3Å; I1090-C1094 PolarHBondContact O-SG 3.28Å; K1091-C1094 WeakPolarHBondContact O-CB 3.46Å; K1091-C1094 PolarHBondContact O-N 3.45Å; K1091-C1094 VanDerWaalsContact O-N 3.12Å; C1094-K1098 WeakPolarHBondContact O-CG 3.44Å; C1094-K1098 PolarHBondContact O-N 3.17Å; C1094-K1098 VanDerWaalsContact O-N 3.08Å; C1094-Q1150 VanDerWaalsContact CA-NE2 3.31Å; C1094-Q1150 HydrophobicContact CB-CG 4.34Å; C1094-Q1150 PolarHBondContact O-NE2 3.09Å; C1094-R1153 PolarHBondContact SG-NH2 3.17Å
1095	E	85.1	Confident	85.6	Confident	109 Å²	109	71.4 Å²	71.4	51%	0.509	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-44.8	174	-85.9	-159.4	-151.4	0	0	113.1	K1091 I1093 E1097 K1098 K1099	K1091-E1095 PolarHBondContact O-N 3.21Å; I1093-E1095 VanDerWaalsContact C-N 3.26Å; I1093-E1095 PolarHBondContact O-N 3.16Å; E1095-E1097 VanDerWaalsContact C-N 3.31Å; E1095-E1097 PolarHBondContact O-N 2.85Å; E1095-K1098 PolarHBondContact O-N 3.05Å; E1095-K1099 WeakPolarHBondContact O-CD 3.5Å; E1095-K1099 VanDerWaalsContact O-CG 3.25Å; E1095-K1099 WeakPolarHBondContact O-CG 3.14Å; E1095-K1099 PolarHBondContact O-N 3.49Å; E1095-K1099 IonicContact OE2-NZ 3.93Å; E1095-K1099 PolarHBondContact OE2-NZ 2.67Å
1096	K	87.1	Confident	85	Confident	135 Å²	135	71.7 Å²	71.7	59%	0.587	33%	0.329	S	S	*	.	H	α-helix	trans	-61.4	-43.5	177.9	-173.7	-175.8	175.3	-170.1	0	110.8	D1092 I1093 K1098 K1099 D1100	D1092-K1096 PolarHBondContact O-N 2.76Å; I1093-K1096 WeakPolarHBondContact O-CB 3.17Å; I1093-K1096 PolarHBondContact O-N 3.35Å; K1096-K1098 PolarHBondContact O-N 3.39Å; K1096-K1099 WeakPolarHBondContact O-CB 3.27Å; K1096-K1099 PolarHBondContact O-N 2.92Å; K1096-D1100 PolarHBondContact O-N 3.04Å
1097	E	86.2	Confident	84.7	Confident	5 Å²	5	76.5 Å²	76.5	2%	0.023	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-45	176.1	-70.2	174	167.2	0	0	112.3	V938 L939 T940 I1093 E1095 K1099 D1100 L1101 M1146 Q1150 R1153	V938-E1097 HydrophobicContact CG1-CB 3.62Å; V938-E1097 HydrophobicContact CG1-CG 3.79Å; L939-E1097 WeakPolarHBondContact CA-OE1 3.34Å; T940-E1097 PolarHBondContact N-OE1 2.86Å; I1093-E1097 HydrophobicContact CG2-CG 4.15Å; I1093-E1097 VanDerWaalsContact CG2-OE1 3.24Å; I1093-E1097 WeakPolarHBondContact CG2-OE1 3.35Å; I1093-E1097 VanDerWaalsContact O-CG 3.26Å; I1093-E1097 WeakPolarHBondContact O-CG 3.49Å; I1093-E1097 PolarHBondContact O-N 3.27Å; E1095-E1097 VanDerWaalsContact C-N 3.31Å; E1095-E1097 PolarHBondContact O-N 2.85Å; E1097-K1099 PolarHBondContact O-N 2.99Å; E1097-D1100 PolarHBondContact O-N 3.1Å; E1097-L1101 WeakPolarHBondContact O-CB 3.14Å; E1097-L1101 PolarHBondContact O-N 3.35Å; E1097-M1146 HydrophobicContact CB-CE 3.82Å; E1097-Q1150 PolarHBondContact OE2-NE2 2.71Å; E1097-R1153 IonicContact OE1-CZ 2.72Å; E1097-R1153 IonicContact OE1-NH1 2.62Å; E1097-R1153 PolarHBondContact OE1-NH1 2.9Å; E1097-R1153 IonicContact OE1-NH2 2.69Å; E1097-R1153 PolarHBondContact OE1-NH2 2.92Å; E1097-R1153 IonicContact OE2-CZ 2.67Å; E1097-R1153 IonicContact OE2-NH1 2.65Å; E1097-R1153 PolarHBondContact OE2-NH1 3.32Å; E1097-R1153 IonicContact OE2-NH2 2.75Å; E1097-R1153 PolarHBondContact OE2-NH2 2.96Å
1098	K	82.5	Confident	84.3	Confident	79 Å²	79	77.4 Å²	77.4	34%	0.343	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-40.6	173.8	-70.5	-178.3	-169.3	-170.4	0	112.1	C1094 E1095 K1096 K1102 E1147	C1094-K1098 WeakPolarHBondContact O-CG 3.44Å; C1094-K1098 PolarHBondContact O-N 3.17Å; C1094-K1098 VanDerWaalsContact O-N 3.08Å; E1095-K1098 PolarHBondContact O-N 3.05Å; K1096-K1098 PolarHBondContact O-N 3.39Å; K1098-K1102 WeakPolarHBondContact O-CB 3.41Å; K1098-K1102 PolarHBondContact O-N 3.02Å; K1098-E1147 WeakPolarHBondContact CE-OE1 3.47Å; K1098-E1147 IonicContact NZ-OE1 2.64Å; K1098-E1147 PolarHBondContact NZ-OE1 3.07Å
1099	K	84	Confident	83.9	Confident	113 Å²	113	74.2 Å²	74.2	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-64.5	-38.8	176.9	-69.6	160.4	-168.4	167.2	0	111.7	E1095 K1096 E1097 K1103	E1095-K1099 WeakPolarHBondContact O-CD 3.5Å; E1095-K1099 VanDerWaalsContact O-CG 3.25Å; E1095-K1099 WeakPolarHBondContact O-CG 3.14Å; E1095-K1099 PolarHBondContact O-N 3.49Å; E1095-K1099 IonicContact OE2-NZ 3.93Å; E1095-K1099 PolarHBondContact OE2-NZ 2.67Å; K1096-K1099 WeakPolarHBondContact O-CB 3.27Å; K1096-K1099 PolarHBondContact O-N 2.92Å; E1097-K1099 PolarHBondContact O-N 2.99Å; K1099-K1103 WeakPolarHBondContact O-CG 3.33Å; K1099-K1103 PolarHBondContact O-N 2.88Å
1100	D	84.3	Confident	83.3	Confident	49 Å²	49	72.2 Å²	72.2	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-81.4	-32	-179.6	-70.3	-25.7	0	0	0	113.2	K1096 E1097 K1103 K1104	K1096-D1100 PolarHBondContact O-N 3.04Å; E1097-D1100 PolarHBondContact O-N 3.1Å; D1100-K1103 PolarHBondContact O-N 3.32Å; D1100-K1103 WeakPolarHBondContact OD1-CD 3.04Å; D1100-K1103 WeakPolarHBondContact OD1-CE 3.38Å; D1100-K1103 IonicContact OD1-NZ 2.61Å; D1100-K1103 PolarHBondContact OD1-NZ 2.85Å; D1100-K1104 PolarHBondContact O-N 2.77Å
1101	L	83.9	Confident	82.9	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-57.6	-48.6	165.8	-176.5	85.3	0	0	0	110.6	I934 E1097 K1103 K1104 M1105 I1143 M1146	I934-L1101 HydrophobicContact CG2-CD1 3.94Å; E1097-L1101 WeakPolarHBondContact O-CB 3.14Å; E1097-L1101 PolarHBondContact O-N 3.35Å; L1101-K1103 VanDerWaalsContact C-N 3.34Å; L1101-K1103 PolarHBondContact O-N 2.88Å; L1101-K1104 WeakPolarHBondContact O-CB 3.47Å; L1101-K1104 PolarHBondContact O-N 3.33Å; L1101-K1104 VanDerWaalsContact O-N 3.13Å; L1101-M1105 HydrophobicContact CG-CG 4.49Å; L1101-M1105 WeakPolarHBondContact O-CG 3.26Å; L1101-M1105 PolarHBondContact O-N 3.08Å; L1101-I1143 HydrophobicContact CD2-CG1 3.98Å; L1101-M1146 HydrophobicContact CD1-CG 3.99Å; L1101-M1146 HydrophobicContact CD1-SD 4.46Å; L1101-M1146 HydrophobicContact CD2-CB 4.48Å; L1101-M1146 HydrophobicContact CD2-CG 3.73Å; L1101-M1146 HydrophobicContact CG-CG 4.32Å
1102	K	79.4	Confident	82.4	Confident	122 Å²	122	74.5 Å²	74.5	53%	0.53	34%	0.34	S	S	.	.	H	α-helix	trans	-58.2	-45.1	-179.8	-175	171.3	180	178.1	0	111.5	K1098 K1104 M1105 D1106	K1098-K1102 WeakPolarHBondContact O-CB 3.41Å; K1098-K1102 PolarHBondContact O-N 3.02Å; K1102-K1104 PolarHBondContact O-N 3.11Å; K1102-M1105 PolarHBondContact O-N 3.23Å; K1102-D1106 WeakPolarHBondContact CG-OD2 3.43Å; K1102-D1106 WeakPolarHBondContact O-CB 3.42Å; K1102-D1106 PolarHBondContact O-N 3Å
1103	K	84.2	Confident	81.6	Confident	134 Å²	134	71.1 Å²	71.1	58%	0.583	32%	0.321	S	S	*	.	H	α-helix	trans	-58.3	-45.4	173.5	-66.5	168.7	-164.3	164.9	0	112.8	K1099 D1100 L1101 M1105 K1107	K1099-K1103 WeakPolarHBondContact O-CG 3.33Å; K1099-K1103 PolarHBondContact O-N 2.88Å; D1100-K1103 PolarHBondContact O-N 3.32Å; D1100-K1103 WeakPolarHBondContact OD1-CD 3.04Å; D1100-K1103 WeakPolarHBondContact OD1-CE 3.38Å; D1100-K1103 IonicContact OD1-NZ 2.61Å; D1100-K1103 PolarHBondContact OD1-NZ 2.85Å; L1101-K1103 VanDerWaalsContact C-N 3.34Å; L1101-K1103 PolarHBondContact O-N 2.88Å; K1103-M1105 VanDerWaalsContact C-N 3.31Å; K1103-M1105 PolarHBondContact O-N 3.35Å; K1103-K1107 WeakPolarHBondContact O-CB 3.5Å; K1103-K1107 PolarHBondContact O-N 3.33Å; K1103-K1107 VanDerWaalsContact O-N 3.1Å
1104	K	81.6	Confident	80.9	Confident	86 Å²	86	73.6 Å²	73.6	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-59.6	-42.4	176.7	-76.2	-179.5	175.7	177.1	0	111	I934 S937 V938 D1100 L1101 K1102 K1108	I934-K1104 HydrophobicContact CG2-CD 3.98Å; S937-K1104 PolarHBondContact O-NZ 3.23Å; S937-K1104 PolarHBondContact OG-NZ 3.33Å; V938-K1104 HydrophobicContact CG2-CD 4.08Å; D1100-K1104 PolarHBondContact O-N 2.77Å; L1101-K1104 WeakPolarHBondContact O-CB 3.47Å; L1101-K1104 PolarHBondContact O-N 3.33Å; L1101-K1104 VanDerWaalsContact O-N 3.13Å; K1102-K1104 PolarHBondContact O-N 3.11Å; K1104-K1108 PolarHBondContact O-N 3.39Å
1105	M	80.6	Confident	80.4	Confident	1 Å²	1	78.5 Å²	78.5	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-71.2	-45	178.6	-69.2	-60.7	-72.1	0	0	113	I934 L1101 K1102 K1103 K1107 K1108 R1109 F1135 E1138 V1139 Y1142	I934-M1105 HydrophobicContact CD1-SD 4.47Å; L1101-M1105 HydrophobicContact CG-CG 4.49Å; L1101-M1105 WeakPolarHBondContact O-CG 3.26Å; L1101-M1105 PolarHBondContact O-N 3.08Å; K1102-M1105 PolarHBondContact O-N 3.23Å; K1103-M1105 VanDerWaalsContact C-N 3.31Å; K1103-M1105 PolarHBondContact O-N 3.35Å; M1105-K1107 VanDerWaalsContact C-N 3.26Å; M1105-K1107 PolarHBondContact O-N 3.15Å; M1105-K1108 CarbonylContact O-C 3.49Å; M1105-K1108 WeakPolarHBondContact O-CA 3.37Å; M1105-K1108 WeakPolarHBondContact O-CB 3.41Å; M1105-K1108 PolarHBondContact O-N 3.25Å; M1105-K1108 HydrophobicContact SD-CD 4.2Å; M1105-R1109 PolarHBondContact O-N 3.26Å; M1105-F1135 HydrophobicContact CB-CE2 3.95Å; M1105-F1135 HydrophobicContact CB-CZ 4Å; M1105-F1135 HydrophobicContact CE-CE2 4.15Å; M1105-F1135 WeakPolarHBondContact O-CE2 3.39Å; M1105-F1135 WeakPolarHBondContact O-CZ 3.31Å; M1105-E1138 HydrophobicContact CE-CB 4.27Å; M1105-E1138 HydrophobicContact CE-CG 3.83Å; M1105-V1139 HydrophobicContact CB-CG2 3.9Å; M1105-V1139 HydrophobicContact CE-CG2 3.86Å; M1105-V1139 HydrophobicContact CG-CG2 4.29Å; M1105-Y1142 HydrophobicContact CE-CD2 3.69Å; M1105-Y1142 HydrophobicContact CE-CE2 4.21Å; M1105-Y1142 HydrophobicContact SD-CD2 4.06Å; M1105-Y1142 HydrophobicContact SD-CE2 4.45Å
1106	D	78.2	Confident	79.6	Confident	66 Å²	66	74.3 Å²	74.3	35%	0.353	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-36.1	178.2	-74.1	-31.2	0	0	0	111.5	K1102 R1109 Q1110	K1102-D1106 WeakPolarHBondContact CG-OD2 3.43Å; K1102-D1106 WeakPolarHBondContact O-CB 3.42Å; K1102-D1106 PolarHBondContact O-N 3Å; D1106-R1109 PolarHBondContact O-N 2.96Å; D1106-Q1110 PolarHBondContact O-N 3.29Å
1107	K	82.9	Confident	78.7	Confident	128 Å²	128	73.3 Å²	73.3	56%	0.557	34%	0.336	S	S	*	.	H	α-helix	trans	-61.8	-48.7	170.1	-174.5	175.6	-177.9	-79.5	0	111.8	K1103 M1105 R1109 Q1110 E1111	K1103-K1107 WeakPolarHBondContact O-CB 3.5Å; K1103-K1107 PolarHBondContact O-N 3.33Å; K1103-K1107 VanDerWaalsContact O-N 3.1Å; M1105-K1107 VanDerWaalsContact C-N 3.26Å; M1105-K1107 PolarHBondContact O-N 3.15Å; K1107-R1109 VanDerWaalsContact C-N 3.28Å; K1107-R1109 PolarHBondContact O-N 2.82Å; K1107-Q1110 PolarHBondContact O-N 2.96Å; K1107-E1111 WeakPolarHBondContact CE-OE1 3.48Å; K1107-E1111 IonicContact NZ-OE1 2.73Å; K1107-E1111 PolarHBondContact NZ-OE1 3.44Å; K1107-E1111 WeakPolarHBondContact O-CG 3.43Å; K1107-E1111 PolarHBondContact O-N 3.26Å
1108	K	79.3	Confident	77.9	Confident	60 Å²	60	77.2 Å²	77.2	26%	0.261	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-35.1	177.1	-165.1	-172.5	-173.7	-169.4	0	112.4	K1104 M1105 K1112 E1138	K1104-K1108 PolarHBondContact O-N 3.39Å; M1105-K1108 CarbonylContact O-C 3.49Å; M1105-K1108 WeakPolarHBondContact O-CA 3.37Å; M1105-K1108 WeakPolarHBondContact O-CB 3.41Å; M1105-K1108 PolarHBondContact O-N 3.25Å; M1105-K1108 HydrophobicContact SD-CD 4.2Å; K1108-K1112 WeakPolarHBondContact O-CG 3.27Å; K1108-K1112 PolarHBondContact O-N 3.1Å; K1108-E1138 IonicContact NZ-OE1 3.87Å; K1108-E1138 PolarHBondContact NZ-OE1 2.95Å
1109	R	78.8	Confident	77.1	Confident	73 Å²	73	81.3 Å²	81.3	28%	0.275	39%	0.387	S	S	.	.	H	α-helix	trans	-65.6	-47.7	170.2	167.9	168.4	171.7	-83.1	0.9	112	M1105 D1106 K1107 E1111 K1112 I1113 N1132 F1135	M1105-R1109 PolarHBondContact O-N 3.26Å; D1106-R1109 PolarHBondContact O-N 2.96Å; K1107-R1109 VanDerWaalsContact C-N 3.28Å; K1107-R1109 PolarHBondContact O-N 2.82Å; R1109-E1111 PolarHBondContact O-N 3.18Å; R1109-K1112 PolarHBondContact O-N 3.05Å; R1109-I1113 HydrophobicContact CG-CD1 3.63Å; R1109-I1113 HydrophobicContact CG-CG1 4.3Å; R1109-I1113 WeakPolarHBondContact O-CB 3.38Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.15Å; R1109-I1113 PolarHBondContact O-N 2.69Å; R1109-N1132 VanDerWaalsContact CZ-OD1 3.27Å; R1109-N1132 PolarHBondContact NE-OD1 3.32Å; R1109-N1132 PolarHBondContact NH2-OD1 3.01Å; R1109-F1135 HydrophobicContact CB-CD1 4.2Å; R1109-F1135 HydrophobicContact CB-CD2 3.67Å; R1109-F1135 HydrophobicContact CB-CE1 4.06Å; R1109-F1135 HydrophobicContact CB-CE2 3.55Å; R1109-F1135 HydrophobicContact CB-CG 3.96Å; R1109-F1135 HydrophobicContact CB-CZ 3.72Å; R1109-F1135 HydrophobicContact CG-CD1 4.27Å; R1109-F1135 HydrophobicContact CG-CD2 4.41Å; R1109-F1135 HydrophobicContact CG-CE1 4.42Å; R1109-F1135 HydrophobicContact CG-CG 4.21Å
1110	Q	76.4	Confident	76.3	Confident	85 Å²	85	80.1 Å²	80.1	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-63.2	-35.9	-179	-166.8	58.9	60.1	0	0	111.4	D1106 K1107 N1114	D1106-Q1110 PolarHBondContact O-N 3.29Å; K1107-Q1110 PolarHBondContact O-N 2.96Å; Q1110-N1114 PolarHBondContact NE2-OD1 3.47Å; Q1110-N1114 VanDerWaalsContact O-CB 3.3Å; Q1110-N1114 WeakPolarHBondContact O-CB 3.46Å; Q1110-N1114 PolarHBondContact O-N 3.32Å; Q1110-N1114 PolarHBondContact O-ND2 2.96Å; Q1110-N1114 PolarHBondContact O-OD1 2.81Å
1111	E	80	Confident	75.2	Confident	89 Å²	89	87.1 Å²	87.1	42%	0.416	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-52.6	172	-71.3	164.3	167.2	0	0	111.6	K1107 R1109 I1113 N1114 E1115	K1107-E1111 WeakPolarHBondContact CE-OE1 3.48Å; K1107-E1111 IonicContact NZ-OE1 2.73Å; K1107-E1111 PolarHBondContact NZ-OE1 3.44Å; K1107-E1111 WeakPolarHBondContact O-CG 3.43Å; K1107-E1111 PolarHBondContact O-N 3.26Å; R1109-E1111 PolarHBondContact O-N 3.18Å; E1111-I1113 VanDerWaalsContact C-N 3.33Å; E1111-I1113 PolarHBondContact O-N 3.08Å; E1111-N1114 PolarHBondContact O-N 3.31Å; E1111-N1114 VanDerWaalsContact O-N 3.15Å; E1111-E1115 PolarHBondContact O-N 3.16Å
1112	K	74.6	Confident	74.1	Confident	86 Å²	86	93.8 Å²	93.8	37%	0.374	45%	0.449	S	S	.	.	H	α-helix	trans	-54.6	-44	174.3	-77.3	179.7	173.9	-174.6	0	113	K1108 R1109 E1115 A1116 E1138	K1108-K1112 WeakPolarHBondContact O-CG 3.27Å; K1108-K1112 PolarHBondContact O-N 3.1Å; R1109-K1112 PolarHBondContact O-N 3.05Å; K1112-E1115 PolarHBondContact O-N 2.92Å; K1112-A1116 PolarHBondContact O-N 3.45Å; K1112-E1138 IonicContact NZ-OE1 3.96Å; K1112-E1138 IonicContact NZ-OE2 2.65Å; K1112-E1138 PolarHBondContact NZ-OE2 3.25Å
1113	I	70	Confident	73.1	Confident	23 Å²	23	88.9 Å²	88.9	12%	0.118	43%	0.429	C	S	.	.	H	α-helix	trans	-68.1	-37.4	179.3	-71.5	173.8	0	0	0	111.4	R1109 E1111 A1116 K1117 I1131	R1109-I1113 HydrophobicContact CG-CD1 3.63Å; R1109-I1113 HydrophobicContact CG-CG1 4.3Å; R1109-I1113 WeakPolarHBondContact O-CB 3.38Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.15Å; R1109-I1113 PolarHBondContact O-N 2.69Å; E1111-I1113 VanDerWaalsContact C-N 3.33Å; E1111-I1113 PolarHBondContact O-N 3.08Å; I1113-A1116 PolarHBondContact O-N 3.45Å; I1113-K1117 HydrophobicContact CG2-CD 4.28Å; I1113-K1117 WeakPolarHBondContact O-CG 3.4Å; I1113-K1117 PolarHBondContact O-N 2.95Å; I1113-I1131 HydrophobicContact CG1-CG2 3.93Å
1114	N	73.6	Confident	72	Confident	85 Å²	85	85.6 Å²	85.6	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-70	-38.4	177	-69.9	-4.6	0	0	0	111.6	Q1110 E1111 K1117 A1118	Q1110-N1114 PolarHBondContact NE2-OD1 3.47Å; Q1110-N1114 VanDerWaalsContact O-CB 3.3Å; Q1110-N1114 WeakPolarHBondContact O-CB 3.46Å; Q1110-N1114 PolarHBondContact O-N 3.32Å; Q1110-N1114 PolarHBondContact O-ND2 2.96Å; Q1110-N1114 PolarHBondContact O-OD1 2.81Å; E1111-N1114 PolarHBondContact O-N 3.31Å; E1111-N1114 VanDerWaalsContact O-N 3.15Å; N1114-K1117 PolarHBondContact O-N 3.36Å; N1114-A1118 PolarHBondContact O-N 2.92Å
1115	E	75.9	Confident	71	Confident	118 Å²	118	87.5 Å²	87.5	55%	0.551	43%	0.43	S	S	*	.	H	α-helix	trans	-62.8	-41.7	171.9	-76.4	-164.4	-179.2	0	0	112.6	E1111 K1112 A1118 K1119	E1111-E1115 PolarHBondContact O-N 3.16Å; K1112-E1115 PolarHBondContact O-N 2.92Å; E1115-A1118 PolarHBondContact O-N 3.16Å; E1115-K1119 WeakPolarHBondContact O-CG 3.31Å; E1115-K1119 PolarHBondContact O-N 2.75Å; E1115-K1119 IonicContact OE2-NZ 3.5Å; E1115-K1119 PolarHBondContact OE2-NZ 3.17Å
1116	A	67.8	Low	70.1	Confident	21 Å²	21	95 Å²	95	17%	0.174	47%	0.465	C	S	.	.	H	α-helix	trans	-62	-45.7	177.1	0	0	0	0	0	110.8	K1112 I1113 A1118 K1119 D1120 L1123 I1131	K1112-A1116 PolarHBondContact O-N 3.45Å; I1113-A1116 PolarHBondContact O-N 3.45Å; A1116-A1118 PolarHBondContact O-N 2.88Å; A1116-K1119 PolarHBondContact O-N 3.26Å; A1116-D1120 PolarHBondContact O-N 3.37Å; A1116-L1123 HydrophobicContact CB-CD1 3.77Å; A1116-I1131 HydrophobicContact CB-CD1 4.05Å
1117	K	67.6	Low	69.5	Low	114 Å²	114	96 Å²	96	50%	0.496	47%	0.468	S	S	.	.	H	α-helix	trans	-64.4	-18.2	174.5	-73.1	177.9	177.2	-172.7	0	114.8	I1113 N1114 D1120 L1123	I1113-K1117 HydrophobicContact CG2-CD 4.28Å; I1113-K1117 WeakPolarHBondContact O-CG 3.4Å; I1113-K1117 PolarHBondContact O-N 2.95Å; N1114-K1117 PolarHBondContact O-N 3.36Å; K1117-D1120 CarbonylContact C-O 3.52Å; K1117-D1120 WeakPolarHBondContact CA-O 3.4Å; K1117-L1123 HydrophobicContact CB-CD1 4.34Å; K1117-L1123 HydrophobicContact CG-CD1 3.66Å
1118	A	69.6	Low	68.6	Low	87 Å²	87	92.7 Å²	92.7	72%	0.719	45%	0.454	S	S	*	.	H	α-helix	trans	-85.5	-22	173.4	0	0	0	0	0	112.6	N1114 E1115 A1116	N1114-A1118 PolarHBondContact O-N 2.92Å; E1115-A1118 PolarHBondContact O-N 3.16Å; A1116-A1118 PolarHBondContact O-N 2.88Å
1119	K	67	Low	68	Low	166 Å²	166	94.4 Å²	94.4	72%	0.722	47%	0.465	S	S	*	.	H	α-helix	trans	-89.6	-40.1	179.1	-70.5	165.7	-176.4	161.1	0	112.1	E1115 A1116	E1115-K1119 WeakPolarHBondContact O-CG 3.31Å; E1115-K1119 PolarHBondContact O-N 2.75Å; E1115-K1119 IonicContact OE2-NZ 3.5Å; E1115-K1119 PolarHBondContact OE2-NZ 3.17Å; A1116-K1119 PolarHBondContact O-N 3.26Å
1120	D	65.9	Low	67.7	Low	87 Å²	87	96.6 Å²	96.6	47%	0.465	48%	0.479	S	S	.	.			trans	-131.6	135.7	166.6	-159.6	-34.3	0	0	0	110.9	A1116 K1117 N1122	A1116-D1120 PolarHBondContact O-N 3.37Å; K1117-D1120 CarbonylContact C-O 3.52Å; K1117-D1120 WeakPolarHBondContact CA-O 3.4Å; D1120-N1122 PolarHBondContact OD1-N 3.46Å
1121	K	61.3	Low	67.3	Low	196 Å²	196	95 Å²	95	85%	0.852	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-22.5	178.3	-67.5	-179.1	177.5	176.9	0	112.8
1122	N	61.3	Low	66.7	Low	142 Å²	142	93 Å²	93	76%	0.759	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	31.6	-177.3	-75.8	-2.3	0	0	0	112.8	D1120 T1124	D1120-N1122 PolarHBondContact OD1-N 3.46Å; N1122-T1124 PolarHBondContact O-N 2.86Å
1123	L	59.3	Low	66.6	Low	19 Å²	19	96.4 Å²	96.4	10%	0.099	48%	0.475	C	S	.	.			trans	-36.6	123.1	170.8	-100.5	167.4	0	0	0	112.1	A1116 K1117 E1127 K1128	A1116-L1123 HydrophobicContact CB-CD1 3.77Å; K1117-L1123 HydrophobicContact CB-CD1 4.34Å; K1117-L1123 HydrophobicContact CG-CD1 3.66Å; L1123-E1127 HydrophobicContact CD2-CB 3.7Å; L1123-E1127 HydrophobicContact CD2-CG 4.4Å; L1123-K1128 VanDerWaalsContact O-CE 3.25Å; L1123-K1128 WeakPolarHBondContact O-CE 3.39Å; L1123-K1128 PolarHBondContact O-NZ 2.95Å
1124	T	61.4	Low	66.8	Low	66 Å²	66	98.5 Å²	98.5	41%	0.405	49%	0.492	S	S	.	.			trans	-70	164.5	-179.7	64.3	0	0	0	0	111.5	N1122 E1126 E1127 K1128	N1122-T1124 PolarHBondContact O-N 2.86Å; T1124-E1126 VanDerWaalsContact C-N 3.33Å; T1124-E1127 WeakPolarHBondContact CB-OE2 3.13Å; T1124-E1127 WeakPolarHBondContact CG2-OE2 3.45Å; T1124-E1127 PolarHBondContact N-OE2 2.62Å; T1124-E1127 VanDerWaalsContact OG1-CG 3.28Å; T1124-E1127 WeakPolarHBondContact OG1-CG 3.08Å; T1124-E1127 PolarHBondContact OG1-N 3.44Å; T1124-E1127 PolarHBondContact OG1-OE2 3.22Å; T1124-K1128 WeakPolarHBondContact O-CD 3.18Å; T1124-K1128 WeakPolarHBondContact O-CG 3.2Å; T1124-K1128 PolarHBondContact O-N 3.42Å
1125	E	60	Low	67	Low	125 Å²	125	95.4 Å²	95.4	58%	0.584	47%	0.474	S	S	*	.	H	α-helix	trans	-70.2	-30.2	173.4	-71.1	-56.2	131	0	0	112.3	K1128 L1129	E1125-K1128 PolarHBondContact O-N 3.02Å; E1125-K1128 WeakPolarHBondContact OE1-CD 2.99Å; E1125-K1128 IonicContact OE1-NZ 2.63Å; E1125-K1128 PolarHBondContact OE1-NZ 3.27Å; E1125-L1129 WeakPolarHBondContact O-CB 3.32Å; E1125-L1129 VanDerWaalsContact O-CG 3.27Å; E1125-L1129 WeakPolarHBondContact O-CG 3.46Å; E1125-L1129 PolarHBondContact O-N 3.36Å
1126	E	62.4	Low	66.7	Low	159 Å²	159	93.6 Å²	93.6	74%	0.743	47%	0.471	S	S	*	.	H	α-helix	trans	-64.5	-45.3	176	-68	-171.7	117.1	0	0	111.9	T1124 K1128 L1129 E1130	T1124-E1126 VanDerWaalsContact C-N 3.33Å; E1126-K1128 VanDerWaalsContact C-N 3.31Å; E1126-K1128 PolarHBondContact O-N 3.46Å; E1126-L1129 CarbonylContact O-C 3.46Å; E1126-L1129 WeakPolarHBondContact O-CB 3.22Å; E1126-L1129 PolarHBondContact O-N 3.03Å; E1126-L1129 VanDerWaalsContact O-N 3.1Å; E1126-E1130 WeakPolarHBondContact O-CB 3.45Å; E1126-E1130 PolarHBondContact O-N 3.39Å
1127	E	64.9	Low	67	Low	87 Å²	87	97.2 Å²	97.2	41%	0.407	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-36.4	176.3	-68.7	165	109	0	0	112.6	L1123 T1124 E1130 I1131	L1123-E1127 HydrophobicContact CD2-CB 3.7Å; L1123-E1127 HydrophobicContact CD2-CG 4.4Å; T1124-E1127 WeakPolarHBondContact CB-OE2 3.13Å; T1124-E1127 WeakPolarHBondContact CG2-OE2 3.45Å; T1124-E1127 PolarHBondContact N-OE2 2.62Å; T1124-E1127 VanDerWaalsContact OG1-CG 3.28Å; T1124-E1127 WeakPolarHBondContact OG1-CG 3.08Å; T1124-E1127 PolarHBondContact OG1-N 3.44Å; T1124-E1127 PolarHBondContact OG1-OE2 3.22Å; E1127-E1130 PolarHBondContact O-N 2.93Å; E1127-I1131 WeakPolarHBondContact O-CB 3.34Å; E1127-I1131 VanDerWaalsContact O-CG1 3.28Å; E1127-I1131 WeakPolarHBondContact O-CG1 3.37Å; E1127-I1131 PolarHBondContact O-N 3.16Å
1128	K	63.5	Low	67.5	Low	59 Å²	59	93.6 Å²	93.6	26%	0.257	47%	0.472	S	S	.	.	H	α-helix	trans	-65.6	-41.1	173.5	-66.3	164.4	-165.5	138.8	0	110.9	L1123 T1124 E1125 E1126 N1132	L1123-K1128 VanDerWaalsContact O-CE 3.25Å; L1123-K1128 WeakPolarHBondContact O-CE 3.39Å; L1123-K1128 PolarHBondContact O-NZ 2.95Å; T1124-K1128 WeakPolarHBondContact O-CD 3.18Å; T1124-K1128 WeakPolarHBondContact O-CG 3.2Å; T1124-K1128 PolarHBondContact O-N 3.42Å; E1125-K1128 PolarHBondContact O-N 3.02Å; E1125-K1128 WeakPolarHBondContact OE1-CD 2.99Å; E1125-K1128 IonicContact OE1-NZ 2.63Å; E1125-K1128 PolarHBondContact OE1-NZ 3.27Å; E1126-K1128 VanDerWaalsContact C-N 3.31Å; E1126-K1128 PolarHBondContact O-N 3.46Å; K1128-N1132 WeakPolarHBondContact O-CB 3.17Å; K1128-N1132 PolarHBondContact O-N 3.22Å; K1128-N1132 PolarHBondContact O-ND2 2.95Å
1129	L	66.1	Low	67.9	Low	96 Å²	96	90.5 Å²	90.5	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-66	-39.6	175.6	-72.8	166.1	0	0	0	111.7	E1125 E1126 N1132 R1133	E1125-L1129 WeakPolarHBondContact O-CB 3.32Å; E1125-L1129 VanDerWaalsContact O-CG 3.27Å; E1125-L1129 WeakPolarHBondContact O-CG 3.46Å; E1125-L1129 PolarHBondContact O-N 3.36Å; E1126-L1129 CarbonylContact O-C 3.46Å; E1126-L1129 WeakPolarHBondContact O-CB 3.22Å; E1126-L1129 PolarHBondContact O-N 3.03Å; E1126-L1129 VanDerWaalsContact O-N 3.1Å; L1129-N1132 PolarHBondContact O-N 2.94Å; L1129-R1133 VanDerWaalsContact O-CB 3.3Å; L1129-R1133 WeakPolarHBondContact O-CB 3.3Å; L1129-R1133 PolarHBondContact O-N 3.38Å
1130	E	72.8	Confident	68.3	Low	119 Å²	119	86.8 Å²	86.8	56%	0.556	44%	0.435	S	S	*	.	H	α-helix	trans	-61.2	-50.6	175	-163.1	62.1	-119.1	0	0	111.3	E1126 E1127 N1132 R1133 S1134	E1126-E1130 WeakPolarHBondContact O-CB 3.45Å; E1126-E1130 PolarHBondContact O-N 3.39Å; E1127-E1130 PolarHBondContact O-N 2.93Å; E1130-N1132 VanDerWaalsContact C-N 3.3Å; E1130-N1132 PolarHBondContact O-N 3.39Å; E1130-R1133 PolarHBondContact O-N 3.42Å; E1130-S1134 WeakPolarHBondContact O-CB 3.36Å; E1130-S1134 PolarHBondContact O-N 3.11Å
1131	I	69.1	Low	68.9	Low	50 Å²	50	88.2 Å²	88.2	26%	0.256	44%	0.439	S	S	.	.	H	α-helix	trans	-60.7	-39.4	176.2	-68.4	166.7	0	0	0	111.2	I1113 A1116 E1127 F1135	I1113-I1131 HydrophobicContact CG1-CG2 3.93Å; A1116-I1131 HydrophobicContact CB-CD1 4.05Å; E1127-I1131 WeakPolarHBondContact O-CB 3.34Å; E1127-I1131 VanDerWaalsContact O-CG1 3.28Å; E1127-I1131 WeakPolarHBondContact O-CG1 3.37Å; E1127-I1131 PolarHBondContact O-N 3.16Å; I1131-F1135 WeakPolarHBondContact O-CB 3.5Å; I1131-F1135 PolarHBondContact O-N 2.69Å
1132	N	67.8	Low	69.9	Low	47 Å²	47	80.4 Å²	80.4	25%	0.251	40%	0.404	S	S	.	.	H	α-helix	trans	-67	-43.1	175.7	-72.8	-35.1	0	0	0	112.2	R1109 K1128 L1129 E1130 F1135 V1136	R1109-N1132 VanDerWaalsContact CZ-OD1 3.27Å; R1109-N1132 PolarHBondContact NE-OD1 3.32Å; R1109-N1132 PolarHBondContact NH2-OD1 3.01Å; K1128-N1132 WeakPolarHBondContact O-CB 3.17Å; K1128-N1132 PolarHBondContact O-N 3.22Å; K1128-N1132 PolarHBondContact O-ND2 2.95Å; L1129-N1132 PolarHBondContact O-N 2.94Å; E1130-N1132 VanDerWaalsContact C-N 3.3Å; E1130-N1132 PolarHBondContact O-N 3.39Å; N1132-F1135 PolarHBondContact O-N 2.69Å; N1132-V1136 WeakPolarHBondContact O-CG2 3.08Å; N1132-V1136 PolarHBondContact O-N 3.03Å
1133	R	72.2	Confident	70.7	Confident	159 Å²	159	76.3 Å²	76.3	60%	0.6	38%	0.382	S	S	*	.	H	α-helix	trans	-64.7	-43.6	178.8	-159.9	-171.8	-54.2	-101.3	6.1	111	L1129 E1130 V1136 N1137	L1129-R1133 VanDerWaalsContact O-CB 3.3Å; L1129-R1133 WeakPolarHBondContact O-CB 3.3Å; L1129-R1133 PolarHBondContact O-N 3.38Å; E1130-R1133 PolarHBondContact O-N 3.42Å; R1133-V1136 PolarHBondContact O-N 3.34Å; R1133-N1137 PolarHBondContact O-N 3.14Å
1134	S	74.3	Confident	71.7	Confident	67 Å²	67	81.8 Å²	81.8	47%	0.469	41%	0.405	S	S	.	.	H	α-helix	trans	-58.6	-46.6	171.6	-176	0	0	0	0	112	E1130 N1137 E1138	E1130-S1134 WeakPolarHBondContact O-CB 3.36Å; E1130-S1134 PolarHBondContact O-N 3.11Å; S1134-N1137 PolarHBondContact O-N 2.9Å; S1134-E1138 PolarHBondContact O-N 2.85Å
1135	F	77.4	Confident	72.7	Confident	19 Å²	19	83.8 Å²	83.8	8%	0.083	41%	0.405	C	S	.	.	H	α-helix	trans	-64.2	-42.2	178.3	174.6	-106.9	0	0	0	113.5	M1105 R1109 I1131 N1132 N1137 E1138 V1139	M1105-F1135 HydrophobicContact CB-CE2 3.95Å; M1105-F1135 HydrophobicContact CB-CZ 4Å; M1105-F1135 HydrophobicContact CE-CE2 4.15Å; M1105-F1135 WeakPolarHBondContact O-CE2 3.39Å; M1105-F1135 WeakPolarHBondContact O-CZ 3.31Å; R1109-F1135 HydrophobicContact CB-CD1 4.2Å; R1109-F1135 HydrophobicContact CB-CD2 3.67Å; R1109-F1135 HydrophobicContact CB-CE1 4.06Å; R1109-F1135 HydrophobicContact CB-CE2 3.55Å; R1109-F1135 HydrophobicContact CB-CG 3.96Å; R1109-F1135 HydrophobicContact CB-CZ 3.72Å; R1109-F1135 HydrophobicContact CG-CD1 4.27Å; R1109-F1135 HydrophobicContact CG-CD2 4.41Å; R1109-F1135 HydrophobicContact CG-CE1 4.42Å; R1109-F1135 HydrophobicContact CG-CG 4.21Å; I1131-F1135 WeakPolarHBondContact O-CB 3.5Å; I1131-F1135 PolarHBondContact O-N 2.69Å; N1132-F1135 PolarHBondContact O-N 2.69Å; F1135-N1137 VanDerWaalsContact C-N 3.27Å; F1135-N1137 PolarHBondContact O-N 2.65Å; F1135-E1138 PolarHBondContact O-N 3.47Å; F1135-E1138 VanDerWaalsContact O-N 3.16Å; F1135-V1139 HydrophobicContact CD1-CG2 4.09Å; F1135-V1139 HydrophobicContact CD2-CG2 3.95Å; F1135-V1139 HydrophobicContact CE1-CG2 3.62Å; F1135-V1139 HydrophobicContact CE2-CG2 3.43Å; F1135-V1139 VanDerWaalsContact CE2-CG2 3.43Å; F1135-V1139 HydrophobicContact CG-CG2 4.28Å; F1135-V1139 HydrophobicContact CZ-CG2 3.28Å; F1135-V1139 WeakPolarHBondContact O-CG2 3.49Å; F1135-V1139 PolarHBondContact O-N 2.93Å
1136	V	69.8	Low	73.8	Confident	81 Å²	81	77.8 Å²	77.8	49%	0.491	38%	0.377	S	S	.	.	H	α-helix	trans	-58.7	-43.2	176.4	168.7	0	0	0	0	110.3	N1132 R1133 V1139 V1140	N1132-V1136 WeakPolarHBondContact O-CG2 3.08Å; N1132-V1136 PolarHBondContact O-N 3.03Å; R1133-V1136 PolarHBondContact O-N 3.34Å; V1136-V1139 PolarHBondContact O-N 3.19Å; V1136-V1140 HydrophobicContact CG1-CG2 4.46Å; V1136-V1140 VanDerWaalsContact O-CG2 3.31Å; V1136-V1140 WeakPolarHBondContact O-CG2 3.33Å; V1136-V1140 PolarHBondContact O-N 3.08Å
1137	N	73.8	Confident	74.8	Confident	97 Å²	97	73.7 Å²	73.7	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-41.1	175.3	-67.9	-16.8	0	0	0	112.5	R1133 S1134 F1135 Q1141	R1133-N1137 PolarHBondContact O-N 3.14Å; S1134-N1137 PolarHBondContact O-N 2.9Å; F1135-N1137 VanDerWaalsContact C-N 3.27Å; F1135-N1137 PolarHBondContact O-N 2.65Å; N1137-Q1141 WeakPolarHBondContact O-CG 3.18Å; N1137-Q1141 PolarHBondContact O-N 2.96Å
1138	E	78.5	Confident	75.8	Confident	38 Å²	38	73.2 Å²	73.2	18%	0.178	36%	0.358	C	S	.	.	H	α-helix	trans	-60.8	-45.6	174.8	-161.2	-175.4	161.5	0	0	111.1	M1105 K1108 K1112 S1134 F1135 Q1141 Y1142	M1105-E1138 HydrophobicContact CE-CB 4.27Å; M1105-E1138 HydrophobicContact CE-CG 3.83Å; K1108-E1138 IonicContact NZ-OE1 3.87Å; K1108-E1138 PolarHBondContact NZ-OE1 2.95Å; K1112-E1138 IonicContact NZ-OE1 3.96Å; K1112-E1138 IonicContact NZ-OE2 2.65Å; K1112-E1138 PolarHBondContact NZ-OE2 3.25Å; S1134-E1138 PolarHBondContact O-N 2.85Å; F1135-E1138 PolarHBondContact O-N 3.47Å; F1135-E1138 VanDerWaalsContact O-N 3.16Å; E1138-Q1141 PolarHBondContact O-N 3.36Å; E1138-Y1142 HydrophobicContact CG-CD2 4.12Å; E1138-Y1142 HydrophobicContact CG-CE2 4.04Å; E1138-Y1142 VanDerWaalsContact O-CD2 3.31Å; E1138-Y1142 WeakPolarHBondContact O-CD2 3.19Å; E1138-Y1142 PolarHBondContact O-N 3.43Å; E1138-Y1142 VanDerWaalsContact O-N 3.12Å
1139	V	77.4	Confident	76.8	Confident	22 Å²	22	71.6 Å²	71.6	13%	0.133	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-46.1	178.3	168.7	0	0	0	0	112.2	M1105 F1135 V1136 Q1141 Y1142 I1143	M1105-V1139 HydrophobicContact CB-CG2 3.9Å; M1105-V1139 HydrophobicContact CE-CG2 3.86Å; M1105-V1139 HydrophobicContact CG-CG2 4.29Å; F1135-V1139 HydrophobicContact CD1-CG2 4.09Å; F1135-V1139 HydrophobicContact CD2-CG2 3.95Å; F1135-V1139 HydrophobicContact CE1-CG2 3.62Å; F1135-V1139 HydrophobicContact CE2-CG2 3.43Å; F1135-V1139 VanDerWaalsContact CE2-CG2 3.43Å; F1135-V1139 HydrophobicContact CG-CG2 4.28Å; F1135-V1139 HydrophobicContact CZ-CG2 3.28Å; F1135-V1139 WeakPolarHBondContact O-CG2 3.49Å; F1135-V1139 PolarHBondContact O-N 2.93Å; V1136-V1139 PolarHBondContact O-N 3.19Å; V1139-Q1141 VanDerWaalsContact C-N 3.28Å; V1139-Q1141 PolarHBondContact O-N 3.13Å; V1139-Y1142 PolarHBondContact O-N 3.12Å; V1139-I1143 HydrophobicContact CG1-CD1 3.59Å; V1139-I1143 HydrophobicContact CG1-CG1 4.17Å; V1139-I1143 WeakPolarHBondContact O-CG1 3.28Å; V1139-I1143 PolarHBondContact O-N 2.92Å
1140	V	74.4	Confident	77.8	Confident	88 Å²	88	67.5 Å²	67.5	53%	0.533	33%	0.334	S	S	.	.	H	α-helix	trans	-60.5	-39.7	179.1	168.7	0	0	0	0	111	V1136 K1144	V1136-V1140 HydrophobicContact CG1-CG2 4.46Å; V1136-V1140 VanDerWaalsContact O-CG2 3.31Å; V1136-V1140 WeakPolarHBondContact O-CG2 3.33Å; V1136-V1140 PolarHBondContact O-N 3.08Å; V1140-K1144 WeakPolarHBondContact O-CB 3.41Å; V1140-K1144 PolarHBondContact O-N 2.89Å
1141	Q	80.3	Confident	78.4	Confident	116 Å²	116	65.1 Å²	65.1	54%	0.542	33%	0.33	S	S	.	.	H	α-helix	trans	-66.9	-38.2	175.2	-71	-174.6	17.4	0	0	113.5	N1137 E1138 V1139 R1145	N1137-Q1141 WeakPolarHBondContact O-CG 3.18Å; N1137-Q1141 PolarHBondContact O-N 2.96Å; E1138-Q1141 PolarHBondContact O-N 3.36Å; V1139-Q1141 VanDerWaalsContact C-N 3.28Å; V1139-Q1141 PolarHBondContact O-N 3.13Å; Q1141-R1145 WeakPolarHBondContact O-CG 3.46Å; Q1141-R1145 PolarHBondContact O-N 3.41Å; Q1141-R1145 VanDerWaalsContact O-N 3.16Å
1142	Y	81.3	Confident	79.3	Confident	32 Å²	32	69 Å²	69	13%	0.125	35%	0.345	C	S	.	.	H	α-helix	trans	-73	-35.4	176.7	-87	-70.1	0	0	0	112.7	I934 I935 M1105 E1138 V1139 M1146	I934-Y1142 HydrophobicContact CB-CE1 4.5Å; I934-Y1142 HydrophobicContact CD1-CE1 4.46Å; I935-Y1142 HydrophobicContact CD1-CD1 4.28Å; I935-Y1142 HydrophobicContact CG1-CD1 4.24Å; M1105-Y1142 HydrophobicContact CE-CD2 3.69Å; M1105-Y1142 HydrophobicContact CE-CE2 4.21Å; M1105-Y1142 HydrophobicContact SD-CD2 4.06Å; M1105-Y1142 HydrophobicContact SD-CE2 4.45Å; E1138-Y1142 HydrophobicContact CG-CD2 4.12Å; E1138-Y1142 HydrophobicContact CG-CE2 4.04Å; E1138-Y1142 VanDerWaalsContact O-CD2 3.31Å; E1138-Y1142 WeakPolarHBondContact O-CD2 3.19Å; E1138-Y1142 PolarHBondContact O-N 3.43Å; E1138-Y1142 VanDerWaalsContact O-N 3.12Å; V1139-Y1142 PolarHBondContact O-N 3.12Å; Y1142-M1146 WeakPolarHBondContact O-CB 3.44Å; Y1142-M1146 WeakPolarHBondContact O-CG 3.41Å; Y1142-M1146 PolarHBondContact O-N 3.41Å
1143	I	78.8	Confident	80.2	Confident	56 Å²	56	67.4 Å²	67.4	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-49.1	172.6	-71.1	173.7	0	0	0	110	L1101 V1139 R1145 M1146 E1147	L1101-I1143 HydrophobicContact CD2-CG1 3.98Å; V1139-I1143 HydrophobicContact CG1-CD1 3.59Å; V1139-I1143 HydrophobicContact CG1-CG1 4.17Å; V1139-I1143 WeakPolarHBondContact O-CG1 3.28Å; V1139-I1143 PolarHBondContact O-N 2.92Å; I1143-R1145 PolarHBondContact O-N 3.07Å; I1143-M1146 WeakPolarHBondContact O-CB 3.43Å; I1143-M1146 PolarHBondContact O-N 2.86Å; I1143-M1146 VanDerWaalsContact O-N 3.12Å; I1143-E1147 HydrophobicContact CG2-CG 4.4Å; I1143-E1147 WeakPolarHBondContact O-CG 3.43Å; I1143-E1147 PolarHBondContact O-N 3.03Å
1144	K	79	Confident	81	Confident	134 Å²	134	62.6 Å²	62.6	58%	0.583	32%	0.319	S	S	*	.	H	α-helix	trans	-58.5	-45.5	179.1	-174	171	-178.5	175.4	0	112.2	V1140 M1146 E1147 D1148	V1140-K1144 WeakPolarHBondContact O-CB 3.41Å; V1140-K1144 PolarHBondContact O-N 2.89Å; K1144-M1146 PolarHBondContact O-N 3.15Å; K1144-E1147 WeakPolarHBondContact O-CB 3.5Å; K1144-E1147 PolarHBondContact O-N 2.93Å; K1144-E1147 VanDerWaalsContact O-N 3.11Å; K1144-D1148 PolarHBondContact O-N 3.14Å
1145	R	82.9	Confident	81.6	Confident	108 Å²	108	64.6 Å²	64.6	41%	0.408	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-32.7	176.6	-72.8	-173.4	-108.4	168.9	-9.9	113.6	I935 Q1141 I1143 E1147 A1149	I935-R1145 HydrophobicContact CD1-CB 3.38Å; I935-R1145 HydrophobicContact CD1-CG 4.49Å; Q1141-R1145 WeakPolarHBondContact O-CG 3.46Å; Q1141-R1145 PolarHBondContact O-N 3.41Å; Q1141-R1145 VanDerWaalsContact O-N 3.16Å; I1143-R1145 PolarHBondContact O-N 3.07Å; R1145-E1147 VanDerWaalsContact C-N 3.34Å; R1145-A1149 WeakPolarHBondContact O-CB 3.27Å; R1145-A1149 PolarHBondContact O-N 3.07Å; R1145-A1149 VanDerWaalsContact O-N 3.11Å
1146	M	83.5	Confident	82.1	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.5	-41.5	168.9	-85.1	-65.6	-59.9	0	0	111.2	I935 V938 L939 E1097 L1101 Y1142 I1143 K1144 A1149 Q1150	I935-M1146 HydrophobicContact CB-SD 3.87Å; I935-M1146 HydrophobicContact CG1-CG 4.05Å; I935-M1146 HydrophobicContact CG1-SD 3.94Å; I935-M1146 HydrophobicContact CG2-SD 3.62Å; V938-M1146 HydrophobicContact CG1-CE 4.13Å; L939-M1146 HydrophobicContact CD2-CE 3.97Å; L939-M1146 HydrophobicContact CG-CE 4.38Å; E1097-M1146 HydrophobicContact CB-CE 3.82Å; L1101-M1146 HydrophobicContact CD1-CG 3.99Å; L1101-M1146 HydrophobicContact CD1-SD 4.46Å; L1101-M1146 HydrophobicContact CD2-CB 4.48Å; L1101-M1146 HydrophobicContact CD2-CG 3.73Å; L1101-M1146 HydrophobicContact CG-CG 4.32Å; Y1142-M1146 WeakPolarHBondContact O-CB 3.44Å; Y1142-M1146 WeakPolarHBondContact O-CG 3.41Å; Y1142-M1146 PolarHBondContact O-N 3.41Å; I1143-M1146 WeakPolarHBondContact O-CB 3.43Å; I1143-M1146 PolarHBondContact O-N 2.86Å; I1143-M1146 VanDerWaalsContact O-N 3.12Å; K1144-M1146 PolarHBondContact O-N 3.15Å; M1146-A1149 PolarHBondContact O-N 3.36Å; M1146-Q1150 HydrophobicContact CE-CG 4.49Å; M1146-Q1150 WeakPolarHBondContact O-CB 3.38Å; M1146-Q1150 WeakPolarHBondContact O-CG 3.49Å; M1146-Q1150 PolarHBondContact O-N 3.08Å
1147	E	83.1	Confident	83	Confident	73 Å²	73	66.1 Å²	66.1	34%	0.341	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-46.2	179.1	-72	170.8	154.9	0	0	111.3	K1098 I1143 K1144 R1145 A1149 Q1150 C1151	K1098-E1147 WeakPolarHBondContact CE-OE1 3.47Å; K1098-E1147 IonicContact NZ-OE1 2.64Å; K1098-E1147 PolarHBondContact NZ-OE1 3.07Å; I1143-E1147 HydrophobicContact CG2-CG 4.4Å; I1143-E1147 WeakPolarHBondContact O-CG 3.43Å; I1143-E1147 PolarHBondContact O-N 3.03Å; K1144-E1147 WeakPolarHBondContact O-CB 3.5Å; K1144-E1147 PolarHBondContact O-N 2.93Å; K1144-E1147 VanDerWaalsContact O-N 3.11Å; R1145-E1147 VanDerWaalsContact C-N 3.34Å; E1147-A1149 VanDerWaalsContact C-N 3.26Å; E1147-A1149 PolarHBondContact O-N 3.05Å; E1147-Q1150 PolarHBondContact O-N 3.39Å; E1147-Q1150 VanDerWaalsContact O-N 3.15Å; E1147-C1151 PolarHBondContact O-N 3.03Å; E1147-C1151 PolarHBondContact O-SG 2.66Å
1148	D	84.9	Confident	83.7	Confident	76 Å²	76	65.7 Å²	65.7	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-55.5	-40.3	172.7	-61.5	-35.4	0	0	0	111.7	K1144 K1152	K1144-D1148 PolarHBondContact O-N 3.14Å; D1148-K1152 WeakPolarHBondContact O-CG 3.36Å; D1148-K1152 PolarHBondContact O-N 2.95Å
1149	A	85.5	Confident	84.3	Confident	25 Å²	25	69.7 Å²	69.7	21%	0.207	33%	0.332	C	S	.	.	H	α-helix	trans	-74.9	-35.2	178	0	0	0	0	0	113.3	I935 L939 R1145 M1146 E1147 K1152 R1153	I935-A1149 HydrophobicContact CG2-CB 4.18Å; L939-A1149 HydrophobicContact CD1-CB 3.96Å; R1145-A1149 WeakPolarHBondContact O-CB 3.27Å; R1145-A1149 PolarHBondContact O-N 3.07Å; R1145-A1149 VanDerWaalsContact O-N 3.11Å; M1146-A1149 PolarHBondContact O-N 3.36Å; E1147-A1149 VanDerWaalsContact C-N 3.26Å; E1147-A1149 PolarHBondContact O-N 3.05Å; A1149-K1152 PolarHBondContact O-N 3.05Å; A1149-R1153 PolarHBondContact O-N 3.05Å
1150	Q	87.1	Confident	84.9	Confident	11 Å²	11	73.7 Å²	73.7	5%	0.051	35%	0.347	C	S	.	.	H	α-helix	trans	-67.7	-42.3	175.4	-77.4	176.6	-12.9	0	0	111.4	L939 C1094 E1097 M1146 E1147 R1153 Q1154	L939-Q1150 HydrophobicContact CD2-CG 4.12Å; C1094-Q1150 VanDerWaalsContact CA-NE2 3.31Å; C1094-Q1150 HydrophobicContact CB-CG 4.34Å; C1094-Q1150 PolarHBondContact O-NE2 3.09Å; E1097-Q1150 PolarHBondContact OE2-NE2 2.71Å; M1146-Q1150 HydrophobicContact CE-CG 4.49Å; M1146-Q1150 WeakPolarHBondContact O-CB 3.38Å; M1146-Q1150 WeakPolarHBondContact O-CG 3.49Å; M1146-Q1150 PolarHBondContact O-N 3.08Å; E1147-Q1150 PolarHBondContact O-N 3.39Å; E1147-Q1150 VanDerWaalsContact O-N 3.15Å; Q1150-R1153 PolarHBondContact O-N 2.87Å; Q1150-Q1154 PolarHBondContact O-N 3.47Å
1151	C	85.4	Confident	85.8	Confident	68 Å²	68	69.8 Å²	69.8	46%	0.459	32%	0.324	S	S	.	.	H	α-helix	trans	-57	-53.1	170.8	-73.5	0	0	0	0	111	E1147 R1153 Q1154 E1155	E1147-C1151 PolarHBondContact O-N 3.03Å; E1147-C1151 PolarHBondContact O-SG 2.66Å; C1151-R1153 PolarHBondContact O-N 3.14Å; C1151-R1153 VanDerWaalsContact O-N 3.08Å; C1151-Q1154 WeakPolarHBondContact O-CA 3.47Å; C1151-Q1154 PolarHBondContact O-N 3.29Å; C1151-E1155 WeakPolarHBondContact O-CG 3.31Å; C1151-E1155 PolarHBondContact O-N 3.21Å
1152	K	87.2	Confident	86.3	Confident	131 Å²	131	71.4 Å²	71.4	57%	0.57	33%	0.329	S	S	*	.	H	α-helix	trans	-62.8	-16.2	177.5	-72.4	175.4	-179.8	179.7	0	115.3	D1148 A1149 E1155 R1156	D1148-K1152 WeakPolarHBondContact O-CG 3.36Å; D1148-K1152 PolarHBondContact O-N 2.95Å; A1149-K1152 PolarHBondContact O-N 3.05Å; K1152-E1155 WeakPolarHBondContact CA-OE2 3.39Å; K1152-R1156 WeakPolarHBondContact O-CG 3.27Å; K1152-R1156 PolarHBondContact O-NE 3.06Å; K1152-R1156 PolarHBondContact O-NH2 3.28Å
1153	R	87.6	Confident	86.8	Confident	15 Å²	15	73.8 Å²	73.8	6%	0.057	34%	0.344	C	S	.	.	H	α-helix	trans	-85.5	-40.7	169.2	-175	-177.3	57.6	-155.4	-8.5	111.3	T940 I1090 C1094 E1097 A1149 Q1150 C1151 L1157	T940-R1153 WeakPolarHBondContact O-CD 3.45Å; T940-R1153 PolarHBondContact O-NH1 3.38Å; I1090-R1153 HydrophobicContact CD1-CG 4.11Å; C1094-R1153 PolarHBondContact SG-NH2 3.17Å; E1097-R1153 IonicContact OE1-CZ 2.72Å; E1097-R1153 IonicContact OE1-NH1 2.62Å; E1097-R1153 PolarHBondContact OE1-NH1 2.9Å; E1097-R1153 IonicContact OE1-NH2 2.69Å; E1097-R1153 PolarHBondContact OE1-NH2 2.92Å; E1097-R1153 IonicContact OE2-CZ 2.67Å; E1097-R1153 IonicContact OE2-NH1 2.65Å; E1097-R1153 PolarHBondContact OE2-NH1 3.32Å; E1097-R1153 IonicContact OE2-NH2 2.75Å; E1097-R1153 PolarHBondContact OE2-NH2 2.96Å; A1149-R1153 PolarHBondContact O-N 3.05Å; Q1150-R1153 PolarHBondContact O-N 2.87Å; C1151-R1153 PolarHBondContact O-N 3.14Å; C1151-R1153 VanDerWaalsContact O-N 3.08Å; R1153-L1157 PolarHBondContact O-N 3.29Å
1154	Q	87.8	Confident	87.4	Confident	57 Å²	57	72 Å²	72	27%	0.266	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-43.9	176.8	-163.5	-169	-74.4	0	0	111.4	L1087 Q1150 C1151 L1157 Q1158	L1087-Q1154 HydrophobicContact CD2-CG 4.14Å; Q1150-Q1154 PolarHBondContact O-N 3.47Å; C1151-Q1154 WeakPolarHBondContact O-CA 3.47Å; C1151-Q1154 PolarHBondContact O-N 3.29Å; Q1154-L1157 WeakPolarHBondContact O-CB 3.46Å; Q1154-L1157 PolarHBondContact O-N 3.02Å; Q1154-L1157 VanDerWaalsContact O-N 3.12Å; Q1154-Q1158 HydrophobicContact CG-CG 4.49Å; Q1154-Q1158 WeakPolarHBondContact O-CG 3.36Å; Q1154-Q1158 PolarHBondContact O-N 3.11Å
1155	E	87.9	Confident	87.9	Confident	110 Å²	110	69.7 Å²	69.7	51%	0.514	32%	0.322	S	S	.	.	H	α-helix	trans	-55.1	-53.1	176	-72	158.2	-171.2	0	0	111.4	C1151 K1152 L1157 Q1158 E1159	C1151-E1155 WeakPolarHBondContact O-CG 3.31Å; C1151-E1155 PolarHBondContact O-N 3.21Å; K1152-E1155 WeakPolarHBondContact CA-OE2 3.39Å; E1155-L1157 PolarHBondContact O-N 3.35Å; E1155-Q1158 PolarHBondContact O-N 3.06Å; E1155-Q1158 VanDerWaalsContact O-N 3.09Å; E1155-E1159 WeakPolarHBondContact O-CB 3.3Å; E1155-E1159 PolarHBondContact O-N 3.5Å
1156	R	87.6	Confident	88.3	Confident	126 Å²	126	69.1 Å²	69.1	48%	0.475	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-28.1	176.5	-75.9	-177.4	-71.3	143.8	-0.2	114	E941 K1152 K1160	E941-R1156 IonicContact OE1-NH1 3.52Å; K1152-R1156 WeakPolarHBondContact O-CG 3.27Å; K1152-R1156 PolarHBondContact O-NE 3.06Å; K1152-R1156 PolarHBondContact O-NH2 3.28Å; R1156-K1160 WeakPolarHBondContact O-CG 3.48Å; R1156-K1160 PolarHBondContact O-N 2.95Å
1157	L	89.2	Confident	88.7	Confident	6 Å²	6	74 Å²	74	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-76.4	-41.6	173.7	-178	63	0	0	0	111.1	L942 A944 L1087 I1090 R1153 Q1154 E1155 E1159 K1160 H1161	L942-L1157 HydrophobicContact CD2-CD1 4.26Å; L942-L1157 HydrophobicContact CD2-CD2 3.92Å; A944-L1157 HydrophobicContact CB-CD1 4.05Å; L1087-L1157 HydrophobicContact CD2-CD2 4.39Å; I1090-L1157 HydrophobicContact CD1-CD2 3.91Å; R1153-L1157 PolarHBondContact O-N 3.29Å; Q1154-L1157 WeakPolarHBondContact O-CB 3.46Å; Q1154-L1157 PolarHBondContact O-N 3.02Å; Q1154-L1157 VanDerWaalsContact O-N 3.12Å; E1155-L1157 PolarHBondContact O-N 3.35Å; L1157-E1159 VanDerWaalsContact C-N 3.32Å; L1157-E1159 PolarHBondContact O-N 3.39Å; L1157-K1160 PolarHBondContact O-N 3.08Å; L1157-H1161 WeakPolarHBondContact O-CB 3.47Å; L1157-H1161 PolarHBondContact O-CD2 3.36Å; L1157-H1161 VanDerWaalsContact O-CD2 3.3Å; L1157-H1161 PolarHBondContact O-N 2.79Å
1158	Q	88.9	Confident	89.1	Confident	87 Å²	87	70.6 Å²	70.6	41%	0.407	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-31.8	177.1	-69.4	178.5	-77	0	0	112.4	L1087 Q1154 E1155 H1161 K1162	L1087-Q1158 HydrophobicContact CD1-CG 4.45Å; L1087-Q1158 HydrophobicContact CD2-CG 3.81Å; Q1154-Q1158 HydrophobicContact CG-CG 4.49Å; Q1154-Q1158 WeakPolarHBondContact O-CG 3.36Å; Q1154-Q1158 PolarHBondContact O-N 3.11Å; E1155-Q1158 PolarHBondContact O-N 3.06Å; E1155-Q1158 VanDerWaalsContact O-N 3.09Å; Q1158-H1161 WeakPolarHBondContact O-CB 3.47Å; Q1158-H1161 PolarHBondContact O-N 3.39Å; Q1158-K1162 PolarHBondContact O-N 2.98Å
1159	E	91.1	Very high	89.3	Confident	123 Å²	123	71.3 Å²	71.3	58%	0.575	33%	0.334	S	S	*	.	H	α-helix	trans	-63	-55.3	170.9	-171.6	168.2	-134.1	0	0	110.9	E1155 L1157 H1161 K1162 D1163	E1155-E1159 WeakPolarHBondContact O-CB 3.3Å; E1155-E1159 PolarHBondContact O-N 3.5Å; L1157-E1159 VanDerWaalsContact C-N 3.32Å; L1157-E1159 PolarHBondContact O-N 3.39Å; E1159-H1161 VanDerWaalsContact C-N 3.26Å; E1159-H1161 PolarHBondContact O-N 3.03Å; E1159-K1162 WeakPolarHBondContact O-CA 3.31Å; E1159-K1162 VanDerWaalsContact O-CB 3.29Å; E1159-K1162 WeakPolarHBondContact O-CB 3.43Å; E1159-K1162 PolarHBondContact O-N 3.28Å; E1159-D1163 PolarHBondContact O-N 3.43Å
1160	K	90.1	Very high	89.4	Confident	105 Å²	105	74.2 Å²	74.2	46%	0.457	35%	0.346	S	S	.	.	H	α-helix	trans	-55.1	-40.1	172.7	-71.5	-176.9	175.9	-170.2	0	112.7	A944 R1156 L1157 K1162 D1163 I1164	A944-K1160 HydrophobicContact CB-CB 3.96Å; A944-K1160 HydrophobicContact CB-CD 4.44Å; R1156-K1160 WeakPolarHBondContact O-CG 3.48Å; R1156-K1160 PolarHBondContact O-N 2.95Å; L1157-K1160 PolarHBondContact O-N 3.08Å; K1160-K1162 VanDerWaalsContact C-N 3.29Å; K1160-K1162 PolarHBondContact O-N 3.08Å; K1160-D1163 PolarHBondContact O-N 3.37Å; K1160-I1164 VanDerWaalsContact O-CD1 3.32Å; K1160-I1164 WeakPolarHBondContact O-CD1 3.47Å; K1160-I1164 VanDerWaalsContact O-CG1 3.32Å; K1160-I1164 WeakPolarHBondContact O-CG1 3.37Å; K1160-I1164 PolarHBondContact O-N 2.88Å
1161	H	93.3	Very high	89.5	Confident	7 Å²	7	76.1 Å²	76.1	3%	0.032	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-34.8	175.8	-73	-177.5	0	0	0	113	Q1083 Q1086 L1157 Q1158 E1159 R1165	Q1083-H1161 HydrophobicContact CG-CB 4.06Å; Q1083-H1161 PolarHBondContact NE2-O 3.49Å; Q1086-H1161 PolarHBondContact OE1-NE2 3.38Å; L1157-H1161 WeakPolarHBondContact O-CB 3.47Å; L1157-H1161 PolarHBondContact O-CD2 3.36Å; L1157-H1161 VanDerWaalsContact O-CD2 3.3Å; L1157-H1161 PolarHBondContact O-N 2.79Å; Q1158-H1161 WeakPolarHBondContact O-CB 3.47Å; Q1158-H1161 PolarHBondContact O-N 3.39Å; E1159-H1161 VanDerWaalsContact C-N 3.26Å; E1159-H1161 PolarHBondContact O-N 3.03Å; H1161-R1165 VanDerWaalsContact O-CG 3.31Å; H1161-R1165 WeakPolarHBondContact O-CG 3.28Å; H1161-R1165 PolarHBondContact O-N 2.99Å
1162	K	90.4	Very high	89.6	Confident	149 Å²	149	76.8 Å²	76.8	65%	0.648	35%	0.35	S	S	*	.	H	α-helix	trans	-70.7	-43.5	174.7	-172.9	-170.6	175.1	-167.1	0	111.3	Q1158 E1159 K1160 I1164 R1165 Q1166	Q1158-K1162 PolarHBondContact O-N 2.98Å; E1159-K1162 WeakPolarHBondContact O-CA 3.31Å; E1159-K1162 VanDerWaalsContact O-CB 3.29Å; E1159-K1162 WeakPolarHBondContact O-CB 3.43Å; E1159-K1162 PolarHBondContact O-N 3.28Å; K1160-K1162 VanDerWaalsContact C-N 3.29Å; K1160-K1162 PolarHBondContact O-N 3.08Å; K1162-I1164 PolarHBondContact O-N 3.44Å; K1162-R1165 WeakPolarHBondContact O-CB 3.49Å; K1162-R1165 PolarHBondContact O-N 2.99Å; K1162-Q1166 PolarHBondContact O-N 3.25Å
1163	D	91.4	Very high	89.6	Confident	83 Å²	83	74.3 Å²	74.3	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-44.1	177.8	-60.1	-25.7	0	0	0	111.6	E1159 K1160 R1165 Q1166 Q1167	E1159-D1163 PolarHBondContact O-N 3.43Å; K1160-D1163 PolarHBondContact O-N 3.37Å; D1163-R1165 VanDerWaalsContact C-N 3.33Å; D1163-R1165 PolarHBondContact O-N 3.32Å; D1163-Q1166 PolarHBondContact O-N 3.47Å; D1163-Q1166 VanDerWaalsContact O-N 3.17Å; D1163-Q1167 WeakPolarHBondContact O-CG 3.4Å; D1163-Q1167 PolarHBondContact O-N 3.48Å
1164	I	92.1	Very high	89.7	Confident	17 Å²	17	79.4 Å²	79.4	9%	0.087	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-39.4	175.9	-69.2	156.6	0	0	0	111.5	A944 Q945 V947 L950 K1160 K1162 Q1167 I1168	A944-I1164 HydrophobicContact CB-CD1 3.58Å; Q945-I1164 WeakPolarHBondContact O-CD1 3.5Å; V947-I1164 HydrophobicContact CG2-CG2 4.15Å; L950-I1164 HydrophobicContact CD1-CG2 3.91Å; K1160-I1164 VanDerWaalsContact O-CD1 3.32Å; K1160-I1164 WeakPolarHBondContact O-CD1 3.47Å; K1160-I1164 VanDerWaalsContact O-CG1 3.32Å; K1160-I1164 WeakPolarHBondContact O-CG1 3.37Å; K1160-I1164 PolarHBondContact O-N 2.88Å; K1162-I1164 PolarHBondContact O-N 3.44Å; I1164-Q1167 PolarHBondContact O-N 3.22Å; I1164-I1168 HydrophobicContact CG2-CD1 4.07Å; I1164-I1168 WeakPolarHBondContact O-CD1 3.21Å; I1164-I1168 WeakPolarHBondContact O-CG1 3.33Å; I1164-I1168 PolarHBondContact O-N 2.68Å; I1164-I1168 VanDerWaalsContact O-N 3.13Å
1165	R	89.2	Confident	89.8	Confident	86 Å²	86	79.2 Å²	79.2	33%	0.325	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-41.9	173.9	-74.1	167	-179.9	-111	-5.3	111.6	E1080 Q1083 H1161 K1162 D1163 I1168 L1169	E1080-R1165 IonicContact OE1-CZ 2.66Å; E1080-R1165 IonicContact OE1-NH1 3.63Å; E1080-R1165 PolarHBondContact OE1-NH1 3.39Å; E1080-R1165 IonicContact OE1-NH2 3.52Å; E1080-R1165 PolarHBondContact OE1-NH2 2.96Å; Q1083-R1165 VanDerWaalsContact OE1-NH2 3.07Å; H1161-R1165 VanDerWaalsContact O-CG 3.31Å; H1161-R1165 WeakPolarHBondContact O-CG 3.28Å; H1161-R1165 PolarHBondContact O-N 2.99Å; K1162-R1165 WeakPolarHBondContact O-CB 3.49Å; K1162-R1165 PolarHBondContact O-N 2.99Å; D1163-R1165 VanDerWaalsContact C-N 3.33Å; D1163-R1165 PolarHBondContact O-N 3.32Å; R1165-I1168 PolarHBondContact O-N 2.81Å; R1165-L1169 WeakPolarHBondContact O-CG 3.45Å; R1165-L1169 PolarHBondContact O-N 2.88Å; R1165-L1169 VanDerWaalsContact O-N 3.1Å
1166	Q	90.6	Very high	89.8	Confident	96 Å²	96	76.3 Å²	76.3	45%	0.449	36%	0.357	S	S	.	.	H	α-helix	trans	-63.4	-45.5	178.4	-169.4	60.2	54	0	0	110.9	K1162 D1163 I1168 L1169 D1170	K1162-Q1166 PolarHBondContact O-N 3.25Å; D1163-Q1166 PolarHBondContact O-N 3.47Å; D1163-Q1166 VanDerWaalsContact O-N 3.17Å; Q1166-I1168 VanDerWaalsContact C-N 3.31Å; Q1166-I1168 PolarHBondContact O-N 3.1Å; Q1166-L1169 PolarHBondContact O-N 3.01Å; Q1166-D1170 PolarHBondContact NE2-OD1 3.47Å; Q1166-D1170 PolarHBondContact O-N 2.74Å
1167	Q	91.9	Very high	90	Very high	103 Å²	103	74 Å²	74	48%	0.481	36%	0.36	S	S	.	.	H	α-helix	trans	-55.9	-43	174.9	-70.2	171	4	0	0	112.5	V947 D1163 I1164 L1169 D1170 E1171	V947-Q1167 HydrophobicContact CG2-CB 4.15Å; D1163-Q1167 WeakPolarHBondContact O-CG 3.4Å; D1163-Q1167 PolarHBondContact O-N 3.48Å; I1164-Q1167 PolarHBondContact O-N 3.22Å; Q1167-L1169 VanDerWaalsContact C-N 3.34Å; Q1167-L1169 PolarHBondContact O-N 2.81Å; Q1167-D1170 PolarHBondContact O-N 3.21Å; Q1167-E1171 PolarHBondContact O-N 3.38Å
1168	I	91.9	Very high	90	Very high	1 Å²	1	77.3 Å²	77.3	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-37.4	176.8	-68.6	163.5	0	0	0	111.9	V947 L950 V1072 L1075 T1076 A1079 I1164 R1165 Q1166	V947-I1168 HydrophobicContact CG1-CG1 4.18Å; V947-I1168 HydrophobicContact CG2-CG1 4.15Å; L950-I1168 HydrophobicContact CD1-CD1 4.31Å; V1072-I1168 HydrophobicContact CG1-CG2 4.2Å; V1072-I1168 WeakPolarHBondContact CG1-O 3.48Å; L1075-I1168 HydrophobicContact CB-CG2 4.28Å; L1075-I1168 HydrophobicContact CD2-CG1 4.02Å; L1075-I1168 HydrophobicContact CD2-CG2 4.16Å; L1075-I1168 HydrophobicContact CG-CD1 4.1Å; L1075-I1168 HydrophobicContact CG-CG1 4.14Å; L1075-I1168 HydrophobicContact CG-CG2 4.16Å; T1076-I1168 WeakPolarHBondContact OG1-CG2 3.48Å; A1079-I1168 HydrophobicContact CB-CD1 3.77Å; I1164-I1168 HydrophobicContact CG2-CD1 4.07Å; I1164-I1168 WeakPolarHBondContact O-CD1 3.21Å; I1164-I1168 WeakPolarHBondContact O-CG1 3.33Å; I1164-I1168 PolarHBondContact O-N 2.68Å; I1164-I1168 VanDerWaalsContact O-N 3.13Å; R1165-I1168 PolarHBondContact O-N 2.81Å; Q1166-I1168 VanDerWaalsContact C-N 3.31Å; Q1166-I1168 PolarHBondContact O-N 3.1Å
1169	L	88.3	Confident	90.2	Very high	91 Å²	91	73.5 Å²	73.5	48%	0.476	36%	0.36	S	S	.	.	H	α-helix	trans	-70.9	-39	176.4	-67.5	171.8	0	0	0	112	R1165 Q1166 Q1167 E1171 K1172 P1173	R1165-L1169 WeakPolarHBondContact O-CG 3.45Å; R1165-L1169 PolarHBondContact O-N 2.88Å; R1165-L1169 VanDerWaalsContact O-N 3.1Å; Q1166-L1169 PolarHBondContact O-N 3.01Å; Q1167-L1169 VanDerWaalsContact C-N 3.34Å; Q1167-L1169 PolarHBondContact O-N 2.81Å; L1169-E1171 VanDerWaalsContact C-N 3.27Å; L1169-E1171 PolarHBondContact O-N 2.97Å; L1169-K1172 WeakPolarHBondContact O-CB 3.42Å; L1169-K1172 PolarHBondContact O-N 2.94Å; L1169-K1172 VanDerWaalsContact O-N 3.16Å; L1169-P1173 WeakPolarHBondContact O-CD 3.31Å
1170	D	89.2	Confident	90.2	Very high	86 Å²	86	70.5 Å²	70.5	46%	0.46	35%	0.348	S	S	.	.	H	α-helix	trans	-69.5	-21.2	-178.9	-64	-17	0	0	0	113	Q1166 Q1167 K1172 P1173	Q1166-D1170 PolarHBondContact NE2-OD1 3.47Å; Q1166-D1170 PolarHBondContact O-N 2.74Å; Q1167-D1170 PolarHBondContact O-N 3.21Å; D1170-K1172 VanDerWaalsContact C-N 3.3Å; D1170-K1172 PolarHBondContact O-N 2.89Å; D1170-P1173 WeakPolarHBondContact O-CD 3.45Å; D1170-P1173 WeakPolarHBondContact O-CG 3.38Å
1171	E	87.4	Confident	90.3	Very high	51 Å²	51	69.8 Å²	69.8	24%	0.238	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-30	170.8	-75.6	-173.1	-174.4	0	0	113.2	K951 Q1167 L1169 K1174 L1175	K951-E1171 VanDerWaalsContact CE-OE2 3.3Å; K951-E1171 WeakPolarHBondContact CE-OE2 3.49Å; K951-E1171 IonicContact NZ-OE1 2.74Å; K951-E1171 PolarHBondContact NZ-OE1 3.03Å; K951-E1171 IonicContact NZ-OE2 2.83Å; K951-E1171 PolarHBondContact NZ-OE2 3.18Å; Q1167-E1171 PolarHBondContact O-N 3.38Å; L1169-E1171 VanDerWaalsContact C-N 3.27Å; L1169-E1171 PolarHBondContact O-N 2.97Å; E1171-K1174 PolarHBondContact O-N 3.32Å; E1171-L1175 HydrophobicContact CB-CD1 4.48Å; E1171-L1175 WeakPolarHBondContact O-CB 3.41Å; E1171-L1175 WeakPolarHBondContact O-CG 3.19Å; E1171-L1175 PolarHBondContact O-N 2.73Å
1172	K	88.4	Confident	90.3	Very high	82 Å²	82	72.7 Å²	72.7	36%	0.357	36%	0.36	S	S	.	.	H	α-helix	trans	-59.1	-56.4	-177.3	-175.3	179.4	174.3	-179.6	0	113.6	I1068 V1072 L1169 D1170 K1174 Q1176	I1068-K1172 HydrophobicContact CG2-CG 4.34Å; V1072-K1172 HydrophobicContact CG1-CB 4.33Å; V1072-K1172 HydrophobicContact CG2-CB 4.04Å; L1169-K1172 WeakPolarHBondContact O-CB 3.42Å; L1169-K1172 PolarHBondContact O-N 2.94Å; L1169-K1172 VanDerWaalsContact O-N 3.16Å; D1170-K1172 VanDerWaalsContact C-N 3.3Å; D1170-K1172 PolarHBondContact O-N 2.89Å; K1172-K1174 VanDerWaalsContact C-N 3.27Å; K1172-K1174 PolarHBondContact O-N 3.13Å; K1172-Q1176 WeakPolarHBondContact O-CG 3.46Å; K1172-Q1176 PolarHBondContact O-N 3.27Å; K1172-Q1176 VanDerWaalsContact O-N 3.13Å
1173	P	87.8	Confident	90.4	Very high	79 Å²	79	65.8 Å²	65.8	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-32.8	179.4	25.7	-35.5	0	0	0	112.3	L1169 D1170 Q1176 S1177	L1169-P1173 WeakPolarHBondContact O-CD 3.31Å; D1170-P1173 WeakPolarHBondContact O-CD 3.45Å; D1170-P1173 WeakPolarHBondContact O-CG 3.38Å; P1173-Q1176 PolarHBondContact O-N 3.44Å; P1173-S1177 PolarHBondContact O-N 2.91Å
1174	K	89.3	Confident	90.3	Very high	123 Å²	123	66.1 Å²	66.1	54%	0.535	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-55.4	177.4	-171.1	179	177.9	-174.3	0	111.3	E1171 K1172 Q1176 S1177 D1178	E1171-K1174 PolarHBondContact O-N 3.32Å; K1172-K1174 VanDerWaalsContact C-N 3.27Å; K1172-K1174 PolarHBondContact O-N 3.13Å; K1174-Q1176 PolarHBondContact O-N 2.97Å; K1174-S1177 WeakPolarHBondContact O-CB 3.35Å; K1174-S1177 PolarHBondContact O-N 3.04Å; K1174-D1178 VanDerWaalsContact O-CG 3.24Å; K1174-D1178 PolarHBondContact O-N 2.76Å
1175	L	89.6	Confident	90.2	Very high	52 Å²	52	67.5 Å²	67.5	27%	0.272	34%	0.336	S	S	.	.	H	α-helix	trans	-58.9	-31.7	177	-69.5	170.8	0	0	0	112.9	I1068 E1171 L1179 L1248	I1068-L1175 HydrophobicContact CD1-CB 4.07Å; I1068-L1175 WeakPolarHBondContact CD1-O 3.19Å; I1068-L1175 HydrophobicContact CG1-CB 4.2Å; I1068-L1175 HydrophobicContact CG2-CB 4.01Å; I1068-L1175 HydrophobicContact CG2-CD1 4.39Å; E1171-L1175 HydrophobicContact CB-CD1 4.48Å; E1171-L1175 WeakPolarHBondContact O-CB 3.41Å; E1171-L1175 WeakPolarHBondContact O-CG 3.19Å; E1171-L1175 PolarHBondContact O-N 2.73Å; L1175-L1179 VanDerWaalsContact O-CB 3.24Å; L1175-L1179 WeakPolarHBondContact O-CB 3.44Å; L1175-L1179 PolarHBondContact O-N 2.89Å; L1175-L1179 VanDerWaalsContact O-N 3.1Å; L1175-L1248 HydrophobicContact CD2-CD2 4.45Å
1176	Q	88.6	Confident	90.3	Very high	50 Å²	50	66 Å²	66	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-70.9	-42.6	174.3	-73	-176.9	-23.4	0	0	112.2	I1068 K1172 P1173 K1174 L1179 D1180	I1068-Q1176 HydrophobicContact CD1-CG 4.05Å; I1068-Q1176 HydrophobicContact CG2-CG 4.12Å; K1172-Q1176 WeakPolarHBondContact O-CG 3.46Å; K1172-Q1176 PolarHBondContact O-N 3.27Å; K1172-Q1176 VanDerWaalsContact O-N 3.13Å; P1173-Q1176 PolarHBondContact O-N 3.44Å; K1174-Q1176 PolarHBondContact O-N 2.97Å; Q1176-L1179 PolarHBondContact O-N 3.46Å; Q1176-D1180 WeakPolarHBondContact O-CB 3.45Å; Q1176-D1180 PolarHBondContact O-N 3.35Å
1177	S	90.7	Very high	90.3	Very high	77 Å²	77	63.4 Å²	63.4	54%	0.538	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-45.9	174.4	-174.4	0	0	0	0	112	P1173 K1174 L1179 D1180 Q1181	P1173-S1177 PolarHBondContact O-N 2.91Å; K1174-S1177 WeakPolarHBondContact O-CB 3.35Å; K1174-S1177 PolarHBondContact O-N 3.04Å; S1177-L1179 VanDerWaalsContact C-N 3.34Å; S1177-L1179 PolarHBondContact O-N 3.43Å; S1177-D1180 PolarHBondContact O-N 2.7Å; S1177-Q1181 PolarHBondContact O-N 3.07Å
1178	D	90.8	Very high	90.1	Very high	75 Å²	75	65.5 Å²	65.5	40%	0.401	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-41.5	179.7	-60.9	-27.4	0	0	0	110.9	K1174 E1182	K1174-D1178 VanDerWaalsContact O-CG 3.24Å; K1174-D1178 PolarHBondContact O-N 2.76Å; D1178-E1182 WeakPolarHBondContact O-CB 3.33Å; D1178-E1182 PolarHBondContact O-N 3.39Å
1179	L	92.9	Very high	90.1	Very high	8 Å²	8	73.1 Å²	73.1	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-64.4	-41.2	173.1	175.4	65.2	0	0	0	113	K1061 K1064 R1065 I1068 L1175 Q1176 S1177 Q1181 Y1183	K1061-L1179 HydrophobicContact CG-CG 4.43Å; K1064-L1179 HydrophobicContact CB-CD1 3.64Å; K1064-L1179 HydrophobicContact CB-CD2 3.8Å; K1064-L1179 HydrophobicContact CB-CG 4.41Å; K1064-L1179 HydrophobicContact CD-CD1 3.4Å; K1064-L1179 VanDerWaalsContact CD-CD1 3.4Å; K1064-L1179 HydrophobicContact CG-CD1 4.19Å; R1065-L1179 HydrophobicContact CB-CD2 3.93Å; R1065-L1179 HydrophobicContact CG-CD2 4.46Å; I1068-L1179 HydrophobicContact CD1-CB 4.2Å; I1068-L1179 HydrophobicContact CD1-CD2 3.67Å; L1175-L1179 VanDerWaalsContact O-CB 3.24Å; L1175-L1179 WeakPolarHBondContact O-CB 3.44Å; L1175-L1179 PolarHBondContact O-N 2.89Å; L1175-L1179 VanDerWaalsContact O-N 3.1Å; Q1176-L1179 PolarHBondContact O-N 3.46Å; S1177-L1179 VanDerWaalsContact C-N 3.34Å; S1177-L1179 PolarHBondContact O-N 3.43Å; L1179-Q1181 VanDerWaalsContact C-N 3.33Å; L1179-Y1183 HydrophobicContact CD1-CD2 3.64Å; L1179-Y1183 HydrophobicContact CD1-CE2 3.74Å; L1179-Y1183 PolarHBondContact O-N 2.93Å
1180	D	89.8	Confident	90.2	Very high	60 Å²	60	68.8 Å²	68.8	32%	0.321	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-41.8	179.6	-91.4	-45.2	0	0	0	110.9	K1061 Q1176 S1177 Q1184	K1061-D1180 WeakPolarHBondContact CE-OD1 3.46Å; K1061-D1180 PolarHBondContact NZ-O 3.21Å; K1061-D1180 IonicContact NZ-OD1 2.62Å; K1061-D1180 PolarHBondContact NZ-OD1 2.93Å; Q1176-D1180 WeakPolarHBondContact O-CB 3.45Å; Q1176-D1180 PolarHBondContact O-N 3.35Å; S1177-D1180 PolarHBondContact O-N 2.7Å; D1180-Q1184 WeakPolarHBondContact O-CB 3.43Å; D1180-Q1184 PolarHBondContact O-N 3.36Å
1181	Q	92.8	Very high	90.1	Very high	90 Å²	90	67.1 Å²	67.1	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-67	-49	174.1	-174.3	62.6	49.6	0	0	112.6	S1177 L1179 Y1183 Q1184 D1185	S1177-Q1181 PolarHBondContact O-N 3.07Å; L1179-Q1181 VanDerWaalsContact C-N 3.33Å; Q1181-Y1183 VanDerWaalsContact C-N 3.26Å; Q1181-Y1183 PolarHBondContact O-N 3.04Å; Q1181-Q1184 PolarHBondContact O-N 2.91Å; Q1181-D1185 PolarHBondContact NE2-OD2 3.14Å; Q1181-D1185 PolarHBondContact O-N 3.47Å
1182	E	92.6	Very high	90.1	Very high	68 Å²	68	68.4 Å²	68.4	32%	0.318	33%	0.334	S	S	.	.	H	α-helix	trans	-49.5	-48.1	179	-176.8	-157	163.4	0	0	111.2	K1064 D1178 K1186	K1064-E1182 IonicContact NZ-OE1 3.25Å; K1064-E1182 PolarHBondContact NZ-OE1 3.44Å; K1064-E1182 IonicContact NZ-OE2 3.98Å; K1064-E1182 PolarHBondContact NZ-OE2 3.46Å; D1178-E1182 WeakPolarHBondContact O-CB 3.33Å; D1178-E1182 PolarHBondContact O-N 3.39Å; E1182-K1186 WeakPolarHBondContact O-CG 3.33Å; E1182-K1186 PolarHBondContact O-N 3.05Å; E1182-K1186 IonicContact OE1-NZ 2.69Å; E1182-K1186 PolarHBondContact OE1-NZ 3.15Å
1183	Y	92.4	Very high	90	Very high	3 Å²	3	68.4 Å²	68.4	1%	0.012	34%	0.335	C	S	.	.	H	α-helix	trans	-80.8	-27.8	-179.1	-81	-94.4	0	0	0	113.3	Y1057 E1060 K1061 K1064 L1179 Q1181 D1185 K1186 F1187	Y1057-Y1183 HydrophobicContact CD1-CE1 4.23Å; Y1057-Y1183 HydrophobicContact CG-CD1 4.41Å; Y1057-Y1183 HydrophobicContact CG-CE1 4.36Å; Y1057-Y1183 WeakPolarHBondContact O-CD1 3.15Å; Y1057-Y1183 WeakPolarHBondContact O-CE1 3.13Å; E1060-Y1183 HydrophobicContact CB-CE1 3.83Å; E1060-Y1183 WeakPolarHBondContact CB-OH 3.47Å; E1060-Y1183 PolarHBondContact OE2-OH 3.08Å; K1061-Y1183 HydrophobicContact CB-CD1 3.83Å; K1061-Y1183 HydrophobicContact CB-CD2 4.19Å; K1061-Y1183 HydrophobicContact CB-CE1 4.29Å; K1061-Y1183 HydrophobicContact CB-CG 3.79Å; K1061-Y1183 HydrophobicContact CD-CG 4.1Å; K1061-Y1183 HydrophobicContact CG-CD1 4.45Å; K1061-Y1183 HydrophobicContact CG-CD2 4.15Å; K1061-Y1183 HydrophobicContact CG-CG 3.91Å; K1064-Y1183 HydrophobicContact CD-CE2 3.94Å; L1179-Y1183 HydrophobicContact CD1-CD2 3.64Å; L1179-Y1183 HydrophobicContact CD1-CE2 3.74Å; L1179-Y1183 PolarHBondContact O-N 2.93Å; Q1181-Y1183 VanDerWaalsContact C-N 3.26Å; Q1181-Y1183 PolarHBondContact O-N 3.04Å; Y1183-D1185 VanDerWaalsContact C-N 3.34Å; Y1183-D1185 PolarHBondContact O-N 3.25Å; Y1183-K1186 HydrophobicContact CD1-CD 3.92Å; Y1183-K1186 HydrophobicContact CD2-CD 4.49Å; Y1183-K1186 HydrophobicContact CE1-CD 3.88Å; Y1183-K1186 HydrophobicContact CE2-CD 4.44Å; Y1183-K1186 HydrophobicContact CG-CD 4.23Å; Y1183-K1186 PolarHBondContact O-N 2.91Å; Y1183-K1186 PolarHBondContact OH-NZ 3.47Å; Y1183-F1187 WeakPolarHBondContact O-CD2 3.48Å; Y1183-F1187 PolarHBondContact O-N 2.92Å
1184	Q	90.8	Very high	90	Very high	90 Å²	90	65 Å²	65	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-43.7	173.3	-165.7	-176.6	37.7	0	0	111.2	D1180 Q1181 F1187 R1188	D1180-Q1184 WeakPolarHBondContact O-CB 3.43Å; D1180-Q1184 PolarHBondContact O-N 3.36Å; Q1181-Q1184 PolarHBondContact O-N 2.91Å; Q1184-F1187 PolarHBondContact O-N 3.34Å; Q1184-R1188 VanDerWaalsContact CD-NH2 3.29Å; Q1184-R1188 WeakPolarHBondContact O-CG 3.48Å; Q1184-R1188 PolarHBondContact O-N 2.68Å; Q1184-R1188 VanDerWaalsContact O-N 3.08Å
1185	D	90.1	Very high	89.7	Confident	46 Å²	46	63.5 Å²	63.5	25%	0.246	31%	0.308	C	S	.	.	H	α-helix	trans	-72.2	-33.3	178.2	-72.6	-37.4	0	0	0	113.1	Q1181 Y1183 R1188 R1189	Q1181-D1185 PolarHBondContact NE2-OD2 3.14Å; Q1181-D1185 PolarHBondContact O-N 3.47Å; Y1183-D1185 VanDerWaalsContact C-N 3.34Å; Y1183-D1185 PolarHBondContact O-N 3.25Å; D1185-R1188 PolarHBondContact O-N 2.74Å; D1185-R1188 IonicContact OD1-CZ 2.66Å; D1185-R1188 IonicContact OD1-NE 2.74Å; D1185-R1188 IonicContact OD1-NH1 2.83Å; D1185-R1188 PolarHBondContact OD1-NH1 3.42Å; D1185-R1189 WeakPolarHBondContact O-CG 3.4Å; D1185-R1189 PolarHBondContact O-N 2.94Å
1186	K	90.2	Very high	89.4	Confident	56 Å²	56	66.5 Å²	66.5	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-47.4	168.1	-75.7	170.4	171.7	176.7	0	111.9	Y1057 E1182 Y1183 R1188 R1189 L1190	Y1057-K1186 HydrophobicContact CD2-CB 3.96Å; Y1057-K1186 HydrophobicContact CE2-CB 3.75Å; Y1057-K1186 HydrophobicContact CE2-CG 4.47Å; E1182-K1186 WeakPolarHBondContact O-CG 3.33Å; E1182-K1186 PolarHBondContact O-N 3.05Å; E1182-K1186 IonicContact OE1-NZ 2.69Å; E1182-K1186 PolarHBondContact OE1-NZ 3.15Å; Y1183-K1186 HydrophobicContact CD1-CD 3.92Å; Y1183-K1186 HydrophobicContact CD2-CD 4.49Å; Y1183-K1186 HydrophobicContact CE1-CD 3.88Å; Y1183-K1186 HydrophobicContact CE2-CD 4.44Å; Y1183-K1186 HydrophobicContact CG-CD 4.23Å; Y1183-K1186 PolarHBondContact O-N 2.91Å; Y1183-K1186 PolarHBondContact OH-NZ 3.47Å; K1186-R1188 VanDerWaalsContact C-N 3.3Å; K1186-R1188 PolarHBondContact O-N 3.25Å; K1186-R1189 PolarHBondContact O-N 2.96Å; K1186-L1190 WeakPolarHBondContact O-CB 3.47Å; K1186-L1190 PolarHBondContact O-N 2.96Å; K1186-L1190 VanDerWaalsContact O-N 3.15Å
1187	F	89.9	Confident	89.2	Confident	40 Å²	40	68.7 Å²	68.7	18%	0.175	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-32.1	178	-78.7	-61.8	0	0	0	113.2	Q1054 Y1057 Y1058 Y1183 Q1184	Q1054-F1187 HydrophobicContact CB-CE1 4.22Å; Q1054-F1187 HydrophobicContact CG-CD1 4.34Å; Q1054-F1187 HydrophobicContact CG-CE1 4.27Å; Y1057-F1187 HydrophobicContact CD2-CD1 4.34Å; Y1057-F1187 HydrophobicContact CD2-CE1 4.4Å; Y1058-F1187 HydrophobicContact CD1-CE2 4.14Å; Y1058-F1187 AromaticContact CD1-CZ 3.62Å; Y1058-F1187 HydrophobicContact CD1-CZ 3.62Å; Y1058-F1187 HydrophobicContact CD2-CE1 4Å; Y1058-F1187 AromaticContact CD2-CZ 3.8Å; Y1058-F1187 HydrophobicContact CD2-CZ 3.8Å; Y1058-F1187 HydrophobicContact CE1-CE1 4.36Å; Y1058-F1187 AromaticContact CE1-CE2 3.96Å; Y1058-F1187 HydrophobicContact CE1-CE2 3.96Å; Y1058-F1187 AromaticContact CE1-CZ 3.62Å; Y1058-F1187 HydrophobicContact CE1-CZ 3.62Å; Y1058-F1187 AromaticContact CE2-CE1 3.79Å; Y1058-F1187 HydrophobicContact CE2-CE1 3.79Å; Y1058-F1187 AromaticContact CE2-CZ 3.8Å; Y1058-F1187 HydrophobicContact CE2-CZ 3.8Å; Y1058-F1187 HydrophobicContact CG-CE1 4.36Å; Y1058-F1187 AromaticContact CG-CZ 3.7Å; Y1058-F1187 HydrophobicContact CG-CZ 3.7Å; Y1058-F1187 AromaticContact CZ-CE1 3.97Å; Y1058-F1187 AromaticContact CZ-CZ 3.7Å; Y1183-F1187 WeakPolarHBondContact O-CD2 3.48Å; Y1183-F1187 PolarHBondContact O-N 2.92Å; Q1184-F1187 PolarHBondContact O-N 3.34Å
1188	R	89.6	Confident	88.8	Confident	148 Å²	148	65.4 Å²	65.4	56%	0.558	31%	0.306	S	S	*	.	H	α-helix	trans	-68.3	-37.3	176.1	-72.6	170.7	-176.3	169.5	-1.5	113.2	Q1184 D1185 K1186	Q1184-R1188 VanDerWaalsContact CD-NH2 3.29Å; Q1184-R1188 WeakPolarHBondContact O-CG 3.48Å; Q1184-R1188 PolarHBondContact O-N 2.68Å; Q1184-R1188 VanDerWaalsContact O-N 3.08Å; D1185-R1188 PolarHBondContact O-N 2.74Å; D1185-R1188 IonicContact OD1-CZ 2.66Å; D1185-R1188 IonicContact OD1-NE 2.74Å; D1185-R1188 IonicContact OD1-NH1 2.83Å; D1185-R1188 PolarHBondContact OD1-NH1 3.42Å; K1186-R1188 VanDerWaalsContact C-N 3.3Å; K1186-R1188 PolarHBondContact O-N 3.25Å
1189	R	90.1	Very high	88.1	Confident	160 Å²	160	66.4 Å²	66.4	60%	0.604	31%	0.308	S	S	*	.	H	α-helix	trans	-81.5	-34.7	-176.9	-64.2	174.8	-166.6	-177.6	5.3	113.1	D1185 K1186 P1191 V1192 E1193	D1185-R1189 WeakPolarHBondContact O-CG 3.4Å; D1185-R1189 PolarHBondContact O-N 2.94Å; K1186-R1189 PolarHBondContact O-N 2.96Å; R1189-P1191 VanDerWaalsContact O-N 3.14Å; R1189-V1192 PolarHBondContact O-N 3.48Å; R1189-E1193 WeakPolarHBondContact CB-OE1 3.39Å; R1189-E1193 PolarHBondContact O-N 3.39Å
1190	L	90.6	Very high	87.1	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-50.2	-38.7	-170.9	-172.5	64.3	0	0	0	116.7	L1050 R1053 Q1054 Y1057 K1186 V1192 I1194	L1050-L1190 HydrophobicContact CD1-CD2 4.15Å; L1050-L1190 HydrophobicContact CD1-CG 4.05Å; R1053-L1190 HydrophobicContact CB-CD1 3.82Å; R1053-L1190 HydrophobicContact CB-CD2 3.71Å; R1053-L1190 HydrophobicContact CB-CG 4.22Å; R1053-L1190 HydrophobicContact CG-CD1 4.38Å; Q1054-L1190 HydrophobicContact CG-CD2 3.83Å; Y1057-L1190 HydrophobicContact CD2-CD2 3.88Å; Y1057-L1190 HydrophobicContact CE2-CB 4.22Å; Y1057-L1190 HydrophobicContact CE2-CD1 3.89Å; Y1057-L1190 HydrophobicContact CE2-CD2 3.9Å; Y1057-L1190 HydrophobicContact CE2-CG 4.23Å; K1186-L1190 WeakPolarHBondContact O-CB 3.47Å; K1186-L1190 PolarHBondContact O-N 2.96Å; K1186-L1190 VanDerWaalsContact O-N 3.15Å; L1190-V1192 VanDerWaalsContact C-N 3.29Å; L1190-V1192 PolarHBondContact O-N 2.96Å; L1190-I1194 HydrophobicContact CD1-CD1 3.68Å; L1190-I1194 HydrophobicContact CD1-CG1 4.16Å; L1190-I1194 HydrophobicContact CG-CD1 3.81Å; L1190-I1194 WeakPolarHBondContact O-CG1 3.44Å; L1190-I1194 PolarHBondContact O-N 3.34Å
1191	P	87	Confident	85.8	Confident	50 Å²	50	70 Å²	70	33%	0.325	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-35.1	178.1	-22.8	34.9	0	0	0	113.4	L1050 R1189 Q1195	L1050-P1191 HydrophobicContact CD1-CB 4.47Å; L1050-P1191 HydrophobicContact CD1-CG 4.27Å; R1189-P1191 VanDerWaalsContact O-N 3.14Å; P1191-Q1195 WeakPolarHBondContact O-CB 3.47Å; P1191-Q1195 PolarHBondContact O-N 3.06Å; P1191-Q1195 VanDerWaalsContact O-N 3.12Å
1192	V	87.6	Confident	84	Confident	78 Å²	78	67.3 Å²	67.3	47%	0.473	32%	0.322	S	S	.	.	H	α-helix	trans	-73.3	-49.4	-179.7	-174.8	0	0	0	0	110	R1189 L1190 I1194 Q1195 E1196	R1189-V1192 PolarHBondContact O-N 3.48Å; L1190-V1192 VanDerWaalsContact C-N 3.29Å; L1190-V1192 PolarHBondContact O-N 2.96Å; V1192-I1194 PolarHBondContact O-N 2.78Å; V1192-I1194 VanDerWaalsContact O-N 3.14Å; V1192-Q1195 WeakPolarHBondContact O-CB 3.44Å; V1192-Q1195 PolarHBondContact O-N 3.5Å; V1192-E1196 HydrophobicContact CG1-CG 4.47Å; V1192-E1196 WeakPolarHBondContact O-CG 3.49Å; V1192-E1196 PolarHBondContact O-N 3.48Å
1193	E	87.4	Confident	82.1	Confident	82 Å²	82	70.1 Å²	70.1	38%	0.383	33%	0.334	S	S	.	.	H	α-helix	trans	-53.1	-37.5	177.5	-63.7	173.6	-167.6	0	0	112.2	R1189 F1197	R1189-E1193 WeakPolarHBondContact CB-OE1 3.39Å; R1189-E1193 PolarHBondContact O-N 3.39Å; E1193-F1197 WeakPolarHBondContact O-CB 3.48Å; E1193-F1197 PolarHBondContact O-N 3.15Å; E1193-F1197 VanDerWaalsContact O-N 3.11Å
1194	I	87.2	Confident	79.9	Confident	8 Å²	8	75.7 Å²	75.7	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-80.6	-33.7	-179.8	-69.1	175.7	0	0	0	112.1	Q1046 L1049 L1050 R1053 L1190 V1192 V1198	Q1046-I1194 HydrophobicContact CG-CG2 4.04Å; L1049-I1194 HydrophobicContact CB-CG2 4.14Å; L1049-I1194 HydrophobicContact CD2-CG2 4.07Å; L1049-I1194 HydrophobicContact CG-CD1 4.29Å; L1049-I1194 HydrophobicContact CG-CG1 4.41Å; L1049-I1194 HydrophobicContact CG-CG2 4.02Å; L1050-I1194 HydrophobicContact CB-CD1 4.18Å; L1050-I1194 HydrophobicContact CB-CG2 4.48Å; L1050-I1194 HydrophobicContact CD1-CD1 4.01Å; R1053-I1194 HydrophobicContact CB-CD1 3.9Å; R1053-I1194 HydrophobicContact CG-CD1 3.87Å; L1190-I1194 HydrophobicContact CD1-CD1 3.68Å; L1190-I1194 HydrophobicContact CD1-CG1 4.16Å; L1190-I1194 HydrophobicContact CG-CD1 3.81Å; L1190-I1194 WeakPolarHBondContact O-CG1 3.44Å; L1190-I1194 PolarHBondContact O-N 3.34Å; V1192-I1194 PolarHBondContact O-N 2.78Å; V1192-I1194 VanDerWaalsContact O-N 3.14Å; I1194-V1198 WeakPolarHBondContact O-CG2 3.37Å; I1194-V1198 PolarHBondContact O-N 3.43Å; I1194-V1198 VanDerWaalsContact O-N 3.07Å
1195	Q	83	Confident	77.7	Confident	91 Å²	91	77.5 Å²	77.5	43%	0.425	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-43.9	172.9	-173.2	170.6	1.1	0	0	111.2	P1191 V1192 Q1199	P1191-Q1195 WeakPolarHBondContact O-CB 3.47Å; P1191-Q1195 PolarHBondContact O-N 3.06Å; P1191-Q1195 VanDerWaalsContact O-N 3.12Å; V1192-Q1195 WeakPolarHBondContact O-CB 3.44Å; V1192-Q1195 PolarHBondContact O-N 3.5Å; Q1195-Q1199 VanDerWaalsContact O-CG 3.31Å; Q1195-Q1199 WeakPolarHBondContact O-CG 3.21Å; Q1195-Q1199 PolarHBondContact O-N 3.38Å; Q1195-Q1199 VanDerWaalsContact O-N 3.07Å
1196	E	83.9	Confident	75.1	Confident	115 Å²	115	82.9 Å²	82.9	54%	0.537	40%	0.402	S	S	.	.	H	α-helix	trans	-62.2	-47.9	174.9	-68.9	175.3	162.8	0	0	111.3	V1192 V1198 Q1199 D1200	V1192-E1196 HydrophobicContact CG1-CG 4.47Å; V1192-E1196 WeakPolarHBondContact O-CG 3.49Å; V1192-E1196 PolarHBondContact O-N 3.48Å; E1196-V1198 PolarHBondContact O-N 2.88Å; E1196-Q1199 PolarHBondContact O-N 3.47Å; E1196-Q1199 VanDerWaalsContact O-N 3.14Å; E1196-D1200 PolarHBondContact O-N 3.22Å
1197	F	83.8	Confident	72.4	Confident	97 Å²	97	86 Å²	86	43%	0.425	43%	0.43	S	S	.	.	H	α-helix	trans	-57.8	-42.7	178.3	-179.8	-96.1	0	0	0	113.6	I982 L1049 E1193 S1201	I982-F1197 HydrophobicContact CD1-CE1 3.98Å; I982-F1197 HydrophobicContact CD1-CZ 3.89Å; I982-F1197 HydrophobicContact CG1-CE1 4.43Å; L1049-F1197 HydrophobicContact CD2-CD1 3.56Å; L1049-F1197 HydrophobicContact CD2-CE1 3.77Å; E1193-F1197 WeakPolarHBondContact O-CB 3.48Å; E1193-F1197 PolarHBondContact O-N 3.15Å; E1193-F1197 VanDerWaalsContact O-N 3.11Å; F1197-S1201 WeakPolarHBondContact O-CB 3.36Å; F1197-S1201 PolarHBondContact O-N 3.06Å; F1197-S1201 PolarHBondContact O-OG 3.14Å
1198	V	81.5	Confident	69.6	Low	7 Å²	7	91.9 Å²	91.9	4%	0.042	46%	0.464	C	S	.	.	H	α-helix	trans	-73.5	-29.7	178.2	174.9	0	0	0	0	111.9	K1042 Q1045 Q1046 L1049 I1194 E1196 S1201	K1042-V1198 HydrophobicContact CB-CG1 4.42Å; Q1045-V1198 HydrophobicContact CG-CG2 4.42Å; Q1046-V1198 HydrophobicContact CB-CG2 4.23Å; Q1046-V1198 HydrophobicContact CG-CG2 4.49Å; L1049-V1198 HydrophobicContact CD2-CG2 4.45Å; I1194-V1198 WeakPolarHBondContact O-CG2 3.37Å; I1194-V1198 PolarHBondContact O-N 3.43Å; I1194-V1198 VanDerWaalsContact O-N 3.07Å; E1196-V1198 PolarHBondContact O-N 2.88Å; V1198-S1201 PolarHBondContact O-OG 3.15Å
1199	Q	76.8	Confident	66.7	Low	97 Å²	97	92.4 Å²	92.4	45%	0.453	48%	0.477	S	S	.	.	H	α-helix	trans	-69.6	-51.3	173.6	-74.9	-179.2	28.3	0	0	112	Q1195 E1196 S1202 K1203	Q1195-Q1199 VanDerWaalsContact O-CG 3.31Å; Q1195-Q1199 WeakPolarHBondContact O-CG 3.21Å; Q1195-Q1199 PolarHBondContact O-N 3.38Å; Q1195-Q1199 VanDerWaalsContact O-N 3.07Å; E1196-Q1199 PolarHBondContact O-N 3.47Å; E1196-Q1199 VanDerWaalsContact O-N 3.14Å; Q1199-S1202 WeakPolarHBondContact O-CB 3.46Å; Q1199-S1202 PolarHBondContact O-N 3.32Å; Q1199-S1202 PolarHBondContact O-OG 2.99Å; Q1199-K1203 PolarHBondContact O-N 3.09Å
1200	D	71.3	Confident	63.7	Low	89 Å²	89	90.1 Å²	90.1	48%	0.476	49%	0.486	S	S	.	.	H	α-helix	trans	-68	-38.8	-174.9	-84.3	-6.7	0	0	0	113.2	E1196 S1202 K1203 T1204	E1196-D1200 PolarHBondContact O-N 3.22Å; D1200-S1202 PolarHBondContact O-N 3.48Å; D1200-S1202 VanDerWaalsContact O-N 3.08Å; D1200-K1203 PolarHBondContact O-N 3.34Å; D1200-K1203 WeakPolarHBondContact OD1-CD 3.32Å; D1200-K1203 WeakPolarHBondContact OD1-CE 3.35Å; D1200-K1203 IonicContact OD1-NZ 3.94Å; D1200-K1203 PolarHBondContact OD1-NZ 3.07Å; D1200-T1204 PolarHBondContact O-OG1 2.75Å; D1200-T1204 VanDerWaalsContact O-OG1 3.05Å
1201	S	62.8	Low	60.8	Low	53 Å²	53	98.4 Å²	98.4	37%	0.371	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-11.4	172.3	56	0	0	0	0	113.7	F1197 V1198	F1197-S1201 WeakPolarHBondContact O-CB 3.36Å; F1197-S1201 PolarHBondContact O-N 3.06Å; F1197-S1201 PolarHBondContact O-OG 3.14Å; V1198-S1201 PolarHBondContact O-OG 3.15Å
1202	S	56	Low	58.9	Low	34 Å²	34	102 Å²	102	24%	0.238	55%	0.553	C	S	.	*	H	α-helix	trans	-97.3	-16	172.4	83.9	0	0	0	0	115	K1042 Q1199 D1200	K1042-S1202 PolarHBondContact NZ-OG 3.29Å; K1042-S1202 VanDerWaalsContact NZ-OG 3.08Å; Q1199-S1202 WeakPolarHBondContact O-CB 3.46Å; Q1199-S1202 PolarHBondContact O-N 3.32Å; Q1199-S1202 PolarHBondContact O-OG 2.99Å; D1200-S1202 PolarHBondContact O-N 3.48Å; D1200-S1202 VanDerWaalsContact O-N 3.08Å
1203	K	51.5	Low	56	Low	128 Å²	128	102.1 Å²	102.1	56%	0.557	57%	0.569	S	S	*	*	H	α-helix	trans	-74.6	-32.9	172.4	-63.8	172.1	-170.6	161	0	111.5	Q1199 D1200 K1205 L1206	Q1199-K1203 PolarHBondContact O-N 3.09Å; D1200-K1203 PolarHBondContact O-N 3.34Å; D1200-K1203 WeakPolarHBondContact OD1-CD 3.32Å; D1200-K1203 WeakPolarHBondContact OD1-CE 3.35Å; D1200-K1203 IonicContact OD1-NZ 3.94Å; D1200-K1203 PolarHBondContact OD1-NZ 3.07Å; K1203-K1205 PolarHBondContact O-N 3.16Å; K1203-L1206 PolarHBondContact O-N 3.3Å
1204	T	46.2	Very low	53.1	Low	119 Å²	119	105.7 Å²	105.7	73%	0.73	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	4.9	-171.9	-3.3	0	0	0	0	116	D1200	D1200-T1204 PolarHBondContact O-OG1 2.75Å; D1200-T1204 VanDerWaalsContact O-OG1 3.05Å
1205	K	46.1	Very low	50.2	Low	129 Å²	129	113.2 Å²	113.2	56%	0.561	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	5.4	-179.3	-83.2	-169	172.3	-173.5	0	114.9	K1203	K1203-K1205 PolarHBondContact O-N 3.16Å
1206	L	34.9	Very low	47.4	Very low	158 Å²	158	115.8 Å²	115.8	83%	0.827	65%	0.652	S	S	*	*	S	Bend	trans	-113.7	10.6	-176	-79.8	167.6	0	0	0	114.2	K1203	K1203-L1206 PolarHBondContact O-N 3.3Å
1207	C	33.3	Very low	44.8	Very low	123 Å²	123	115.4 Å²	115.4	83%	0.831	66%	0.662	S	S	*	*	S	Bend	trans	-142.9	65.9	-175.4	-163.8	0	0	0	0	111.9
1208	D	31.2	Very low	42	Very low	163 Å²	163	116.1 Å²	116.1	87%	0.872	68%	0.679	S	S	*	*			trans	-156.1	62.4	164.9	-155	5.9	0	0	0	112.2
1209	D	29.4	Very low	39.5	Very low	159 Å²	159	120.4 Å²	120.4	85%	0.85	71%	0.709	S	S	*	*	S	Bend	trans	-159	62	167.7	-145.3	-5.9	0	0	0	112.9
1210	S	27.1	Very low	37.4	Very low	111 Å²	111	122 Å²	122	78%	0.776	73%	0.726	S	S	*	*	S	Bend	trans	177.1	79.3	152.8	36.5	0	0	0	0	116.9
1211	L	29.6	Very low	35.3	Very low	175 Å²	175	124.1 Å²	124.1	92%	0.916	74%	0.742	S	S	*	*			trans	67.9	164.7	141.2	-70.8	171.4	0	0	0	119.5
1212	P	47	Very low	33.7	Very low	127 Å²	127	131 Å²	131	83%	0.825	77%	0.769	S	S	*	*			trans	-105.8	153.9	-140.1	38.9	-37	0	0	0	116.8
1213	G	25.2	Very low	32.4	Very low	79 Å²	79	140.8 Å²	140.8	81%	0.814	80%	0.8	S	S	*	*			trans	-157.7	136.8	172	0	0	0	0	0	113.7
1214	N	26.8	Very low	31.2	Very low	157 Å²	157	143.2 Å²	143.2	84%	0.84	82%	0.818	S	S	*	*			trans	-55.3	160	-176.3	-82.5	-31.8	0	0	0	117.8
1215	L	26.1	Very low	30.3	Very low	167 Å²	167	144.4 Å²	144.4	87%	0.874	82%	0.82	S	S	*	*			trans	73.5	123.6	152.7	-70.9	157.6	0	0	0	119
1216	V	25.7	Very low	29.6	Very low	145 Å²	145	147.4 Å²	147.4	88%	0.879	84%	0.836	S	S	*	*			trans	-126.4	134.8	165.2	174.4	0	0	0	0	108.7
1217	S	28.1	Very low	29.3	Very low	107 Å²	107	149.4 Å²	149.4	75%	0.748	84%	0.838	S	S	*	*			trans	-155.6	117.2	172.7	59.5	0	0	0	0	111.2
1218	S	26.4	Very low	29.2	Very low	112 Å²	112	148.4 Å²	148.4	78%	0.783	84%	0.839	S	S	*	*			trans	64.7	150.5	-178.6	-137.6	0	0	0	0	114.2
1219	S	28.6	Very low	29.1	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	83%	0.83	S	S	*	*			cis	-170.6	148.5	-22.2	39.2	0	0	0	0	104.8
1220	T	32	Very low	29.1	Very low	131 Å²	131	147.1 Å²	147.1	80%	0.804	83%	0.833	S	S	*	*			cis	-157.1	146.5	21.6	-20.7	0	0	0	0	107.2
1221	T	26.8	Very low	29.2	Very low	134 Å²	134	147 Å²	147	82%	0.822	83%	0.832	S	S	*	*			trans	-157.3	120	175.2	-26.2	0	0	0	0	111.5
1222	E	28.8	Very low	29.1	Very low	198 Å²	198	146.7 Å²	146.7	93%	0.925	83%	0.826	S	S	*	*			trans	-80.9	154.2	171.6	-66.8	-161.8	121.1	0	0	111.5
1223	R	29.5	Very low	28.4	Very low	239 Å²	239	147.9 Å²	147.9	90%	0.902	83%	0.825	S	S	*	*			trans	-108.2	131.9	-163.4	-62	172.6	175.7	172.6	-2.8	111.8
1224	L	26.3	Very low	28.5	Very low	179 Å²	179	151.6 Å²	151.6	94%	0.937	83%	0.827	S	S	*	*			trans	-124.2	90.7	158.1	-79.6	175.4	0	0	0	110.6
1225	N	27.3	Very low	28.6	Very low	144 Å²	144	152.5 Å²	152.5	77%	0.77	83%	0.828	S	S	*	*			trans	-163.1	121.5	163.7	-142.9	-20.5	0	0	0	110.3
1226	H	31.2	Very low	28.8	Very low	192 Å²	192	153.8 Å²	153.8	89%	0.889	83%	0.829	S	S	*	*			trans	-154.2	148.6	153.2	-111.6	-78.4	0	0	0	111.1
1227	K	28.8	Very low	29.1	Very low	200 Å²	200	156.2 Å²	156.2	87%	0.87	83%	0.831	S	S	*	*			trans	-80.3	163.3	-171.6	-63.6	174.1	177.4	176.1	0	112.5
1228	A	31.7	Very low	28.9	Very low	102 Å²	102	154.8 Å²	154.8	84%	0.843	83%	0.833	S	S	*	*			trans	-107.6	138.8	165.6	0	0	0	0	0	111.2
1229	S	29.5	Very low	28.9	Very low	98 Å²	98	155 Å²	155	69%	0.685	84%	0.835	S	S	*	*			trans	-177.4	129.5	157.8	50.2	0	0	0	0	111.5
1230	Q	29.1	Very low	28.9	Very low	196 Å²	196	155 Å²	155	92%	0.916	84%	0.835	S	S	*	*			trans	66.8	154.2	165.9	-65.1	163.9	-28.8	0	0	115.9
1231	S	28.5	Very low	28.9	Very low	109 Å²	109	156.8 Å²	156.8	76%	0.762	83%	0.834	S	S	*	*			cis	-139.4	-164.4	0.6	55.4	0	0	0	0	112.3
1232	E	27.9	Very low	28.8	Very low	168 Å²	168	159.7 Å²	159.7	79%	0.785	84%	0.838	S	S	*	*			trans	-73.1	155.9	-172.2	-62	130.9	142.6	0	0	116.6
1233	D	32.2	Very low	28.7	Very low	152 Å²	152	154.6 Å²	154.6	81%	0.813	83%	0.83	S	S	*	*			trans	46.7	163.9	140.3	-62.5	-20.8	0	0	0	125.4
1234	D	27.9	Very low	28.5	Very low	158 Å²	158	153 Å²	153	85%	0.845	83%	0.83	S	S	*	*			trans	84.3	151.6	164.1	-82.2	-21.8	0	0	0	123.8
1235	M	28.8	Very low	28.5	Very low	175 Å²	175	151.9 Å²	151.9	86%	0.862	83%	0.825	S	S	*	*			trans	72.5	91.9	171.7	-56.8	-159	-163.1	0	0	120.9
1236	E	29.5	Very low	28.4	Very low	194 Å²	194	151.8 Å²	151.8	91%	0.907	83%	0.83	S	S	*	*				42.7	170.8	107.3	-67.7	-163.7	142.7	0	0	124.1
1237	E	32.8	Very low	28.2	Very low	196 Å²	196	147.1 Å²	147.1	92%	0.916	83%	0.825	S	S	*	*			trans	-55.4	149.9	-161.6	-50.3	-170.2	124.5	0	0	118.5
1238	G	24.6	Very low	28.2	Very low	77 Å²	77	147.4 Å²	147.4	79%	0.794	83%	0.834	S	S	*	*			trans	-164.4	127.6	168.3	0	0	0	0	0	114.2
1239	S	26.2	Very low	28	Very low	117 Å²	117	149.7 Å²	149.7	82%	0.818	83%	0.834	S	S	*	*			trans	-69.5	162.1	162.5	50.9	0	0	0	0	111.1
1240	S	28	Very low	27.9	Very low	96 Å²	96	152.4 Å²	152.4	67%	0.671	84%	0.842	S	S	*	*			cis	-163	-179.1	0.9	30.9	0	0	0	0	108.8
1241	E	31.2	Very low	27.8	Very low	168 Å²	168	149.9 Å²	149.9	79%	0.785	84%	0.838	S	S	*	*			trans	35.7	106.6	149.1	-68.4	172.1	158	0	0	119.2
1242	H	26	Very low	27.8	Very low	195 Å²	195	152.4 Å²	152.4	90%	0.903	84%	0.842	S	S	*	*				-155.8	150.7	114.7	-106.1	-73	0	0	0	110
1243	A	25.2	Very low	27.8	Very low	92 Å²	92	151.4 Å²	151.4	76%	0.76	85%	0.846	S	S	*	*			trans	-76	154.7	-175.2	0	0	0	0	0	112.9
1244	F	25.8	Very low	27.5	Very low	205 Å²	205	151.3 Å²	151.3	90%	0.899	85%	0.848	S	S	*	*			trans	-78.6	128.8	166.3	-76.1	-101.5	0	0	0	109.3
1245	D	26.1	Very low	27.5	Very low	155 Å²	155	150.9 Å²	150.9	83%	0.829	85%	0.848	S	S	*	*			trans	-148.5	88.5	172.1	-153.5	-1.6	0	0	0	111.7
1246	T	25.4	Very low	27.4	Very low	143 Å²	143	149 Å²	149	88%	0.877	85%	0.847	S	S	*	*			trans	-156.4	146.1	155.1	-39.7	0	0	0	0	107.8
1247	A	26.2	Very low	27.2	Very low	94 Å²	94	145.3 Å²	145.3	78%	0.777	84%	0.842	S	S	*	*			trans	-70.6	164.8	-169.5	0	0	0	0	0	115.1
1248	L	29	Very low	26.7	Very low	205 Å²	205	140.6 Å²	140.6	100%	1.073	84%	0.835	S	S	*	*			trans	-52.3	0	169.8	-72.9	159.2	0	0	0	112.7	L1175	L1175-L1248 HydrophobicContact CD2-CD2 4.45Å

Retrieved 1,248 of 1,248 residues in 1838.1 ms (Link to these results)

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